[ { "path": ".gitattributes", "content": "doc/* linguist-documentation\n" }, { "path": ".github/workflows/python-publish.yml", "content": "# This workflow will upload a Python Package using Twine when a release is created\n# For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python#publishing-to-package-registries\n\n# This workflow uses actions that are not certified by GitHub.\n# They are provided by a third-party and are governed by\n# separate terms of service, privacy policy, and support\n# documentation.\n\nname: Upload Python Package\n\non:\n release:\n types: [published]\n\npermissions:\n contents: read\n\njobs:\n deploy:\n\n runs-on: ubuntu-latest\n\n steps:\n - uses: actions/checkout@v3\n - name: Set up Python\n uses: actions/setup-python@v3\n with:\n python-version: '3.x'\n - name: Install dependencies\n run: |\n python -m pip install --upgrade pip\n pip install build\n - name: Build package\n run: python -m build\n - name: Publish package\n uses: pypa/gh-action-pypi-publish@27b31702a0e7fc50959f5ad993c78deac1bdfc29\n with:\n user: __token__\n password: ${{ secrets.PYPI_API_TOKEN }}\n" }, { "path": ".github/workflows/tests.yml", "content": "name: tests\n\non:\n push:\n paths:\n - '**.py' # only run workflow when source files changed\n pull_request:\n branches:\n - master\n paths:\n - '**.py'\n\njobs:\n tests:\n runs-on: ubuntu-latest\n strategy:\n matrix:\n python-version: [\"3.9\", \"3.10\"]\n\n steps:\n - name: Check out repo\n uses: actions/checkout@v4\n\n - name: Set up Python ${{ matrix.python-version }}\n uses: actions/setup-python@v5\n with:\n python-version: ${{ matrix.python-version }}\n\n - name: Install uv\n run: pip install uv\n\n - name: Install dependencies\n run: uv pip install .[test] --system\n\n - name: Test_general\n run: pytest tests/test_all.py\n\n - name: Test_crystal\n run: pytest tests/test_crystal.py\n\n - name: Test_lattice\n run: pytest tests/test_lattice.py\n\n - name: Test_molecule\n run: pytest tests/test_molecule.py\n\n - name: Test_wyckoff\n run: pytest tests/test_wyckoff.py\n\n - name: Test_symmetry\n run: pytest tests/test_symmetry.py\n\n - name: Test_group\n run: pytest tests/test_group.py\n\n - name: Test_lego\n run: pytest tests/test_lego.py \n\n - name: Test_supergroup\n run: pytest tests/test_supergroup.py\n\n - name: Test_so3\n run: pytest tests/test_SO3.py\n\n #- name: Test_xrd\n # run: pytest tests/test_xrd.py\n\n\n\n\n" }, { "path": ".gitignore", "content": "*.py[cod]\n\n# Packages\n*.egg\n*.egg-info\ndist\nbuild\neggs\n.eggs/*\nparts\nbin\nvar\nsdist\ndevelop-eggs\n.installed.cfg\nlib\nlib64\n\n# output files\ntest_summary.txt\nout\n\n# JSmol files for flask app (VXRD)\nflask/app/static/jsmol/\n\n# VS Code\n*.code-workspace\n" }, { "path": ".pre-commit-config.yaml", "content": "# Install these hooks with `pre-commit install`.\n\nci:\n autoupdate_schedule: quarterly\n\nrepos:\n - repo: https://github.com/astral-sh/ruff-pre-commit\n rev: v0.5.0\n hooks:\n - id: ruff\n args: [--fix]\n - id: ruff-format\n\n - repo: https://github.com/pre-commit/pre-commit-hooks\n rev: v4.6.0\n hooks:\n - id: check-case-conflict\n - id: check-symlinks\n - id: check-yaml\n - id: destroyed-symlinks\n - id: end-of-file-fixer\n - id: mixed-line-ending\n - id: trailing-whitespace\n" }, { "path": ".readthedocs.yaml", "content": "# Read the Docs configuration file for Sphinx projects\n# See https://docs.readthedocs.io/en/stable/config-file/v2.html for details\n\n# Required\nversion: 2\n\n# Set the OS, Python version and other tools you might need\nbuild:\n os: ubuntu-22.04\n tools:\n python: \"3.9\"\n # You can also specify other tool versions:\n # nodejs: \"19\"\n # rust: \"1.64\"\n # golang: \"1.19\"\n\n# Build documentation in the \"docs/\" directory with Sphinx\nsphinx:\n configuration: doc/conf.py\n\n# Optionally build your docs in additional formats such as PDF and ePub\n# formats:\n# - pdf\n# - epub\n\n# Optional but recommended, declare the Python requirements required\n# to build your documentation\n# See https://docs.readthedocs.io/en/stable/guides/reproducible-builds.html\npython:\n install:\n - requirements: doc/requirements.txt\n" }, { "path": "LICENSE.txt", "content": "MIT License\n\nCopyright 2018 Scott Fredericks, Qiang Zhu\n\nPermission is hereby granted, free of charge, to any person obtaining a copy\nof this software and associated documentation files (the \"Software\"), to deal\nin the Software without restriction, including without limitation the rights\nto use, copy, modify, merge, publish, distribute, sublicense, and/or sell\ncopies of the Software, and to permit persons to whom the Software is\nfurnished to do so, subject to the following conditions:\n\nThe above copyright notice and this permission notice shall be included in all\ncopies or substantial portions of the Software.\n\nTHE SOFTWARE IS PROVIDED \"AS IS\", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR\nIMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,\nFITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE\nAUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER\nLIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,\nOUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE\nSOFTWARE.\n" }, { "path": "MANIFEST.in", "content": "include /*.py\ninclude database/*.py\ninclude database/*.csv\ninclude database/*.json\n" }, { "path": "README.md", "content": "\"PyXtal\"\n\n[![Documentation Status](https://readthedocs.org/projects/pyxtal/badge/?version=latest)](https://pyxtal.readthedocs.io/en/latest/?badge=latest)\n[![Test Status](https://github.com/MaterSim/PyXtal/workflows/tests/badge.svg)](https://github.com/MaterSim/PyXtal/actions)\n[![Download Status](https://img.shields.io/pypi/pyversions/pyxtal)](https://pypi.org/project/pyxtal/)\n[![Download Status](https://img.shields.io/pypi/v/pyxtal)](https://pypi.org/project/pyxtal/)\n[![Downloads](https://pepy.tech/badge/pyxtal)](https://pepy.tech/project/pyxtal)\n[![DOI](https://zenodo.org/badge/128165891.svg)](https://zenodo.org/badge/latestdoi/128165891)\n[![Gitter](https://badges.gitter.im/PyXtal/community.svg)](https://gitter.im/PyXtal/community?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge)\n\n\n\n## Table of content\n- [Introduction](#introduction)\n- [Quick Start](#quick-start)\n- [Current Features](#current-features)\n- [Installation](#installation)\n- [Citation](#citation)\n- [How to contribute?](#how-to-contribute)\n\n\n## Introduction\n\nPyXtal is an open source Python package which was initiated by [Qiang Zhu](http://qzhu2017.github.io) and Scott Fredericks. The goal of PyXtal is to develop a fundamental library to allow one to design the material structure with a certain symmetry constraint. These structures can exported to various structural formats for further study. See the [documentation](https://pyxtal.readthedocs.io/en/latest/) for more information.\n\nTo contribute to this project, please check [How to contribute?](#how-to-contribute).\n\n## Quick Start\n\n- [Atomic crystal](https://nbviewer.jupyter.org/github/MaterSim/PyXtal/blob/master/examples/tutorials_notebook/01_atomic_crystals.ipynb)\n- [Molecular crystal](https://nbviewer.jupyter.org/github/MaterSim/PyXtal/blob/master/examples/tutorials_notebook/02_molecular_crystals.ipynb)\n- [XRD](https://nbviewer.jupyter.org/github/MaterSim/PyXtal/blob/master/examples/tutorials_notebook/03_pxrd.ipynb)\n- [Molecular Packing](https://nbviewer.org/github/MaterSim/PyXtal/blob/master/examples/tutorials_notebook/05-crystal-packing.ipynb)\n\n## Current Features\n\n- Generation of atomic structures for a given symmetry and stoichiometry (0-3D)\n- Generation of molecular crystals (1-3D) with the support of special Wyckoff positions.\n- Structure manipulation via subgroup/supergroup symmetry relation\n- Geometry optimization from built-in and external optimization methods.\n- Internal support of ``cif`` file and many other formats via ``pymatgen`` or ``ASE``.\n- Easy access to symmetry information (e.g., Wyckoff, site symmetry and international symbols).\n- X-ray diffraction analysis and [its online application](https://vxrd.physics.unlv.edu)\n\n## Installation\n\nTo install the code, one just needs to do\n\n```sh\npip install pyxtal\n```\n\nor\n\n```sh\npip install --upgrade git+https://github.com/MaterSim/PyXtal.git@master\n```\n\nIf you want to add the Julia package install (required by the use of `pyxtal.lego` module), please use\n\n```sh\nexport INSTALL_JULIA=1 && pip install pyxtal \n```\n\nTo check if the installation is successful, run the following script,\n```python\n\nfrom juliacall import Main as jl\njl.seval(\"using CrystalNets\")\nprint(\"Success\")\n```\n\n## Citation\n\n### General PyXtal\n\nFredericks S, Parrish K, Sayre D, Zhu Q\\*(2020)\n[PyXtal: a Python Library for Crystal Structure Generation and Symmetry Analysis](https://www.sciencedirect.com/science/article/pii/S0010465520304057).\n\\[[arXiv link](https://arxiv.org/pdf/1911.11123.pdf)\\]\n\n```bib\n@article{pyxtal,\ntitle = \"PyXtal: A Python library for crystal structure generation and symmetry analysis\",\njournal = \"Computer Physics Communications\",\nvolume = \"261\",\npages = \"107810\",\nyear = \"2021\",\nissn = \"0010-4655\",\ndoi = \"https://doi.org/10.1016/j.cpc.2020.107810\",\nurl = \"http://www.sciencedirect.com/science/article/pii/S0010465520304057\",\nauthor = \"Scott Fredericks and Kevin Parrish and Dean Sayre and Qiang Zhu\",\n}\n```\n\n### Site Symmetry Representation\nLevy D, Panigrahi S-S, Kaba S-O, Zhu Q, Galkin M, Miret S, Ravanbakhsh S. (2024) \n[SymmCD: Symmetry-Preserving Crystal Generation with Diffusion Models AI for Accelerated Materials Design](https://openreview.net/forum?id=V7x2KZQn2v)\nNeurIPS 2024, \n\n```bib\n@inproceedings{\nlevy2024symmcd,\ntitle={Symm{CD}: Symmetry-Preserving Crystal Generation with Diffusion Models},\nauthor={Daniel Levy and Siba Smarak Panigrahi and S{\\'e}kou-Oumar Kaba and Qiang Zhu and Mikhail Galkin and Santiago Miret and Siamak Ravanbakhsh},\nbooktitle={AI for Accelerated Materials Design - NeurIPS 2024},\nyear={2024},\nurl={https://openreview.net/forum?id=V7x2KZQn2v}\n}\n```\n\n\n### Symmetry relation\nZhu Q, Kang B, Parrish K (2022). \n[Symmetry Relation Database and Its Application to Ferroelectric Materials Discovery](https://link.springer.com/article/10.1557/s43579-022-00268-4)\n\n```bib\n@article{zhu2022symmetry,\n title=\"Symmetry relation database and its application to ferroelectric materials discovery\",\n author=\"Zhu, Qiang and Kang, Byungkyun and Parrish, Kevin\",\n journal=\"MRS Communications\",\n volume=\"12\",\n number=\"5\",\n pages=\"686--691\",\n year=\"2022\",\n doi=\"https://doi.org/10.1557/s43579-022-00268-4\",\n```\n\n### Organic crystal packing motif\nZhu Q, Tang W-L, Hattori S. (2022). \n[Quantification of Crystal Packing Similarity from Spherical Harmonic Transform](https://pubs.acs.org/doi/10.1021/acs.cgd.2c00933)\n\n```bib\n@article{zhu2022quantification,\n title=\"Quantification of Crystal Packing Similarity from Spherical Harmonic Transform\",\n author=\"Zhu, Qiang and Tang, Weilun and Hattori, Shinnosuke\",\n journal=\"Crystal Growth \\& Design\",\n volume=\"22\",\n number=\"12\",\n pages=\"7308--7316\",\n year=\"2022\",\n doi=\"https://doi.org/10.1021/acs.cgd.2c00933\",\n}\n```\n\n## How to contribute?\n\nThis is an open-source project. Its growth depends on the community. To contribute to PyXtal, you don't necessarily have to write the code. Any contributions from the following list will be helpful.\n\n- [![Star on GitHub](https://img.shields.io/github/stars/qzhu2017/pyxtal.svg?style=social)](https://github.com/MaterSim/pyxtal/stargazers)\n the PyXtal project and recommend it to your colleagues/friends\n- Open an [![GitHub issues](https://img.shields.io/github/issues/qzhu2017/pyxtal.svg)](https://GitHub.com/MaterSim/pyxtal/issues/) to report the bug or address your wishlist or improve our documentation\n- [![GitHub forks](https://img.shields.io/github/forks/qzhu2017/pyxtal?style=social)](https://github.com/MaterSim/PyXtal/network/members) the repository and send us the pull request\n" }, { "path": "SECURITY.md", "content": "# Security Policy\n\n## Supported Versions\n\nUse this section to tell people about which versions of your project are\ncurrently being supported with security updates.\n\n| Version | Supported |\n| ------- | ------------------ |\n| 5.1.x | :white_check_mark: |\n| 5.0.x | :x: |\n| 4.0.x | :white_check_mark: |\n| < 4.0 | :x: |\n\n## Reporting a Vulnerability\n\nUse this section to tell people how to report a vulnerability.\n\nTell them where to go, how often they can expect to get an update on a\nreported vulnerability, what to expect if the vulnerability is accepted or\ndeclined, etc.\n" }, { "path": "_config.yml", "content": "markdown: GFM\n" }, { "path": "doc/Algorithm.rst", "content": "How PyXtal Works\n================\n\nPyXtal is a free, open source Python package intended to aid with crystal structure prediction and other purposes of crystal symmetry analysis. It is our aim to make our tools and theory freely available, in order to expand the knowledge and utilization of crystallographic symmetry. To this end, we outline the basic algorithms used by PyXtal. For more general information about crystallography, see the `Background and Theory `_ page.\n\nOverview\n--------\n\nIn order to generate random symmetrical crystals, PyXtal uses space groups and their Wyckoff positions as templates, then **inserts atoms (or molecules) one Wyckoff position at a time, until the desired stoichiometry is reached**. This ensures that the correct symmetry will be obtained, without the need to adjust atomic positions. Along the way, it checks that the atoms are sufficiently far apart. To generate a single random crystal, PyXtal performs roughly seven steps:\n\n.. figure:: ../images/Flowchart.png\n :height: 450 px\n :width: 300 px\n :scale: 100 %\n :align: center\n\n PyXtal Structure Generation Flowchart. \n\n\n1) Get the input parameters from the user. \n\n\n2) Check the compatibility of the stoichiometry with the space group. \n\n.. Because atoms lie in Wyckoff positions, and these can only have specific numbers of atoms in them, not every number of atoms will be able to fit into a unit cell without breaking the symmetry. To check this, we consider the full number of each type of atom, then reduce this number by the size of a Wyckoff position, beginning with the largest (general) position. If the number goes to exactly zero for each atom type, we say the stoichiometry is compatible with the space group. Additionally, we check the degrees of freedom of each Wyckoff position, so as to avoid placing multiple atoms in the same location. For molecular crystals, we also check whether the molecules can be symmetrically oriented into each Wyckoff position.\n\n3) Generate a random lattice consistent with the space group. \n\n.. The cell parameters are based on both the crystal class (which determines the latice angles) and the stoichiometry (which determines the volume). Where there is some leeway for the lattice parameters, a value will be randomly chosen, with preference for more symmetrical values. If the user has defined a lattice, that will be used instead. For randomly generated lattices, we also check that the atoms or molecules can fit into the unit cell without extending outside of it.\n\n4) Begin placing atoms into Wyckoff positions, one atomic specie at a time. \n\n.. First we check the multiplicity of the general Wyckoff position. If at least this number of atoms still needs to be added, then we place the atoms into the general position. If fewer atoms are needed, we instead place the atoms into a special Wyckoff position, beginning with the largest, then decreasing in multiplicity as needed. We choose a random vector between [0,0,0] and (1,1,1), and use this as the generating point for the atoms in the Wyckoff position.\n\n5) Check that the atoms in the single Wyckoff position are not too close together. If the minimum distance is smaller than some tolerance (based on the atomic species), then we merge the Wyckoff position into a smaller special position. \n\n.. To do this, we first group atoms together based on the shortest distances between them, then replace the clusters with single atoms at the clusters' geometric centers. We check the Wyckoff position of the resulting cluster, then continue to merge as needed until the atoms are sufficiently far apart.\n\n6) Check the inter-atomic distance between the newly generated Wyckoff position and the previously generated positions. If the distances are too close, we choose a new generating point within the same original Wyckoff position. For molecular crystals, we also attempt to reorient the molecule, so as to reduce the distance between atoms.\n\n\n7) Continue to place Wyckoff positions and species into the crystal, until the proper stoichiometry is reached. If any step between 3-6 fails, we repeat it, up to a pre-determined maximum number of attempts. \n\n.. If this still fails, we go to the previous step and retry, up to a different maximum number of attempts. If we succeed, we store the information within the random_crystal class and set random_crystal.valid to True. If we fail after the maximum number of attempts, we output an error message and set random_crystal.valid to False.\n\nIf the generation succeeds, the resulting crystal can be (energetically) optimized and compared with other possible structures. After many attempts, the lowest-energy structure will be the one most likely to exist at the specified conditions. This can be used, for example, to determine the phase diagram of a solid without the need to perform any experiments.\n\nNext, we explain the steps listed above in greater detail.\n\nUser Input\n----------\nThis includes the crystal's stoichiometry, space group, and volume factor. Optionally, the desired lattice and allowed inter-atomic distances can also be defined (which is useful for testing at higher pressures). Otherwise, these parameters will be chosen automatically.\n\n\nChecking Compatibility\n----------------------\nBefore attempting to generate a structure, PyXtal must make sure it is possible to do so. The WP's in different space groups have different multiplicities. As a result, not every number of atoms is compatible with every space group. For example, consider the space group ``Pn-3n (222)``. \n\n::\n\n $ pyxtal_symmetry -s 222\n\n -- Space group # 222 (Pn-3n)--\n 48i site symm: 1\n ...\n ...\n ...\n 6b site symm: 42 . 2\n 3/4, 1/4, 1/4\n 1/4, 3/4, 1/4\n 1/4, 1/4, 3/4\n 1/4, 3/4, 3/4\n 3/4, 1/4, 3/4\n 3/4, 3/4, 1/4\n 2a site symm: 4 3 2\n 1/4, 1/4, 1/4\n 3/4, 3/4, 3/4\n\nThe smallest Wyckoff position is ``2a``, with the next smallest being ``6b``. It is impossible to create a crystal with 4 atoms in the unit cell for this symmetry group, because no combination of Wyckoff positions adds up to 4. The position ``2a`` cannot be repeated, because it falls on the exact coordinates ``(1/4, 1/4, 1/4)`` and ``(3/4, 3/4, 3/4)``. A second set of atoms in the 2a position would overlap the atoms in the first position, but this is not physically possible.\n\nThus, it is necessary to check the input stoichiometry against the Wyckoff positions of the desired space group. To accomplish this, PyXtal iterates through all possible Wyckoff position combinations within the confines of the stoichiometry. As soon as one valid combination is found, the check returns ``True``. If no valid combination is found, the check returns ``False``, and the generation attempt fails with a warning.\n\nSome space groups allow valid combinations of WP's, but may not give many degrees of freedom for generation. It may also be the case that the allowed combinations result in atoms which are too close together. In these cases, PyXtal will attempt generation as usual: until the maximum limit is reached, or until a successful generation occurs. If generation repeatedly fails for a given combination of space group and stoichiometry, the user should make note and avoid the combination going forward.\n\nLattice Generation\n------------------\nThe first step in PyXtal's structure generation is the choice of unit cell. Depending on the symmetry group, a specific type of lattice must be generated. For all crystals, the conventional cell choice is used to avoid ambiguity. The most general case is the triclinic cell, from which other cell types can be obtained by applying various constraints.\n\nTo generate a triclinic cell, 3 real numbers are randomly chosen (using a Gaussian distribution centered at 0) as the off-diagonal values for a 3x3 shear matrix. Treating this matrix as a cell matrix, one obtains 3 lattice angles. For the lattice vector lengths, a random 3-vector between (0, 0, 0) and (1, 1, 1) is chosen (using a Gaussian distribution centered at (0.5, 0.5, 0.5)). The relative values of the x, y, and z coordinates are used for a, b, and c respectively, and scaled based on the required volume.\n\nFor other cell types, any free parameters are obtained using the same methods as for the triclinic case, along with any necessary constraints. In the tetragonal case, for example, all angles must be 90 degrees. Thus, only a random vector is needed to generate the lattice constants.\n\nFor molecular crystals, the issue of generating the lattice is also dependent on molecular orientation. Thus, the lattice must be checked for every molecule in the crystal. To do this, the atoms in the original molecule are checked against the atoms in periodically translated copies of the molecule. Here, standard atom-atom distance checking is used.\n\n\nGeneration of Wyckoff Positions\n-------------------------------\nThe central building block for crystals in PyXtal is the Wyckoff position (WP). Once a space group and lattice are chosen, WP's are inserted one at a time to add structure.\n\nPyXtal starts with the largest available WP, which is the general position of the space group. If the number of atoms required is equal to or greater than the size of the general position, the algorithm proceeds. If fewer atoms are needed, the next largest WP (or set of WP's) is chosen, in order of descending multiplicity. This is done to ensure that larger positions are preferred over smaller ones; this reflects the greater prevalence of larger multiplicities both statistically and in nature.\n\nChecking Inter-atomic Distances\n-------------------------------\nTo produce structures with realistic bonds and bond lengths, the generated atoms should not be too close together. In PyXtal this means that by default, two atoms should be no closer than the covalent bond length between them. However, for a given application the user may decide that shorter or longer cutoff distances are appropriate. For this reason, PyXtal has a custom tolerance matrix class which allows the user to define the distances allowed between any two types of atoms.\n\nBecause crystals have periodic symmetry, any point in a crystal actually corresponds to an infinite lattice of points. Likewise, any separation vector between two points actually corresponds to an infinite number of separation vectors. For the purposes of distance checking, only the shortest of these vectors are relevant. When a lattice is non-Euclidean, the problem of finding shortest distances with periodic boundary conditions is non-trivial, and the general solution can be computationally expensive \\cite{LatticeProblem}. So instead, an approximate solution is used based on assumptions about the lattice geometry:\n\nFor any two given points, PyXtal first considers only the separation vector which lies within the ``central`` unit cell spanning between (0, 0, 0) and (1, 1, 1). For example, if the original two (fractional) points are (-8.1, 5.2, -4.8) and (2.7, -7.4, 9.3), one can directly obtain the separation vector (-10.8, 12.6, -14.1). This is then translated to the vector (0.2, 0.6, 0.9), which lies within the central unit cell. PyXtal also considers those vectors lying within a 3x3x3 supercell centered on the first vector. These would include (1.2, 1.6, 1.9), (-0.8, -0.4, -0.1), (-0.8, 1.6, 0.9), etc. This gives a total of 27 separation vectors to consider. After converting to absolute coordinates, one can calculate the Euclidean length of each of these vectors and thus find the shortest distance.\n\nNote that this does not work for certain vectors within some highly distorted lattices. Often the shortest Euclidean distance is accompanied by the shortest fractional distance, but whether this is the case or not depends on how distorted the lattice is. However, because all lattices are required to have no angles smaller than 30 degrees or larger than 150 degrees, this is not an issue.\n\n.. figure:: ../images/skew.png\n :height: 700 px\n :width: 800 px\n :scale: 50 %\n :align: center\n\n Distorted Unit Cell. Due to the cell's high level of distortion, the closest neighbors for a single point lie more than two unit cells away. In this case, the closest point to the central point is located two cells to the left and one cell diagonal-up. To find this point using PyXtal's distance checking method, a 5x5x5 unit cell would be needed. For this reason, a limit is placed on the distortion of randomly generated lattices.\n\nFor two given sets of atoms (for example, when cross-checking two WP's in the same crystal), one can calculate the shortest inter-atomic distances by applying the above procedure for each unique pair of atoms. This only works if it has already been established that both sets on their own satisfy the needed distance requirements.\n\nThanks to symmetry, it is not necessary to calculate every atomic pair between two Wyckoff positions. For two Wyckoff positions A and B, one need only calculate either the separations between one atom in A and all atoms in B, or one atom in B and all atoms in A. This is because the symmetry operations which duplicate a point in a Wyckoff position also duplicate the separation vectors associated with that point. This is also true for a single Wyckoff position; for example, in a Wyckoff position with 16 points, only 16 calculations are needed, as opposed to 256. This can significantly speed up the calculation for larger Wyckoff positions.\n\nFor a single WP, it is necessary to calculate the distances for each unique atom-atom pair, but also for the lattice vectors for each atom by itself. Since the lattice is the same for all atoms in the crystal, this check only needs to be performed on a single atom of each specie. For atomic crystals, this just means ensuring that the generated lattice is sufficiently large.\n\n\n\nFor molecules, the process is slightly more complicated. Depending on the molecule's orientation within the lattice, the inter-atomic distances can change. Additionally, one must calculate the distances not just between molecular centers, but between every unique atom-atom pair. This increases the number of needed calculations, in rough proportion to the square of size of the molecules. As a result, this is typically the largest time cost for generation of molecular crystals.\n\n\nMerging and Checking Wyckoff Positions\n--------------------------------------\nOnce a WP is chosen, a random 3-vector between (0, 0, 0) and (1, 1, 1) is created. This acts as the generating point. Projecting this vector into the WP, one obtains a set of coordinates in real space. Then, the distances between these coordinates are checked. If the atom-atom distances are all greater than a pre-defined limit, the WP is kept and the algorithm continues. If any of the distances are too small, it is an indication that the WP would not occur with that generating point. In this case, the coordinates are merged together into a smaller WP, if possible. This merging continues until the atoms are no longer too close together (see below).\n\n.. figure:: ../images/merge.png\n :height: 700 px\n :width: 800 px\n :scale: 80 %\n :align: center\n\n Wyckoff Position Merging Example. Shown are possible mergings of the general position 8c of the 2D point group 4mm. Moving from 8c to 4b (along the solid arrows) requires a smaller translation than for 4a (along the dashed arrows). Thus, if the atoms in 8c were too close together, PyXtal would merge them into 4b instead of 4a. The atoms could be further merged into position 1o by following the arrows shown in the bottom right image.\n\n\n\nTo merge into a smaller position, the original generating point is projected into each of the remaining WP's. The WP with the smallest translation between the original point and the transformed point is chosen, so long as the new WP is a subset of the original one, and so long as the new points are not too close together. If the atoms are still too close together, the WP is discarded and another attempt is made.\n\nOnce a satisfactory WP has been filled, the inter-atomic distances between the current WP and the already-added WP's are checked. If all distances are acceptable, the algorithm continues. More WP's are then added as needed until the desired number of atoms has been reached. At this point, either a satisfactory structure has been generated, or the generation has failed. If the generation fails, then either smaller distances tolerances or a larger volume factor might increase the chances of success. However, altering these quantities too drastically may result in less realistic crystals. Common sense and system-specific intuition should be applied when adjusting these parameters.\n\nFinding Valid Molecular Orientations\n------------------------------------\nIn crystallography, atoms are typically assumed to be point particles with no well-defined orientation. Since the object occupying a crystallographic Wyckoff position is usually an atom, it is further assumed that the object's symmetry group contains the Wyckoff position's site symmetry as a subgroup. If this is the case, the only remaining condition for occupation of a Wyckoff position is the location within the unit cell. However, if the object is instead a molecule, then the Wyckoff position compatibility is also determined by orientation and shape.\n\nTo handle the general case, one must ensure that the object 1) is sufficiently symmetric, and 2) is oriented such that its symmetry operations are aligned with the Wyckoff site symmetry. The result is that different point group symmetries are compatible with only certain Wyckoff positions. For a given molecule and Wyckoff position, one can find all valid orientations as follows:\n\n1. Determine the molecule's point group and point group operations. This is currently handled by Pymatgen's build-in `PointGroupAnalyzer class `_, which produces a list of symmetry operations for the molecule.\n\n2. Associate an axis to every symmetry operation. For now, it can be assumed that the axis is centered at the origin. For a rotation or improper rotation, use the *rotational axis*. For a mirror plane, use *an axis perpendicular to the plane*. Note that inversional symmetry does not add any constraints, since the inversion center is always located at the molecule's center of mass.\n\n3. Find up to two non-collinear axes in the site symmetry and calculate the angle between them. Find all conjugate operations (with the same order and type) in the molecular point symmetry with the same angle between the axes, and store the rotation which maps the pairs of axes onto each other. For example, if the site symmetry were ``mmm``, then choose two reflectional axes, say the x and y axes or the y and z axes. Then, look for two reflection operations in the molecular symmetry group. If the angle between these two operation axes is 90 degrees, store the rotation which maps the two molecular axes onto the Wyckoff axes for every pair of reflections with 90 degrees separating them.\n\n4. For a given pair of axes, there are two rotations which can map one onto the other, with opposite directions of the molecular axis. Depending on the molecular symmetry, these two rotations may produce the same molecular orientation. Using the list of rotations calculated in step 3, remove redundant orientations which are equivalent to each other.\n\n5. For each found orientation, check that the rotated molecule is symmetric under the Wyckoff site symmetry. To do this, simply check the site symmetry operations one at a time by transforming the molecule and checking for equivalence with the untransformed molecule.\n\n6. For the remaining valid rotations, store the rotation matrix and the number of degrees of freedom. If two axes were used to constrain the molecule, then there are no degrees of freedom. If one axis is used, then there is one rotational degree of freedom, and store the axis about which the molecule may rotate. If no axes are used (because there are only point operations in the site symmetry), there are three (stored internally as two) degrees of freedom, meaning the molecule can be rotated freely in 3 dimensions.\n\nPyXtal performs these steps for every Wyckoff position in the symmetry group and stores the nested list of valid orientations. When a molecule must be inserted into a Wyckoff position, an allowed orientation is randomly chosen from the list. This forces the overall symmetry group to be preserved, because symmetry-breaking positions are not allowed.\n\nIt is worth noting that the general position of any symmetry group always has site symmetry group 1. This means that any molecule can always be inserted into the general position with any orientation. However, many real crystals have molecules located in special positions, and thus this method alone is insufficient for generating realistic structures [1]_.\n\nAnother important consideration is whether a symmetry group will produce inverted copies of the constituent molecules. In many cases, a chiral molecule's mirror image will possess different chemical or biological properties \\cite{chirality}. For pharmaceutical applications in particular, one may not want to consider crystals containing mirror molecules. By default, PyXtal does not generate crystals with mirror copies of chiral molecules. The user can choose to allow inversion if desired.\n\n\n.. [1] U. M. ller, “3.2.4. molecular symmetry,”International Tables for Crystallography, vol. A, p.72776, 2016.\n" }, { "path": "doc/Background.rst", "content": "Background and Theory\n=====================\nThis is a pedagogical introduction to crystallography and basic group theory.\nFor information about how PyXtal works specifically, see the\n`Algorithm `_ page.\n\n\nCrystals and Structures\n-----------------------\nWhen studying solids, it is often useful to describe a material's structure at\nthe atomic level. From this description one can (in theory) determine the\nmaterial's physical properties, including mechanical strength, electrical and\nthermal conductivity, melting point, etc. Due to the near-infinite number of\npossible materials and atomic geometries, it is necessary to have a consistent\nmathematical framework. This is described by *crystallography*.\n\nFor an atomic structure, we could describe the geometry by specifying the type\nand position of every atom. This works alright for molecules, and is in fact how\ncomputers typically encode molecules. But for an ideal crystal, which is\ninfinitely large, it is impossible to describe where each individual atom lies.\nFortunately, because crystals are symmetrical, we can specify one part of the\ncrystal, and then use the symmetry operations to *generate* the rest of the\ncrystal. This creates a perfectly symmetrical structure which is infinitely\nlarge in size. Such objects do not exist in nature, but they are nevertheless\nuseful for understanding small parts of real, imperfect crystals. So, we call\nthis infinite and symmetrical object an *ideal crystal*.\n\nMost inorganic materials are formed by many small (nearly) ideal crystals called\n*grains*. These grains may have different shapes, sizes, and orientations, but\neach grain has the same crystal structure at the inter-atomic scale. If we can\ndetermine this crystal structure, it becomes possible to predict the way that\nthe grains form and interact with each other. From this, we can go on to predict\nproperties at larger and larger scales, and determine how useful a material will\nbehave in different physical situations. Therefore, determining a material's\nsmall-scale crystal structure is absolutely essential for modern materials\nscience and engineering.\n\nAt different pressures and temperatures, a material may go through a solid\n*phase transition*, and take on a different crystal structure. So, one job of\ncrystallographers is to determine how a system will change under different\nconditions. Often, new structures will form at high pressure, and sometimes\nthese structures have vastly superior properties (think diamond .v.s graphite).\nThus, high pressure physics forms an active branch of physics and chemistry,\nand is a potential avenue for finding high temperature superconductors.\n\nPeriodicity, Lattices, and Unit Cells\n-------------------------------------\n\nFormally, an ideal crystal is an atomic structure that is periodic in three\ndimensions. This means that when we translate the structure by a certain amount\n(in any one of 3 directions unique to the crystal), the crystal will look the\nsame. This can be pictured in a few simple steps:\n\n1. Define a small parallelepiped-shaped box.\n2. Put atoms into the box (You can put as few or as many atoms as you like.\n\n.. image:: ../images/unit_cell1.png\n :height: 444 px\n :width: 576 px\n :scale: 35 %\n :alt: single unit cell\n :align: center\n\n3. Make a copy of the box and place it adjacent to the original box.\n\n.. image:: ../images/unit_cell2.png\n :height: 763 px\n :width: 995 px\n :scale: 35 %\n :alt: repeated unit cell\n :align: center\n\n4. Make a copy of the copy, and place that adjacent to the previous one, but\nalong a different axis.\n\n.. image:: ../images/unit_cell3.png\n :height: 763 px\n :width: 983 px\n :scale: 35 %\n :alt: repeated unit cell\n :align: center\n\n5. Repeat step 4 until you have filled all of space.\n\n.. image:: ../images/unit_cell4.png\n :height: 763 px\n :width: 1095 px\n :scale: 35 %\n :alt: full crystal\n :align: center\n\nWe say that the resulting object has *translational symmetry*, or that it is\n*periodic*. We can be more specific by defining the vectors of translational\nsymmetry. For a given crystal, there are 3 such linearly independent vectors.\nThese 3 vectors, placed into a matrix, define what is called the unit cell.\nAlternatively, we can define the unit cell using the lengths of each side of the\nbox (usually called a, b, c), along with the angles between them (usually called\n:math:`alpha, beta, gamma`). These 6 values are called the cell parameters. The\nunit cell is any parallepiped-shaped part of the crystal which can be used to\ngenerate the rest of the crystal through translations alone. Any unit cell which\nhas the smallest possible volume is called a *primitive cell*.\n\nNote: a given crystal can have multiple ways to define a primitive cell, and\nthere is not always a clearly preferred choice. Consider a 2-dimensional square\nlattice. You could just as well define the lattice using parallelograms which\nrun along the diagonal lines:\n\n.. image:: ../images/equivalent_lattices.png\n :height: 488 px\n :width: 1604 px\n :scale: 35 %\n :alt: equivalent lattices\n :align: center\n\nTo avoid this confusion, there is a set of standards (defined in the\n`International Tables of Crystallography `_) which is\ntypically used. A cell based on these standards is called the *conventional cell*.\nIn many cases, the conventional cell is not actually a primitive cell. Instead,\nthe conventional cell may have extra atoms which exist in specific locations\nwithin the cell. So the cell type is determined both by the cell parameters,\nand by any additional atomic sites within the cell.\n\nDifferent cell parameters lead to different rotational symmetries of the unit\ncell (we will discuss this more below). Based on these symmetries, unit cells\ncan be divided into seven different ``crystal classes``. Each crystal class has\na different range of allowable cell parameters; triclinic is the general class,\nrequiring no symmetry. Combining these restrictions with possible extra lattice\npositions, we get 14 possible types of lattices, called the *Bravais lattices*.\nWe list these here:\n\n.. list-table::\n\n * - .. figure:: ../images/triclinic.png\n :scale: 80% %\n :figclass: align-center\n\n Triclinic\n\n - .. figure:: ../images/monoclinic_P.png\n :scale: 80% %\n :figclass: align-center\n\n P-monoclinic\n\n - .. figure:: ../images/monoclinic_C.png\n :scale: 80 %\n :figclass: align-center\n\n C-monoclinic\n\n - .. figure:: ../images/orthorhombic_P.png\n :scale: 80 %\n :figclass: align-center\n\n P-orthorhombic\n\n * - .. figure:: ../images/orthorhombic_C.png\n :scale: 80 %\n :figclass: align-center\n\n C-orthorhombic\n\n - .. figure:: ../images/orthorhombic_I.png\n :scale: 80 %\n :figclass: align-center\n\n B-orthorhombic\n\n - .. figure:: ../images/orthorhombic_F.png\n :scale: 80 %\n :figclass: align-center\n\n F-orthorhombic\n\n - .. figure:: ../images/tetragonal_P.png\n :scale: 80 %\n :figclass: align-center\n\n P-tetragonal\n\n.. list-table::\n\n * - .. figure:: ../images/tetragonal_I.png\n :scale: 100 %\n :figclass: align-center\n\n B-tetragonal\n\n - .. figure:: ../images/hexagonal.png\n :scale: 100 %\n :figclass: align-center\n\n Hexagonal\n\n - .. figure:: ../images/rhombohedral.png\n :scale: 100 %\n :figclass: align-center\n\n Rhombohedral\n\n * - .. figure:: ../images/cubic_P.png\n :scale: 100 %\n :figclass: align-center\n\n R-cubic\n\n - .. figure:: ../images/cubic_I.png\n :scale: 100 %\n :figclass: align-center\n\n Body-centered cubic\n\n - .. figure:: ../images/cubic_F.png\n :scale: 100 %\n :figclass: align-center\n\n Face-centered cubic [#]_\n\nMuch like squares can be considered a special case of rectangles, all unit cells\ncan be thought of as special cases of triclinic cells. Cubic cells are a subset\nof tetragonal cells, tetragonal cells are a subset of orthorhombic cells, and so\non. The hexagonal and trigonal lattices are somewhat special cases. They can be\ngenerated using either trigonal/hexagonal prisms, or using the standard\nparallelepiped shape. For consistency, the parallelepiped is always used. Note\nthat despite using a parallelepiped, this is still called a hexagonal cell choice.\nSome lattices can be generated using a rhombohedral unit cell. Such space groups\nbegin with an ``R``, and always have trigonal symmetry. For these cases, we\nagain use the hexagonal cell.\n\nWhenever possible, PyXtal uses the same choices of unit cell as the Bilbao\nCrystallographic Server, which in turn uses the standard conventional cell.\nFor a complete list of the cell choices used by PyXtal, see the\n`Group Settings `_ page.\n\nTypically, to describe coordinates within a crystal, we use what are called\n*fractional coordinates*. Fractional coordinates use the lattice vectors as the\nbasis, as opposed to *absolute coordinates*, which use Euclidean space as the\nbasis. This makes it easier to describe two similar structures that differ only\nin their lattice values. Unless otherwise specified, any listed coordinates are\nfractional coordinates.\n\n.. image:: ../images/fractional.png\n :height: 351 px\n :width: 481 px\n :scale: 100 %\n :alt: fractional vs absolute coordinates\n\nIt is important to note that when periodicity is present, multiple coordinates\ncan actually correspond to the same point, at least in notation. It is common\npractice to convert all coordintaes to lie within the range [0, 1) for periodic\naxes. So, for example, if we have a point at ``(1.4,-0.3,0.6)``, it will usually\nbe written as ``(0.4,0.7,0.6)``. This is because it is assumed that each unit\ncell is the same. In other words, an atom located at ``(1.4,-0.3,0.6)`` implies\nthat another atom is located at ``(0.4,0.7,0.6)``. So, it is more convenient to\nonly consider the unit cell which lies between ``(0,0,0)`` and ``(1,1,1)``.\n\nSymmetry Operations\n-------------------\n\nTranslations are just one kind of transformation operation. More generally, we\ncan perform any 3-dimensional transformation which preserves the lengths and\nangles between atoms. This means we can also apply rotations, reflections, and\ninversions, as well as any combination of these. Note that successive operations\ndo not generally commute. That is, the order of operations determines the final\noutcome.\n\nA symmetry operation is any transformation which leaves the original structure\nunchanged. In other words, if the structure looks the same before and after a\ntransformation, then that transformation is a symmetry operation of the object.\nThis includes the identity operation (doing nothing to the object), which means\nthat every object has at least a trivial symmetry.\n\nWe can artificially split a transformation into two parts: the rotational and\ninversional part (given by a 3x3 matrix), and the translational part (given by a\n3D vector, specifically a 3x1 column matrix). Often, we denote this as a\nmatrix-column pair ``(P,p)`` or ``(P|p)``, where the capital letter *P* represents\nthe rotation matrix, and the lowercase letter *p* represents the translation vector.\n\nWe can define the 3x3 rotation matrix by using 3 orthogonal unit vectors as the\ncolumns. The resulting matrix is orthogonal, meaning the determinant is either\n+1 or -1. If only a rotation is applied, then the determinant is +1, and if an\ninversion is applied, the determinant is -1. If an object has no symmetry\noperations with determinant -1, it is said to be **chiral**. In this case, the\nobject's mirror image is different from the original, and cannot be rotated to\nmatch its **twin**. This is especially important for molecules with biochemical\napplications, since the mirror molecule may have a different effect.\n\nNow, we can define how one operation is applied to another. We consider two\noperations: ``(P,p)`` and ``(Q,q)``. If we first apply ``(P,p)``, followed by\n``(Q,q)``, then we get a new operation, which we will call ``(R,r): (Q,q)(P,p) = (R,r)``.\nNote that we apply operations from the left. Then, the relationships are:\n\n``R = Q*P``\n\n``r = Q*p + q``\n\nwhere * denotes standard matrix multiplication. From this definition, we see that\nthe rotation is always applied first, followed by the translation. This rule\napplies for multiple operations as well; with 3 operations ``(R,r)(Q,q)(P,p)``,\nwe first apply ``(P,p)``, then ``(Q,q)``, then ``(R,r)``.\n\nAlternatively, the matrix-column pair can be **combined** into a single 4x4\nmatrix. We simply place the vector to the right of the rotation matrix, place\n0's on the bottom row, and place a 1 in the lower right-hand corner:\n\n.. image:: ../images/matrix4x4.png\n :height: 343 px\n :width: 828 px\n :scale: 50%\n :alt: fractional vs absolute coordinates\n\nThis matrix is called an ``affine transformation matrix``. With it, we can apply\noperations using a single matrix multiplication operation. Although this may\nseem like just a mathematical trick, the affine matrix notation highlights the\ngroup structure of the transformations, as it allows translations and rotations\nto be placed on equal footing. Furthermore, we can use the additional dimension\nto represent time: the '1' value can be thought of as a single step forward in\ntime, and thus we can define both rotational and translational reference frames\n(and equivalently, torques and forces) with a single 4x4 matrix. Objects which\nare (periodically) symmetric in time are called time crystals. Such objects have\nonly recently been synthesized in the lab, and there is likely more research to\nbe done. However, for most applications in crystallography, time is not a factor,\nand we consider only spatial symmetries.\n\nSometimes crystallographers express an affine transformation as a list of letters\nand numbers, separated by commas (for example, ``x,y,z``). In this notation, the\nfirst, second, and third positions denote what happens to the unit x, y, and z\naxes, respectively. So if we want to perform an inversion, we replace each axis\nwith its opposite. Then, ``x,y,z`` becomes ``-x,-y,-z``. So, you can use\n``-x,-y,-z`` to represent an inversion. Similarly, ``y,-x,z`` would represent a\n90 degree rotation about the z axis (using the right hand rule). You can also\nmap to a linear combination of axes, or add a constant value. So, you might see\nsomething like ``x-y,x,z+1/2``. Here, we just follow the same procedure: x, which\nis the vector (1,0,0) is mapped onto ``x-y``, which is the vector ``(1,-1,0)``.\n``y (0,1,0)`` is mapped onto ``x (1,0,0)``, and ``z (0,0,1)`` is mapped onto\n``z+1/2 (0,0,1)``, or in the 4x4 notation, ``(0,0,1,.5)``. To express the\naddition of a constant (in this case 1/2 for the z-axis), the right-hand side of\nthe 4x4 matrix is used. So, we would write ``x-y,x,z+1/2`` as:\n\n.. image:: ../images/affine_matrix.png\n :height: 126 px\n :width: 174 px\n :scale: 100%\n :alt: [[1,-1,0,0],[1,0,0,0],[0,0,1,0.5],[0,0,0,1]]\n\n\nNote that the mapped vectors are written as rows, NOT columns. So, ``x-y`` is\nwritten on the first row as ``(1,-1,0,0)``. Again, the bottom row is always\n``(0,0,0,1)``, so that matrix multiplication is preserved.\n\nGroups\n------\n\nSymmetry operations have several nice properties, and this allows certain sets\nof them to be classified as a mathematical object called a group. There are\nseveral simple and intuitive examples of groups, which we will discuss below.\nFormally, a group G is a set of mathematical objects (called elements) with 4\nproperties:\n\n1) There is a binary operation which maps any two elements in the set onto a\nthird element which is also in the set: ``A*B = C``. The operation must be\ndefined for every possible pair on the set, and must map onto an element which\nis inside of the set.\n\n2) There must be exactly one identity element ``I`` which maps every element of\nthe set onto itself: ``A*I = I*A = A`` for every A in G.\n\n3) Every element ``A`` must have an inverse ``A^-1``, such that multiplication\nby the inverse gives the identity: ``A*A^-1 = A^-1*A = I``.\n\n4) The operation * must be associative. That is, ``(A*B)*C = A*(B*C)``.\n\nNote that commutativity is not a requirement for groups, but associativity is.\nAnticommutativity has important implications for describing rotations and angular\nmomentum in 3 dimensions, which are beyond the scope of this study.\n\nOne of the simplest examples of a group is the additive group of real integers\n``(Z,+)``. Here, the set is that of the integers ``(-1, 0, 1, ...)``, and the\noperation is addition. Here, the inverse of a number is just its negative.\nFor example, the inverse of -2 is 2. One can easily verify that the 4 properties\nlisted above hold true for this group. Similarly, we can consider the additive\ngroup of real numbers ``(R,+)``, or the additive group of complex numbers ``(C,+)``.\n\nHowever, if we replace addition with multiplication, then we no longer have a\ngroup, because the element 0 does not have a multiplicitive inverse: any number\nmultiplied by 0 is 0, but any number divided by 0 is undefined. We can fix this\nby considering the multiplicative group of all numbers except for 0. Or,\nequivalently, we can consider the multiplicitave group exp(x), where x is any\ncomplex number. Then, the inverse is defined as exp(-x), and the identity\nelement is exp(0) = 1.\n\nInterestingly, the real numbers are a subset of the complex numbers, and yet\nboth the complex numbers and the real numbers form groups in their own right.\nIn this case, we call the real numbers a subgroup of the complex numbers.\nLikewise, we call the complex numbers a supergroup of the real numbers. More\nspecifically, we say that the real numbers are a proper subgroup of the complex\nnumbers, because there are fewer real numbers than complex numbers. Likewise,\nthe complex numbers form a proper supergroup of the real numbers. So, a group is\nalways both a subgroup and a supergroup of itself, but is never a proper\nsubgroup or proper supergroup of itself.\n\nThese are so far all examples of infinite groups, since there are infinitely\nmany points on the number line. However, there also exist finite groups. For\nexample, consider the permutation group of 3 objects (we'll call them ``a``,\n``b``, and ``c``). Our group elements are:\n\n::\n\n 1: (a,b,c)\n 2: (a,c,b)\n 3: (b,a,c)\n 4: (b,c,a)\n 5: (c,a,b)\n 6: (c,b,a)\n\nAs you can see, there are only 6 elements in this group. Element (1) is the\nidentity, as it represents keeping ``a``, ``b``, and ``c`` in their original\norder. Element (2) represents swapping ``b`` and ``c``, element (3) represents\nswapping ``a`` and ``b``, and so on.\n\nIn general, we call the number of elements in a group the order of that group.\nIn the example above, the order is 6. If there are an infinite number of elements\nin a group (for example, the additive group of real numbers), we say the group\nhas infinite order. A group of order 1 is called a trivial group, because it has\nonly one element, and this must be the identity element. Furthermore, because\nevery group has an identity element, every group also contains a trivial group\nas a subgroup.\n\nSometimes, it is inconvenient to list every member of a group. Instead, it is\noften possible to list only a few elements, which can be used to determine, or\n**generate** the other elements. These chosen elements are called generators.\nFor example, consider elements (2) and (3) in the permutation group shown above.\nWe can define the remaining elements (1, 4, 5, and 6) starting with only (2) and\n(3) (with operations acting from the left):\n\n::\n\n 2 * 2 = 1 : (a,c,b) * (a,c,b) = (a,b,c)\n 2 * 3 = 4 : (a,c,b) * (b,a,c) = (b,c,a)\n 3 * 4 = 6 : (b,a,c) * (b,c,a) = (c,b,a)\n 6 * 2 = 5 : (c,b,a) * (a,c,b) = (c,a,b)\n\nThus, we say that (2) and (3) are generators of the group. Typically, there is\nnot a single **best** choice of generators for a group. We could just as easily\nhave chosen (2) and (6), or (4) and (3), or some other subset as our generators.\n\nSymmetry Groups\n---------------\n\nOne can verify that the four properties of groups listed above also hold for our\n4x4 transformation matrices. Thus the set of all 3D transformations (with 4x4\nmatrix multiplication as our operation) forms a group. Because of this, the tools\nof group theory become available.\n\nWhen we want to define the symmetry of an object, we specify the object's\nsymmetry group. A symmetry group is just the set of all of the object's symmetry\noperations (described above). It turns out, the set of all symmetry operations\nfor an object always forms a group. The group properties (2-4) hold because we\nare using 4x4 transformation matrices, which are already a group. Property (1)\nholds because a symmetry group is always a closed set. This is because performing\nany symmetry operations always brings us back to our original state, and\ntherefore combining multiple symmetry operations also brings us back to the\noriginal state. Thus, combinations of symmetry operations are themselves symmetry\noperations, and are therefore elements of the object's symmetry group.\n\nThe simplest 3D symmetry group is the trivial group (called \"1\"). This group has\nonly the identity transformation I, which means that it corresponds to a\ncompletely asymmetrical object. For such an object, there is no transformation\n(besides the identity) which brings the object back to its original state. Most\nmolecules have at least some rotational symmetry, and crystals always have at\nleast translational symmetry, so we will not encounter this group very often.\n\nOn the other hand, we can consider empty 3D space, which is perfectly symmetrical\n(note: this does not apply to actual empty space, which contain gravitational\nand quantum fields). The symmetry group of empty space includes not only\nrotations and translations, but also scaling and shearing, since **nothing** will\nalways be mapped back onto **nothing**.\n\n\nNote that only empty space, or other idealized objects (including some fractals)\ncan have scaling symmetry. For atomic structures, we will never encounter this.\nHowever, shear symmetry is possible for lattices. As an example, consider the\ndifferent choices for the primitive cell shown in the section above. These\ndifferent primitive cells can be mapped onto each other using shear\ntransformations. It is important to note that in general only simple lattices\nhave this shearing symmetry; if there are atoms inside of the lattice, they may\nnot map onto other atoms in the crystal.\n\nWe can also define symmetry groups for objects of arbitrary dimension. A simple\nexample is the equilateral triangle, which has a 3-fold rotational symmetry, as\nwell as 3 reflectional symmetries. A slightly more complex example is the regular\nhexagon, which has all of the symmetries of the triangle, but also 6-fold and\n2-fold rotational symmetry, and additional reflectional symmetries. Combining\nrotation and reflection, the hexagon also has the inversion symmetry:\n\n.. list-table::\n\n * - .. figure:: ../images/triangle.png\n :scale: 75% %\n :figclass: align-center\n\n triangular symmetry\n\n - .. figure:: ../images/hexagon.png\n :scale: 40% %\n :figclass: align-center\n\n hexagonal symmetry\n\n\n\n\nIt takes practice to develop an intuition for finding symmetries, but the results\ncan be very rewarding. Often, a symmetry can be utilized to lessen the work\nneeded to solve a problem, sometimes even reducing the problem to a trivial\nidentity. This is a core concept in mathematics and physics, and deserves reflection.\n\nPoint Groups\n~~~~~~~~~~~~\n\nIn order for an object to be translationally symmetric, it must be periodic along\none or more axes. This means that most objects (excluding crystals and certain\nidealized chain molecules) can only have rotational/inversional symmetry. A 3D\nsymmetry group without translational symmetry is called a point group. This is\nbecause the transformations leave at least one point of space unmoved. This\nincludes rotations, reflections, inversions, and combinations of the three. Note\nthat we can either use rotations and reflections, or rotations and inversions,\nto generate the remaining point transformations. In PyXtal and the documentation,\nwe use rotations and inversions as the basic transformations, meaning reflections\nare treated as rotoinversions.\n\nA point group can contain rotations, reflections, and possibly inversion. There\nare several conventions for naming point groups, but PyXtal uses the Schoenflies\nnotation. Here, point groups have one or two letters to describe the type(s) of\ntransformations present, and a number to describe the order. For detailed\ninformation, see the Wikipedia page. Below are a few examples of point groups\nfound in crystallography and chemistry.\n\n- :math:`H_2O`: point group C2v (2-fold rotation axis, and two mirror planes) [#]_\n- Hypothetical Pmmm crystal: point group mmm (3 mirror planes)\n- Buckminsterfullerene: point group Ih (Full icosahedral symmetry) [#]_\n\n.. list-table::\n\n * - .. figure:: ../images/water_symmetry_1.gif\n :height: 720 px\n :width: 1024 px\n :scale: 25%\n :figclass: align-center\n\n :math:`H_2O` molecule (``C2v``)\n\n - .. figure:: ../images/Pmmm.png\n :height: 720 px\n :width: 1024 px\n :scale: 25%\n :figclass: align-center\n\n Hypothetical crystal (``mmm``)\n\n - .. figure:: ../images/Bucky.png\n :height: 720 px\n :width: 1024 px\n :scale: 25%\n :figclass: align-center\n\n Buckminsterfullerene (``Ih``)\n\n\n\nSpace Groups\n~~~~~~~~~~~~\n\nFor crystals, we need to describe both the translational (lattice) and rotational\n(point group) symmetry. A 3D symmetry group containing both of these is called a\nspace group, and is one of the main tools used by crystallographers. We can\nseparate a space group into its point group and its lattice group. Thus, space\ngroups can be neatly divided into the seven different crystal classes.\nMathematically, the two different types of symmetry are connected; thus, certain\nkinds of translational symmetry (lattice types) can only have certain kinds of\nrotational symmetry (point groups). This is apparent from the names of the space\ngroups; certain symbols are only found in certain lattice systems. A list of\nspace groups and their symmetries is provided by the\n`Bilbao utility WYCKPOS `_. Note that\nfor space groups, we use the `Hermann-Mauguin (H-M) notation `_.\nThis means a space group can be specified by a number between 1 and 230. However,\na space group symbol should always be provided, as the numbers are not used as\ncommonly. The numbers are more useful for computer applications like PyXtal or\nPymatgen, or in conjunction with references like the Bilbao server or the\nInternational Tables.\n\nTechnically speaking, two crystals with the same lattice type and point group,\nbut with different cell parameters, have different space groups. The space group\nis the set of all symmetry operations, and in this case the translational\nsymmetry operations would be different. But typically when someone says space\ngroup, they actually mean the set of all space groups with the same lattice type\nand point group. In this sense, we say that there are 230 different space groups.\nThis is the meaning of space group which we will use from now on, unless\notherwise specified. This is useful, since we don't need to define a new space\ngroup every time we shrink or stretch a crystal by some small amount.\n\nNot every rotational symmetry is compatible with a 3D lattice. Specifically, only\nrotations of order 2, 3, 4, or 6 are found in real crystals (Note: pseudo-crystals\nmay have different local symmetries, but lack long-range periodicity). As a result,\nonly 32 point groups are found as subgroups of space groups. These are called the\ncrystallographic point groups. So, by choosing such a point group, along with a\n**compatible lattice**, we define a space group. By **compatible lattice**, we\nmean any lattice which maps onto itself under the symmetry operations of the\nchosen point group. Because of this compatibility condition, the presence of a\nparticular symmetry can tell you what kind of lattice is present. For example, a\n6-fold rotation always belongs to a hexagonal lattice. A 3-fold rotation about\none of the primary axes belongs to a trigonal axis, whereas a 3-fold rotation\nabout the diagonal belongs to a cubic lattice. In this way, the lattice type can\nbe determined from the Hermann-Mauguin symbol.\n\nIn reality, a crystal is often distorted slightly from its ideal symmetrical\nstate. As a result, two researchers may label the same crystal with different\nspace groups. This phenomenon is called pseudosymmetry; it is when a crystal is\nclose to possessing a certain space group, but is only slightly off. This is a\nreal problem for computational crystallography, since numerical accuracy makes\ndetermining symmetry an imprecise business. For example, if an atom is located\nat ``(0,1/3,0)``, it will be encoded as something like ``(0,.33333,0)`` due to\nrounding. As a result, it will be slightly off from the expected location, and\nthe computer may not recognize the 3-fold symmetry. So, whenever you work with\ncrystal symmetry, it is a good idea to allow some numerical **tolerance**\n(roughly somewhere between ``.001`` and ``.03`` Angstroms), so as to correctly\nassess the symmetry. On the flip side, if a provided crystal is labeled as\nhaving P1 symmetry (which means no rotational symmetry was found), it is likely\nthat some symmetry is actually present, but was not found due to numerical issues.\n\nWyckoff Positions\n-----------------\n\nBecause symmetry operations can be thought of as making *copies* of parts of an\nobject, we can usually only describe part of a structure, and let symmetry\ngenerate the rest. This small part of the structure used to generate the rest is\ncalled the asymmetric unit. However, not all points in the asymmetric unit are\ngenerated the same. If an atom lies within certain regions - planes, lines, or\npoints - then the atom may not be \"copied\" as many times as other atoms within\nthe asymmetric unit. A familiar example is in the creation of a paper snowflake.\nWe start with a hexagon, then fold it into a single triangle 6 sheets thick.\nThen, if we cut out a mark somewhere in the middle of the triangle, the mark is\ncopied 6-fold. However, if we instead cut out a mark alonng the triangle's edge,\nor at the tip, the marks will only have 3 or 1 copies:\n\n.. image:: ../images/PaperSnowflake.png\n :height: 256 px\n :width: 256 px\n :scale: 100%\n :alt: Paper snowflake\n\nThese different regions are called Wyckoff positions, and the number of copies\nis called the multiplicity of the *Wyckoff position*. So, if an atom lies in a\nWyckoff position with multiplicity greater than 1, then that Wyckoff position\nactually corresponds to multiple atoms. However, thanks to symmetry, we can refer\nto all of the copies (for that particular atom) as a single Wyckoff position.\nThis makes describing a crystal much easier, since we no longer need to specify\nthe exact location of most of the atoms. Instead, we need only list the space\ngroup, the lattice, and the location and type of one atom from each Wyckoff\nposition. This is exactly how the cif file format encodes crystal data (more\ninfo below). Just keep in mind that in this format, a single atomic entry may\ncorrespond to multiple atoms in the unit cell.\n\nThe largest Wyckoff position, which makes a copy for every symmetry operation,\nis called the general Wyckoff position, or just the general position. In the\nsnowflake example, this was the large inner region of the triangle. In general,\nthe general position will consist of every location which does not lie along\nsome special symmetry axis, plane, or point. For this reason, the other Wyckoff\npositions are called the special Wyckoff positions.\n\nThe number and type of Wyckoff positions are different for every space group; a\nlist of them can be found using the\n`Bilbao utility WYCKPOS `_. In the\nutility, Wyckoff positions are described using the ``x,y,z`` notation, where\neach operation shows how the original ``(x,y,z)`` point is transformed/copied.\nIn other words, if we choose a single set of coordinates, then plugging these\ncoordinates into the Wyckoff position will generate the remaining coordinates.\nAs an example, consider the general position of space group ``P222 (#16)``,\nwhich consists of the points ``(x,y,z), (-x,-y,z), (-x,y,-z), and (x,-y,-z)``.\nIf we choose a random point, say ``(0.321,0.457,0.892)``, we can determine the\nremaining points:\n\n::\n\n (x,y,z)->(0.321,0.457,0.892)\n (-x,-y,z)->(0.679,0.543,0.892)\n (-x,y,-z)->(0.679,0.457,0.108)\n (x,-y,-z)->(0.321,0.543,0.108)\n\nHere a negative value is equal to 1 minus that value (-0.321 = 1 - 0.321 = 0.679).\n\nTo denote Wyckoff positions, a combination of number and letter is used. The\nnumber gives the multiplicity of the Wyckoff position, while the letter\ndifferentiates between positions with the same multiplicity. The letter 'a' is\nalways given to the smallest Wyckoff position (usually located at the origin or\nz axis), and the letter increases for positions with higher multiplicity. So,\nfor example, the space group ``I4mm (#107)`` has 5 different Wyckoff positions:\n``2a``, ``4b``, ``8c``, ``8d``, and ``16e``. Here, ``16e`` is the general\nposition, since it has the largest multiplicity and last letter alphabetically.\n\nNote that for space groups with non-simple lattices (those which begin with a\nletter other than 'P'), the Wyckoff positions also contain fractional translations.\nTake for example the space group ``I4mm (#107)``. The Bilbao entry can be found\nat the `url `_.\nEach listed Wyckoff position coordinate has a copy which is translated by\n``(0.5,0.5,0.5)``. It is inconvenient to list each of these translated copies\nfor every Wyckoff position, so instead a note is placed at the top. This is why\nWyckoff position ``16e`` has only 8 points listed. In this case, to generate the\nfull crystal, one could apply the 8 operations listed, then make a copy of the\nresulting structure by translating it by the vector ``(0.5,0.5,0.5)``. Note that\nin space groups beginning with letters other than P, the smallest Wyckoff\nposition will never have a multiplicity of 1.\n\nIn addition to the generating operations, the site symmetry of each Wyckoff\nposition is listed. The site symmetry is just the point group which leaves the\nWyckoff position invariant. So, if a Wyckoff position consists of an axis, then\nthe site symmetry might be a rotation about that axis. The general position\nalways has site symmetry 1, since it corresponds to choosing any arbitrary\nstructure or location can be made symmetrical by copying it and applying all of\nthe operations in the space group.\n\nFinally, since crystals are infinitely periodic, a Wyckoff position refers not\nonly to the atoms inside a unit cell, but every periodic copy of those atoms in\nthe other unit cells. Thus, the Wyckoff position ``x,y,z`` is the same as the\nposition ``x+1,y+1,z``, and so on. This is usually a minor detail, but it must\nbe taken into account for certain computational tasks.\n\nMolecular Wyckoff Positions\n---------------------------\n\nIn most cases, it is assumed that the objects occupying Wyckoff positions will\nbe atoms. Because atoms are spherically symmetrical, they will always possess\nthe site symmetry associated with a given Wyckoff position. However, this is not\nalways the case for molecules, which have their own point group symmetry. Because\nof this, a given molecule may or may not fit into a given Wyckoff position,\ndepending on its symmetry and orientation.\n\nIn order for a molecule to fit within a Wyckoff position, its point group must\nbe a supergroup of the position's site symmetry. In other words, the molecule\nmust be at least as symmetrical as the region of the Wyckoff position itself\n(with reference to the operations of the space group as a whole). Furthermore,\nthe molecule must be oriented in such a way that its symmetry axes line up with\nthe symmetry axes of the Wyckoff position. As an example, consider a Wyckoff\nposition with site symmetry 2. This is an axis with 2-fold symmetry. Now consider\na water molecule lying on this axis. In order to truly occupy the Wyckoff\nposition, the water molecule's 2-fold axis must line up with the Wyckoff\nposition's (See the water molecule image above).\n\nFor larger site symmetry groups, it is more complicated to check if a molecule\nwill fit or not. The algorithm used by PyXtal for doing this is detailed in the\n`How PyXtal Works `_ page.\n\n\nCrystal File Formats\n--------------------\n\nThere are two main file formats used for storing crystal structures: cif and\nPOSCAR. Each of these has standard definitions.\n`Here `_ is the\ncif file definition (given by the International Tables), and\n`here `_ is the POSCAR\nfile definition (given by Vasp).\n\nCif uses the space group symmetry to compress the data. The core information\nconsists of the space group, the lattice, and the location and type of a single\natom from each Wyckoff position. So, for high symmetry space groups, a cif file\ncan be much smaller than a POSCAR file. As with any type of compression, the cif\nfile has the downside that the program using it must be able to work with\nsymmetry operations. Specifically, each Wyckoff position's generating atom must\nbe copied using the symmetry operations, so that the entire unit cell can be known.\n\nIn contrast, a POSCAR file does not provide the symmetry information, but instead\nspecifies the type and location of every atom in the unit cell, including those\nwhich are symmetrical copies of each other. This results in a larger file, but\none that is easier to read, since no symmetry operations need to be applied. The\ndownside is that if one wishes to know the space group, it must either be\ncalculated, or given by some external source.\n\nEach format has advantages and disadvantages. A computational crystallographer\nshould be familiar with both, and understand the differences. If you provide a\nPOSCAR file for a structure, you should also provide the symmetry group.\nLikewise, if you provide a cif file, you should be certain that the symmetry\ninformation is correct, and that you are using the correct space group setting.\n\n.. [#] Images from https://en.wikipedia.org/wiki/Crystal_structure\n\n.. [#] Image from \"Molecular Orbitals for Water (H2O)\"http://www1.lsbu.ac.uk/php-cgiwrap/water/pfp.php3?page=http://www1.lsbu.ac.uk/water/h2o_orbitals.html)\n\n.. [#] Image from https://en.wikipedia.org/wiki/Buckminsterfullerene#/media/File:Buckminsterfullerene-perspective-3D-balls.png\n" }, { "path": "doc/COMMAND_MODE.rst", "content": "Run PyXtal executables\n======================\n\nCurrently, we provide several utilities to the users so that they can run the\ncode from command line with Python scripting.\nThey include:\n\n- ``Pyxtal_main.py``: a tool to generate atomic/molecular crystals\n- ``Pyxtal_symmetry.py``: a tool to access the symmetry information\n\nAfter a successfull `installation `_, all of them can be\naccessed by invoking the ``-h`` command:\n\n::\n\n $ pyxtal_main.py -h\n ______ _ _ _\n (_____ \\ \\ \\ / / | |\n _____) ) _ \\ \\/ / |_ ____| |\n | ____/ | | | ) (| _)/ _ | |\n | | | |_| |/ /\\ \\ |_( (_| | |___\n |_| \\__ /_/ \\_\\___)__|_|_____)\n (____/\n\n\n ----------------------(version 0.1.4 )----------------------\n\n A Python package for random crystal generation\n The source code is available at https://github.com/MaterSim/pyxtal\n Developed by Zhu's group at University of Nevada Las Vegas\n\n\n usage: pyxtal_main.py [-h] [-s sg] [-e element] [-n numIons] [-f factor]\n [-a attempts] [-o outdir] [-d dimension] [-t thickness]\n [-m]\n\n optional arguments:\n -h, --help show this help message and exit\n -s sg, --symmetry sg desired symmetry, number or string, e.g., 36, Pbca, Ih\n -e element, --element element\n desired elements: e.g., Li\n -n numIons, --numIons numIons/numMols\n desired numbers of atoms: 16\n -f factor, --factor factor\n volume factor: default 1.0\n -a attempts, --attempts attempts\n number of crystals to generate: default 1\n -o outdir, --outdir outdir\n Directory for storing output cif files: default 'out'\n -d dimension, --dimension dimension\n desired dimension: (3, 2, 1, 0): default 3\n -t thickness, --thickness thickness\n Thickness of a 2D crystal, or area of a 1D crystal,\n None generates a value automatically: default None\n -m, --molecular molecular? default: False\n\n\n\nPyXtal_symmetry utility\n------------------------\n``PyXtal_symmetry.py`` is a utility to handle the generation of moelcular crystals.\n\n- `-d`, the dimension, e.g., ``3``, ``2``, ``1``, ``0``. The defult is ``3``.\n- `-s`: the target symmetry, either by *string* (e.g., ``Ih``, ``Pbca``) and *integer* (``61``).\n\n::\n\n $ pyxtal_symmetry.py -s 36\n\n -- Space group # 36 (Cmc2_1)--\n 8b site symm: 1\n x, y, z\n -x, -y, z+1/2\n x, -y, z+1/2\n -x, y, z\n x+1/2, y+1/2, z\n -x+1/2, -y+1/2, z+1/2\n x+1/2, -y+1/2, z+1/2\n -x+1/2, y+1/2, z\n 4a site symm: m..\n 0, y, z\n 0, -y, z+1/2\n 1/2, y+1/2, z\n 1/2, -y+1/2, z+1/2\n\n::\n\n $ pyxtal_symmetry.py -s 20 -d 2\n\n -- Layer group # 20 (p2_122)--\n 4d site symm: 1\n x, y, z\n x+1/2, -y, -z\n -x+1/2, y, -z\n -x, -y, z\n 2c site symm: .2.\n 1/4, y, 0\n 3/4, -y, 0\n 2b site symm: ..2\n 0, 1/2, z\n 1/2, 1/2, -z\n 2a site symm: ..2\n 0, 0, z\n 1/2, 0, -z\n\nif the ``-s`` tag is not given, it will output the list of all possible symmetry\ngroups for the given dimension.\n\n::\n\n $ pyxtal_symmetry.py -d 3\n space_group\n 1 P1\n 2 P-1\n 3 P2\n 4 P2_1\n 5 C2\n 6 Pm\n 7 Pc\n 8 Cm\n 9 Cc\n 10 P2/m\n 11 P2_1/m\n 12 C2/m\n 13 P2/c\n 14 P2_1/c\n 15 C2/c\n 16 P222\n 17 P222_1\n 18 P2_12_12\n 19 P2_12_12_1\n 20 C222_1\n ...\n ...\n 212 P4332\n 213 P4_132\n 214 I4_132\n 215 P-43m\n 216 F-43m\n 217 I-43m\n 218 P-43n\n 219 F-43c\n 220 I-43d\n 221 Pm-3m\n 222 Pn-3n\n 223 Pm-3n\n 224 Pn-3m\n 225 Fm-3m\n 226 Fm-3c\n 227 Fd-3m\n 228 Fd-3c\n 229 Im-3m\n 230 Ia-3d\n\nPyXtal_main utility\n--------------------\n``PyXtal_main.py`` is a utility to handle the generation of atomic crystals.\nTypically, four arguments are requried to describe the target structure:\n\n- `-d`, the dimension, e.g., ``3``, ``2``, ``1``, ``0``.\n- `-s`: the target symmetry (*space*, *layer*, *rod*, *point* group information), either by *string* (e.g., ``Ih``, ``Pbca``) and *integer* (``61``).\n- `-e`: the list of elements, e.g., ``Si``, ``Si, O``\n- `-n`: the number of atoms in the target primitive unit cell, e.g., ``12``, ``4, 8``. The size should be consistent with the ``-e`` tag.\n\nFor **group setting**, please refer to the `Group Setting page `_.\n**To our knowledge, PyXtal is perhaps the only open source code which can handle\nthe crystal symmetry generation from 0 to 3 dimensional systems.**\nBelow we will introduce its capability in detail.\n\nA quick example of C60\n~~~~~~~~~~~~~~~~~~~~~~\n\nBelow is a quick example to generate a random ``C60`` clusters with icosahedral\n(``Ih``) symmetry.\n\n::\n\n $ pyxtal_main.py -e C -n 60 -d 0 -s Ih\n\n Symmetry requested: 56(Ih), generated: Ih\n Output to out/C60.xyz\n\n\nAs described in the screen output, the run will generate a file called\n``out/C60.xyz`` which stores the structural information about C60.\nOne can thus visualize via different third-party packages. For instance,\nbelow is the output from `VESTA `_.\n\n.. image:: ../images/C60.png\n :height: 763 px\n :width: 995 px\n :scale: 25 %\n :align: center\n\nNote that this is a random process. So each time the structure is different.\n\n\n3D crystals\n~~~~~~~~~~~~~~~~~~~~~~\nBy default, ``-d`` tag is 3, which means to generate 3D crystal. Below is a\nquick example to generate a diamond like crystals for carbon.\n\n::\n\n $ pyxtal_main.py -e C -n 8 -s 227\n\n Symmetry requested: 227(Fd-3m), generated: Fd-3m\n Output to out/C8.cif\n\n\n.. image:: ../images/C8-diamond.png\n :height: 763 px\n :width: 763 px\n :scale: 30 %\n :align: center\n\nIt is important to note that we specified ``8`` for ``-n`` tag, which means 8\ncarbon atoms in the conventional unit cell.\n\n2D and 1D crystals\n~~~~~~~~~~~~~~~~~~~~~~\n2D and 1D crystals need one more argument to specify the confinement. For 2D\ncrystal, the ``thickness`` needs to be provided through ``-t`` tag in Angstrom.\nBelow is an example fo generating a 2D MoS2 crystal.\n\n::\n\n $ pyxtal_main.py -e Mo,S -n 1,2 -s 77 -d 2 -t 2.4\n\n Symmetry requested: 77(p6mm), generated: P6mm\n Output to out/Mo1S2.cif\n\n\n.. image:: ../images/MoS2.png\n :height: 763 px\n :width: 1263 px\n :scale: 30 %\n :align: center\n\n\nMolecular crystals occupying general Wyckoff positions\n~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\nBelow is an example to generate of random crystal for a famous drug molecule ROY.\n\n::\n\n $ pyxtal_main.py -m -e ROY -n 4 -s P2_12_12_1\n\n Symmetry requested: 19 (P2_12_12_1), generated: P2_12_12_1, vol: 2895.37 A^3\n Output to out/S4O8N12C48H36.cif\n\n.. image:: ../images/ROY.png\n :height: 763 px\n :width: 963 px\n :scale: 30 %\n :align: center\n\nMolecular crystals occupying special Wyckoff positions\n~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\nAn import feature of PyXtal is that the program can automatically generate\nmolecular crystals occupying special Wyckoff positions. This is very useful for\nmolecules with high internal symmetry. During crystallization, these molecule\ncan occupy some special Wyckoff positions as long as the site symmetry is\ncompatible with the molecular symmetry. For instance, the space group ``Cmc_21``\nhas 4 symmetry operations (``mm2``) in its primitive cell. However, we can still\ngenerate a structure with 2 molecules for C60 by placing them to the special\nWyckoff position. This will be automatically processed by our\n`internal algorithm `_.\n\n::\n\n $ pyxtal_main.py -m -e C60 -n 2 -s 36\n\n\n.. image:: ../images/C60-x.png\n :height: 703 px\n :width: 683 px\n :scale: 50 %\n :align: center\n\nHow to define the molecules?\n~~~~~~~~~~~~~~~~~~~~~~~~~~~~\nPlease ref to the section of `Molecule `_.\n" }, { "path": "doc/Installation.rst", "content": "Installation and Setup\n======================\n\nDependencies\n------------\n\nVersions indicated are those used during development. Other versions may be\ncompatible, but have not yet been tested.\n\n * `SciPy 1.0.1 `_\n * `NumPy 1.14.3 `_\n * `Pandas 0.20.3 `_\n * `Pymatgen 2017.9.3 `_\n * `SpgLib for Python 1.9.9.44 `_\n * `Openbabel 2.4.1 `_\n * `Networkx 2.3 `_\n\nOpenbabel is not necessary, and only adds additional file format support for\nimporting molecules. You must install the C++ pacakge before installing the\nPython bindings. For Debian based systems, your distribution may already have\ninstallable packages:\n\n::\n\n $ sudo apt-get install openbabel\n $ pip install openbabel\n\nAlso note that the openbabel Python bindings require swig to install:\n\n::\n\n $ sudo apt-get install swig\n\nOlder version of swig (before 2.0) will not work. For other systems, you must\ncompile the openbabel Python bindings yourself. There are tutorials for this on\nthe `openbabel website\n`_, as well as\nin the `pymatgen documentation\n`_.\n\nInstallation\n------------\n\nTo install PxXtal, one can simply type\n\n::\n\n $ pip install pyxtal\n\nor make a copy of the source code, and then install it manually.\n\n::\n\n $ git clone https://github.com/MaterSim/pyxtal\n $ cd pyxtal\n $ pip install .\n\n\nor update the code to our developing version\n\n::\n\n $ pip install --upgrade git+https://github.com/MaterSim/PyXtal.git@master\n\n\nThis will install the module. You can check the installation of the code by a\nsimple test run as follows,\n\n::\n\n $ pyxtal_test.py\n\nYou expect to see the following output.\n\n::\n\n ______ _ _ _\n (_____ \\ \\ \\ / / | |\n _____) ) _ \\ \\/ / |_ ____| |\n | ____/ | | | ) (| _)/ _ | |\n | | | |_| |/ /\\ \\ |_( ( | | |___\n |_| \\__ /_/ \\_\\___)_||_|_(___\n (____/\n\n\n ----------------------(version 0.0.1 )----------------------\n\n A Python package for random crystal generation\n The source code is available at https://github.com/MaterSim/pyxtal\n Developed by Zhu's group at University of Nevada Las Vegas\n\n\n ====== Testing functionality for pyXtal version 0.1dev ======\n Importing sys...\n Success!\n Importing numpy...\n Success!\n Importing pymatgen...\n Success!\n Importing pandas...\n Success!\n ...\n ...\n \t223\t|\t223\t|\t223\t|\t1.12 s ~\n \t224\t|\t224\t|\t224\t|\t0.30 s\n \t225\t|\t225\t|\t225\t|\t0.54 s\n \t226\t|\t226\t|\t226\t|\t0.45 s\n \t227\t|\t227\t|\t227\t|\t0.47 s\n \t228\t|\t228\t|\t228\t|\t1.42 s ~\n \t229\t|\t229\t|\t229\t|\t0.19 s\n \t230\t|\t230\t|\t230\t|\t0.18 s\n TEST COMPLETE\n\n Total time elapsed: 34.15 s\n\nMore extensive test can be invoked by running\n\n::\n\n $ pyxtal_test.py -m all\n\nIdeally, one should see the completion of all modules in the end.\n" }, { "path": "doc/Makefile", "content": "# Minimal makefile for Sphinx documentation\n#\n\n# You can set these variables from the command line.\nSPHINXOPTS =\nSPHINXBUILD = sphinx-build\nSPHINXPROJ = PyXtal\nSOURCEDIR = .\nBUILDDIR = _build\n\n# Put it first so that \"make\" without argument is like \"make help\".\nhelp:\n\t@$(SPHINXBUILD) -M help \"$(SOURCEDIR)\" \"$(BUILDDIR)\" $(SPHINXOPTS) $(O)\n\n.PHONY: help Makefile\n\n# Catch-all target: route all unknown targets to Sphinx using the new\n# \"make mode\" option. $(O) is meant as a shortcut for $(SPHINXOPTS).\n%: Makefile\n\t@$(SPHINXBUILD) -M $@ \"$(SOURCEDIR)\" \"$(BUILDDIR)\" $(SPHINXOPTS) $(O)" }, { "path": "doc/README.txt", "content": "This is the documentation folder for PyXtal. We use Sphinx to automatically generate documentation.\n\nThe following command will update the rst files to include any new python files:\n`sphinx-apidoc -o . ../pyxtal -e -M -f`\nOnce the rst files are satisfactory, or if no new Python files have been added/deleted, you can build the html by running:\n`make html`\nThe html files will be output to /doc/_build/html .\n" }, { "path": "doc/Settings.rst", "content": "Group Settings\n==============\n\nFor the output 3D structures, PyXtal uses the conventional standard cell (same\nas `Bilbao `_).\nBelow are the links for each set.\n\n- `Space group `_\n- `Layer group `_\n- `Rod group `_\n\nOne can conveniently access the list of crystallographic point groups, 1D\nrod, 2D layer groups and 3D space groups by changing the ``dim`` flag.\n\n.. code-block:: Python\n\n >>> from pyxtal.symmetry import Group\n >>> g=Group.list_groups(dim=0)\n point_group\n 1 C1\n 2 Ci\n 3 C2\n ...\n 56 Ih\n 57 C*\n 58 C*h\n\nSpace Group\n-----------\n\nBy default, pyxtal follows the standard according to the Volume A of\nInternational Tables for Crystallography.\nThey are defined as: unique axis b setting,\ncell choice 1 for monoclinic groups, hexagonal axes setting for rhombohedral\ngroups, and origin choice 2 (origin in -1) for the centrosymmetric groups listed\nwith respect to two origins. The relation between the standard space group\nand hall numbers are shown as follows,\n\n.. code-block:: Python\n\n\tpyxtal_hall_numbers = [\n\t1, 2, 3, 6, 9, 18, 21, 30, 39, 57, 60, 63, 72, 81, 90,\n\t108, 109, 112, 115, 116, 119, 122, 123, 124, 125, 128, 134, 137, 143, 149,\n\t155, 161, 164, 170, 173, 176, 182, 185, 191, 197, 203, 209, 212, 215, 218,\n\t221, 227, 229, 230, 234, 239, 245, 251, 257, 263, 266, 269, 275, 279, 284,\n\t290, 292, 298, 304, 310, 313, 316, 323, 334, 336, 337, 338, 341, 343, 349,\n\t350, 351, 352, 353, 354, 355, 356, 357, 358, 360, 362, 363, 365, 366, 367,\n\t368, 369, 370, 371, 372, 373, 374, 375, 376, 377, 378, 379, 380, 381, 382,\n\t383, 384, 385, 386, 387, 388, 389, 390, 391, 392, 393, 394, 395, 396, 397,\n\t398, 399, 400, 401, 403, 405, 406, 407, 409, 411, 412, 413, 415, 417, 418,\n\t419, 421, 423, 424, 425, 427, 429, 430, 431, 432, 433, 435, 436, 438, 439,\n\t440, 441, 442, 443, 444, 446, 447, 448, 449, 450, 452, 454, 455, 456, 457,\n\t458, 460, 462, 463, 464, 465, 466, 467, 468, 469, 470, 471, 472, 473, 474,\n\t475, 476, 477, 478, 479, 480, 481, 482, 483, 484, 485, 486, 487, 488, 489,\n\t490, 491, 492, 493, 494, 496, 497, 499, 500, 501, 502, 503, 504, 505, 506,\n\t507, 508, 509, 510, 511, 512, 513, 514, 515, 516, 517, 519, 520, 522, 523,\n\t524, 526, 528, 529, 530]\n\n\nHowever, in some programs like Spglib, when converting from space group to Hall\nnumbers, the first description of the space-group type in International Tables\nfor Crystallography) is chosen. In this case, the Hall number ``525`` (instead\nof ``526``) will be chosen for the space group ``227``.\n\n.. code-block:: Python\n\n\tspglib_hall_numbers = [\n\t1, 2, 3, 6, 9, 18, 21, 30, 39, 57, 60, 63, 72, 81, 90,\n\t108, 109, 112, 115, 116, 119, 122, 123, 124, 125, 128, 134, 137, 143, 149,\n\t155, 161, 164, 170, 173, 176, 182, 185, 191, 197, 203, 209, 212, 215, 218,\n\t221, 227, 228, 230, 233, 239, 245, 251, 257, 263, 266, 269, 275, 278, 284,\n\t290, 292, 298, 304, 310, 313, 316, 322, 334, 335, 337, 338, 341, 343, 349,\n\t350, 351, 352, 353, 354, 355, 356, 357, 358, 359, 361, 363, 364, 366, 367,\n\t368, 369, 370, 371, 372, 373, 374, 375, 376, 377, 378, 379, 380, 381, 382,\n\t383, 384, 385, 386, 387, 388, 389, 390, 391, 392, 393, 394, 395, 396, 397,\n\t398, 399, 400, 401, 402, 404, 406, 407, 408, 410, 412, 413, 414, 416, 418,\n\t419, 420, 422, 424, 425, 426, 428, 430, 431, 432, 433, 435, 436, 438, 439,\n\t440, 441, 442, 443, 444, 446, 447, 448, 449, 450, 452, 454, 455, 456, 457,\n\t458, 460, 462, 463, 464, 465, 466, 467, 468, 469, 470, 471, 472, 473, 474,\n\t475, 476, 477, 478, 479, 480, 481, 482, 483, 484, 485, 486, 487, 488, 489,\n\t490, 491, 492, 493, 494, 495, 497, 498, 500, 501, 502, 503, 504, 505, 506,\n\t507, 508, 509, 510, 511, 512, 513, 514, 515, 516, 517, 518, 520, 521, 523,\n\t524, 525, 527, 529, 530]\n\n\nLayer Group\n-----------\n\nFor 2D structures, we use unique axis c for monoclinic layer groups 3-7, and\nunique axis a for layer groups 8-18. When two origin choices are available,\nwe use origin choice 1. We always choose c as the non-periodic axis.\n\nRod Group\n---------\n\nFor 1D structures, we use unique axis a for monoclinic Rod groups 3-7, and\nunique axis c for Rod groups 8-12. When two settings are available for a group,\nwe use the 1st setting. We always choose c as the periodic axis.\n\n\nPoint Group\n-----------\n\nFor point group structures, we use unique axis c for all groups except the\npolyhedral groups ``T, Th, O, Td, Oh, I, and Ih``. For all of these groups,\nwe place the 2-fold rotation about the z axis and a 3-fold rotation about the\n(x,x,x) axis. For ``I`` and ``Ih``, we use a 5-fold rotation about the axis (1,\n:math:`\\tau`, 0), where :math:`\\tau` is the golden ratio 1.618.\n\nAll supported point groups, listed by number:\n\n+------------+------------+-----------+-----------+\n| 1: C1 | 2: Ci | 3: C2 | 4: Cs |\n+------------+------------+-----------+-----------+\n| 5: C2h | 6: D2 | 7: C2v | 8: D2h |\n+------------+------------+-----------+-----------+\n| 9: C4 | 10: S4 | 11: C4h | 12: D4 |\n+------------+------------+-----------+-----------+\n| 13: C4v | 14: D2d | 15: D4h | 16: C3 |\n+------------+------------+-----------+-----------+\n| 17: C3i | 18: D3 | 19: C3v | 20: D3d |\n+------------+------------+-----------+-----------+\n| 21: C6 | 22: C3h | 23: C6h | 24: D6 |\n+------------+------------+-----------+-----------+\n| 25: C6v | 26: D3h | 27: D6h | 28: T |\n+------------+------------+-----------+-----------+\n| 29: Th | 30: O | 31: Td | 32: Oh |\n+------------+------------+-----------+-----------+\n| 33: C5 | 34: C7 | 35: C8 | 36: D5 |\n+------------+------------+-----------+-----------+\n| 37: D7 | 38: D8 | 39: C5v | 40: C7v |\n+------------+------------+-----------+-----------+\n| 41: C8v | 42: C5h | 43: D5h | 44: D7h |\n+------------+------------+-----------+-----------+\n| 45: D8h | 46: D4d | 47: D5d | 48: D6d |\n+------------+------------+-----------+-----------+\n| 49: D7d | 50: D8d | 51: S6 | 52: S8 |\n+------------+------------+-----------+-----------+\n| 53: S10 | 54: S12 | 55: I | 56: Ih |\n+------------+------------+-----------+-----------+\n| 57: C* | 58: C*h | | |\n+------------+------------+-----------+-----------+\n\nIn addition to the 32 crystallographic point group , we add the following finite\nnon-crystallographic point groups:\n\n``Cn, Cnh, Cnv, Sn, Cni, Dn, Dnh, Dnd.``\n\nwhere n should be replaced by an integer. I and Ih, which are the icosahedral\nand full icosahedral groups, are particularly useful (Buckminsterfullerene,\nfor example has point group symmetry ``Ih``). Finally, the infinite rotational\nand dihedral point groups ``C*`` and ``C*h`` can be used for generating linear\nstructures. ``C*h`` will have mirror symmetry, while ``C*`` will not.\n" }, { "path": "doc/Symmetry_representation.rst", "content": "Symmetry Representation\n=======================\n\nSpace Group Symmetry\n--------------------\nIn crystallography, the Hermann-Mauguin notation is used to represent the symmetry of a crystal structure. Using this notation, the symmetry of a crystal structure can be described by a space group symbol, which is a combination of letters and numbers that represent the symmetry operations that can be applied to the structure. A full Hermann-Mauguin notation can be broken down into four parts:\n\n1. A single letter (``P, A, B, C, I, R``) indicating the type of lattice\n2. A symbol denoting the symmetry for the primary direction.\n3. A symbol denoting the symmetry for the secondary direction.\n4. A symbol denoting the symmetry for the tertiary direction. \n\n.. list-table:: Symmetry definitions in the Hermann-Mauguin notation.\n :header-rows: 1\n :widths: 7 7 7 7 30\n :align: left \n\n * - System\n - Primary \n - Secondary\n - Tertiary\n - Possible Symmetry Elements\n * - Triclinic\n - —\n - —\n - —\n - 1, -1.\n * - Monoclinic\n - [010]\n - —\n - —\n - 2, 2₁, m, c, 2/m, 2/c, 2₁/c.\n * - Orthorhombic\n - [100]\n - [010]\n - [001]\n - 2, 2₁, m, a, b, c, n, d.\n * - Tetragonal\n - [001]\n - [100]/[010]\n - [110]/[101]/...\n - 4ₙ(/m) @ [001].\n * - Tri/Hexagonal\n - [001]\n - [100]/[010]\n - [110]/[101]/..\n - 3ₙ/6ₙ, -3, -6 @ [001]\n * - Cubic\n - [100]/...\n - [111]/[1̄11]/...\n - [110]/[101]/...\n - 4ₙ @ [100], 3ₙ @ [111], 2ₙ @ [110]\n\n\nFor example, the space group 227 has a symbol of ``Fd-3m`` or ``F 4₁/d -3 2/m`` in the full Hermann-Mauguin notation. This means it has \n\n1. a face centered unit cell\n2. a ``4₁/d`` (including ``1, -1, 2₁, d, 4₁, -4``) symmetry in the [100] family direction.\n3. a ``-3`` (including ``1, -1, 3``) symmetry in the [111] family directions.\n4. a ``2/m`` (including ``1, -1, 2, m``) symmetry in the [110] family directions.\n\nIn most cases, the short Hermann-Mauguin notation is used to describe the symmetry of a crystal structure. For the case of ``F 4₁/d -3 2/m``, it can be simplified to ``Fd-3m`` by removing the redundant information due to the following reasons:\n\n- ``4₁/d`` is reduced to ``d`` since the primary direction must have the 4-fold, \n- ``2/m`` is reduced to ``m`` since the tertiary direction must have the 2-fold symmetry. \n\nSimilarly, the space group 61 ``P 2₁/b 2₁/c 2₁/a`` can be simplified to ``Pbca`` since the ``2₁`` must be present in that particular setting. However, the full Hermann-Mauguin notation is more informative and can be used to describe the symmetry of a crystal structure in more detail.\n\nBelow shows the symmetry element analysis of the space group ``Fd-3m`` on the 15 high symmetry crystallographic axes.\n\n.. list-table:: Symmetry analysis of space group 227 (Fd-3m)\n :widths: 10 20 30 20\n :header-rows: 1\n\n * - Index \n - Direction\n - Symmetry elements\n - Symbol \n * - 0\n - (1, 0, 0)\n - 1, -1, 2₁, d, 4₁, -4\n - 4₁/d\n * - 1\n - (0, 1, 0)\n - 1, -1, 2₁, d, 4₁, -4\n - 4₁/d\n * - 2\n - (0, 0, 1)\n - 1, -1, 2₁, d, 4₁, -4\n - 4₁/d\n * - 3\n - (1, 1, 1)\n - 1, -1, 3\n - -3\n * - 4\n - (1, -1, -1)\n - 1, -1, 3\n - -3\n * - 5\n - (-1, 1, -1)\n - 1, -1, 3\n - -3\n * - 6\n - (-1, -1, 1)\n - 1, -1, 3\n - -3\n * - 7\n - (1, -1, 0)\n - 1, -1, 2, m\n - 2/m\n * - 8\n - (1, 1, 0)\n - 1, -1, 2, d\n - 2/d\n * - 9\n - (0, 1, -1)\n - 1, -1, 2, m\n - 2/m\n * - 10\n - (0, 1, 1)\n - 1, -1, 2, d\n - 2/d\n * - 11\n - (-1, 0, 1)\n - 1, -1, 2, m\n - 2/m\n * - 12\n - (1, 0, 1)\n - 1, -1, 2, d\n - 2/d\n * - 13\n - (1, -2, 0)\n - 1, -1\n - -1\n * - 14\n - (2, -1, 0)\n - 1, -1\n - -1\n\n\nOne can easily verify this via PyXtal as follows.\n\n.. code-block:: python\n\n from pyxtal.symmetry import Group\n spg = Group(227)\n ss = spg.get_spg_symmetry_object()\n ss.to_beautiful_matrix_representation(skip=False)\n\n>>> Order Axis 1 -1 2 2_1 m a b c n d 3 3_1 3_2 4 4_1 4_2 4_3 -4 \n 0 ( 1 0 0): 1 1 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 1 # 4_1/d\n 0 ( 0 1 0): 1 1 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 1 # 4_1/d\n 0 ( 0 0 1): 1 1 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 1 # 4_1/d\n 1 ( 1 1 1): 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 # -3\n 1 ( 1 -1 -1): 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 # -3\n 1 (-1 1 -1): 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 # -3\n 1 (-1 -1 1): 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 # -3\n 2 ( 1 -1 0): 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 # 2/m\n 2 ( 1 1 0): 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 # 2/m\n 2 ( 0 1 -1): 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 # 2/m\n 2 ( 0 1 1): 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 # 2/m\n 2 (-1 0 1): 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 # 2/m\n 2 ( 1 0 1): 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 # 2/m\n\nIn the above output, we use a 1D 18-length array to represent the symmetry elements (``1, -1, 2, 2₁, m, a, b, c, n, d, 3, 3₁, 3₂, 4, 4₁, 4₂, 4₃, -4``). \n\nSpace Group Symmetry's Digital Representation\n---------------------------------------------\n\nFor the application of deep learning, the space group symmetry can be represented as a **14 lattice indices** + **15x18 matrix**. \n\nFor the lattice index, we divde it into 16 possible cases (0-15) as shown below:\n\n.. list-table::\n :widths: 15 35\n :header-rows: 1\n\n * - ID\n - Lattice Type\n * - 0 \n - Triclinic Primitive\n * - 1\n - Monoclinic Primitive \n * - 2\n - Monoclinic C-Base Centered\n * - 3\n - Orthorhombic Primitive\n * - 4\n - Orthorhombic A-base Centered\n * - 5\n - Orthorhombic B-base Centered\n * - 6\n - Orthorhombic C-base Centered\n * - 7\n - Orthorhombic Body Centered\n * - 8\n - Orthorhombic Face Centered\n * - 9\n - Tetragonal Primitive\n * - 10\n - Tetragonal Body Centered\n * - 11\n - Hexagonal Primitive\n * - 12\n - Hexagonal Rhombehedral \n * - 13\n - Cubic Primitive\n * - 14\n - Cubic Body Centered\n * - 15\n - Cubic Face Centered\n\nFor the matrix, the rows represent 15 directions, including\n\n .. list-table::\n :widths: 15 35\n :header-rows: 1\n\n * - Index\n - Direction\n * - 0\n - (1, 0, 0)\n * - 1\n - (0, 1, 0)\n * - 2\n - (0, 0, 1)\n * - 3\n - (1, 1, 1)\n * - 4\n - (1, -1, -1)\n * - 5\n - (-1, 1, -1)\n * - 6\n - (-1, -1, 1)\n * - 7\n - (1, -1, 0)\n * - 8\n - (1, 1, 0)\n * - 9\n - (0, 1, -1)\n * - 10\n - (0, 1, 1)\n * - 11\n - (-1, 0, 1)\n * - 12\n - (1, 0, 1)\n * - 13\n - (1, 2, 0)\n * - 14\n - (2, 1, 0)\n\n\nAnt the columns represent 18 symmetry elements. The value of each element in the matrix indicates the presence (1) or absence (0) of a symmetry operation. There exist a total of 48 combinational symmetries, \n\n.. list-table:: \n :widths: 10 20 10\n :header-rows: 1\n\n * - Index\n - Symmetry elements \n - Symbol\n * - 0\n - 1\n - 1\n * - 1 \n - 1, -1\n - ̄1\n * - 2\n - 1, 2\n - 2\n * - 3\n - 1, 2₁\n - 2₁\n * - 4\n - 1, m\n - m\n * - 5\n - 1, a\n - a\n * - 6\n - 1, b\n - b\n * - 7\n - 1, c\n - c\n * - 8\n - 1, n\n - n\n * - 9\n - 1, d\n - d\n * - 10\n - 1, 3\n - 3\n * - 11\n - 1, 3₁\n - 3₁\n * - 12\n - 1, 3₂\n - 3₂\n * - 13\n - 1, -1, 2, m\n - 2/m\n * - 14\n - 1, -1, 2, a\n - 2/a\n * - 15\n - 1, -1, 2, b\n - 2/b\n * - 16\n - 1, -1, 2, c\n - 2/c\n * - 17\n - 1, -1, 2, n\n - 2/n\n * - 18\n - 1, -1, 2, d\n - 2/d\n * - 19\n - 1, -1, 2₁, m\n - 2₁/m\n * - 20\n - 1, -1, 2₁, a\n - 2₁/a\n * - 21\n - 1, -1, 2₁, b\n - 2₁/b\n * - 22\n - 1, -1, 2₁, c\n - 2₁/c\n * - 23\n - 1, -1, 2₁, n\n - 2₁/n\n * - 24\n - 1, -1, 2₁, d\n - 2₁/d\n * - 25\n - 1, 2, 4\n - 4\n * - 26\n - 1, 2₁, 4₁\n - 4₁\n * - 27\n - 1, 2, 4₂\n - 4₂\n * - 28\n - 1, 2₁, 4₃\n - 4₃\n * - 29\n - 1, 2, -4\n - -4\n * - 30\n - 1, -1, 3\n - -3\n * - 31\n - 1, 2, 3\n - 6\n * - 32\n - 1, 2₁, 3₁\n - 6₁\n * - 33\n - 1, 2₁, 3₂\n - 6₅\n * - 34\n - 1, 2, 3₂\n - 6₂\n * - 35\n - 1, 2, 3₁\n - 6₄\n * - 36\n - 1, 2₁, 3\n - 6₃\n * - 37\n - 1, m, 3\n - -6\n * - 38\n - 1, -1, 2, m, 4, -4\n - 4/m\n * - 39\n - 1, -1, 2, n, 4, -4\n - 4/n\n * - 40\n - 1, -1, 2₁, a, 4₁, -4\n - 4₁/a\n * - 41\n - 1, -1, 2₁, b, 4₁, -4\n - 4₁/b\n * - 42\n - 1, -1, 2₁, c, 4₁, -4\n - 4₁/c\n * - 43\n - 1, -1, 2₁, d, 4₁, -4\n - 4₁/d\n * - 44\n - 1, -1, 2, m, 4₂, -4\n - 4₂/m\n * - 45\n - 1, -1, 2, m, 4₂, -4\n - 4₂/n\n * - 46\n - 1, -1, 2, m, 3\n - 6/m\n * - 47\n - 1, -1, 2₁, m, 3\n - 6₃/m\n\n\nIn PyXtal, this representation can be easily obtained via the ``get_spg_representation()`` method. The first element of the output is the lattice index, and the second element is a 15x48 matrix representing the symmetry elements.\n\n.. code-block:: Python\n\n from pyxtal.symmetry import Group\n spg = Group(227)\n id, matrix = spg.get_spg_representation() \n print(id)\n print(matrix)\n\n >>> 13 # lattice id\n >>> # one-hot encoding of 15*48 matrix to represent the space group Fd-3m\n [[0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0]\n [0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0]\n [0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0]\n [0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0]\n [0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0]\n [0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0]\n [0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0]\n [0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0]\n [0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0]\n [0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0]\n [0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0]\n [0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0]\n [0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0]\n [0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0]\n [0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0]])\n \n\n\nWyckoff Site Symmetry\n---------------------\nFor each space group, the Wyckoff positions are defined by the symmetry of the site. The Wyckoff positions are labeled with a letter and a number, where the letter indicates the type of site and the number indicates the multiplicity of that site. Below, we show the Wyckoff site symmetry for the space group 227 (``Fd-3m``) as an example. \n\n.. code-block:: python\n\n from pyxtal.symmetry import Group\n spg = Group(227)\n print(spg)\n wp = spg[-1] # Get the last Wyckoff position 8a\n ss.to_beautiful_matrix_representation() # List symmetry elements\n\n>>> -- Spacegroup --# 227 (Fd-3m)--\n192i site symm: 1\n96h\t site symm: ..2\n96g\t site symm: ..m\n48f\t site symm: 2.mm\n32e\t site symm: .3m\n16d\t site symm: .-3m\n16c\t site symm: .-3m\n8b\t site symm: -43m\n8a\t site symm: -43m\n \n>>> Order Axis 1 -1 2 m 3 4 -4 -3 6 -6 \n 0 ( 1 0 0): 1 0 1 0 0 0 1 0 0 0 -4\n 0 ( 0 1 0): 1 0 1 0 0 0 1 0 0 0 -4\n 0 ( 0 0 1): 1 0 1 0 0 0 1 0 0 0 -4\n 1 ( 1 1 1): 1 0 0 0 1 0 0 0 0 0 3\n 1 ( 1 -1 -1): 1 0 0 0 1 0 0 0 0 0 3\n 1 (-1 1 -1): 1 0 0 0 1 0 0 0 0 0 3\n 1 (-1 -1 1): 1 0 0 0 1 0 0 0 0 0 3\n 2 ( 1 -1 0): 1 0 0 1 0 0 0 0 0 0 m\n 2 ( 1 1 0): 1 0 0 1 0 0 0 0 0 0 m\n 2 ( 0 1 -1): 1 0 0 1 0 0 0 0 0 0 m\n 2 ( 0 1 1): 1 0 0 1 0 0 0 0 0 0 m\n 2 (-1 0 1): 1 0 0 1 0 0 0 0 0 0 m\n 2 ( 1 0 1): 1 0 0 1 0 0 0 0 0 0 m\n\nIn space group 227, the Wyckoff position ``8a`` indicates that there are 8 equivalent sites in the unit cell, with a site symmetry of ``-43m``. Unlike the Hermann-Mauguin notation, the site symmetry does not count the translation symmetry. Hence, it does not include the screw axis (e.g., ``2₁, 3₁, 4₁, 6₁``) or glide plane symmetry (``a, b, c, n, d``). There are 7 fundamental point group symmetries (``1, -1, 2, m, 3, 4, 6, -6``) and 5 additional compound group symmetries (``-3, 6, 2/m, 4/m, 6/m``). For ``8a`` in space group 227, its site symmetry ``-43m`` includes\n\n1. 4-fold rotation axis (``-4``) @ [100] family directions,\n2. 3-fold rotation axis (``3``) @ [111] family directions,\n3. 2-fold rotation axis (``m``) @ [110] family directions.\n\nSite Symmetry's Digital Representation\n---------------------------------------------\n\nFor the application of deep learning, the Wyckoff site symmetry can be represented as a 15x7 matrix, where the rows and columns represent the symmetry elements. The value of each element in the matrix indicates the presence or absence of a symmetry operation. For example, a value of 1 indicates that the symmetry operation is present, while a value of 0 indicates that it is absent. Given that there exist a total of 13 site symmetries (``1, -1, 2, m, 3, 4, 6, -6, -3, 6, 2/m, 4/m, 6/m``), it can be further converted to an one-hot encoding format of (15x13) matrix via PyXtal as follows:\n\n.. code-block:: python\n\n from pyxtal.symmetry import Group\n spg = Group(227)\n rep = wp.get_site_symmetry_object().to_one_hot()\n\n>>> # one-hot encoding of the 8a site symmetry of space group 227\n[[1 0 0 0 0 0 0 0 0 0 0 0 0]\n [1 0 0 0 0 0 0 0 0 0 0 0 0]\n [1 0 0 0 0 0 0 0 0 0 0 0 0]\n [0 1 0 0 0 0 0 0 0 0 0 0 0]\n [0 1 0 0 0 0 0 0 0 0 0 0 0]\n [0 1 0 0 0 0 0 0 0 0 0 0 0]\n [0 1 0 0 0 0 0 0 0 0 0 0 0]\n [0 0 1 0 0 0 0 0 0 0 0 0 0]\n [0 0 1 0 0 0 0 0 0 0 0 0 0]\n [0 0 1 0 0 0 0 0 0 0 0 0 0]\n [0 0 1 0 0 0 0 0 0 0 0 0 0]\n [0 0 1 0 0 0 0 0 0 0 0 0 0]\n [0 0 1 0 0 0 0 0 0 0 0 0 0]\n [1 0 0 0 0 0 0 0 0 0 0 0 0]\n [1 0 0 0 0 0 0 0 0 0 0 0 0]]\n\n\nComplete list of Wyckoff Site Symmetry Table\n--------------------------------------------\n\nUsing PyXtal, you can easily access the Wyckoff site symmetry for all 230 space groups as follows:\n\n.. code-block:: python\n\n from pyxtal.symmetry import Group\n for g in range(1, 231):\n spg = Group(g)\n for wp in spg:\n wp.get_site_symmetry()\n print(spg.number, spg.symbol, wp.get_label(), wp.site_symm)\n\nThe following table lists the space group number, symbol, Wyckoff label, and site symmetry for all 230 space groups.\n\n.. list-table::\n :header-rows: 1\n :widths: 10 20 10 20\n\n * - Space Group Number\n - Space Group Symbol\n - Wyckoff Label\n - Site Symmetry\n * - 1\n - P1\n - 1a\n - 1\n * - 2\n - P-1\n - 2i\n - 1\n * - 2\n - P-1\n - 1h\n - -1\n * - 2\n - P-1\n - 1g\n - -1\n * - 2\n - P-1\n - 1f\n - -1\n * - 2\n - P-1\n - 1e\n - -1\n * - 2\n - P-1\n - 1d\n - -1\n * - 2\n - P-1\n - 1c\n - -1\n * - 2\n - P-1\n - 1b\n - -1\n * - 2\n - P-1\n - 1a\n - -1\n * - 3\n - P2\n - 2e\n - 1\n * - 3\n - P2\n - 1d\n - 2\n * - 3\n - P2\n - 1c\n - 2\n * - 3\n - P2\n - 1b\n - 2\n * - 3\n - P2\n - 1a\n - 2\n * - 4\n - P21\n - 2a\n - 1\n * - 5\n - C2\n - 4c\n - 1\n * - 5\n - C2\n - 2b\n - 2\n * - 5\n - C2\n - 2a\n - 2\n * - 6\n - Pm\n - 2c\n - 1\n * - 6\n - Pm\n - 1b\n - m\n * - 6\n - Pm\n - 1a\n - m\n * - 7\n - Pc\n - 2a\n - 1\n * - 8\n - Cm\n - 4b\n - 1\n * - 8\n - Cm\n - 2a\n - m\n * - 9\n - Cc\n - 4a\n - 1\n * - 10\n - P2/m\n - 4o\n - 1\n * - 10\n - P2/m\n - 2n\n - m\n * - 10\n - P2/m\n - 2m\n - m\n * - 10\n - P2/m\n - 2l\n - 2\n * - 10\n - P2/m\n - 2k\n - 2\n * - 10\n - P2/m\n - 2j\n - 2\n * - 10\n - P2/m\n - 2i\n - 2\n * - 10\n - P2/m\n - 1h\n - 2/m\n * - 10\n - P2/m\n - 1g\n - 2/m\n * - 10\n - P2/m\n - 1f\n - 2/m\n * - 10\n - P2/m\n - 1e\n - 2/m\n * - 10\n - P2/m\n - 1d\n - 2/m\n * - 10\n - P2/m\n - 1c\n - 2/m\n * - 10\n - P2/m\n - 1b\n - 2/m\n * - 10\n - P2/m\n - 1a\n - 2/m\n * - 11\n - P21/m\n - 4f\n - 1\n * - 11\n - P21/m\n - 2e\n - m\n * - 11\n - P21/m\n - 2d\n - -1\n * - 11\n - P21/m\n - 2c\n - -1\n * - 11\n - P21/m\n - 2b\n - -1\n * - 11\n - P21/m\n - 2a\n - -1\n * - 12\n - C2/m\n - 8j\n - 1\n * - 12\n - C2/m\n - 4i\n - m\n * - 12\n - C2/m\n - 4h\n - 2\n * - 12\n - C2/m\n - 4g\n - 2\n * - 12\n - C2/m\n - 4f\n - -1\n * - 12\n - C2/m\n - 4e\n - -1\n * - 12\n - C2/m\n - 2d\n - 2/m\n * - 12\n - C2/m\n - 2c\n - 2/m\n * - 12\n - C2/m\n - 2b\n - 2/m\n * - 12\n - C2/m\n - 2a\n - 2/m\n * - 13\n - P2/c\n - 4g\n - 1\n * - 13\n - P2/c\n - 2f\n - 2\n * - 13\n - P2/c\n - 2e\n - 2\n * - 13\n - P2/c\n - 2d\n - -1\n * - 13\n - P2/c\n - 2c\n - -1\n * - 13\n - P2/c\n - 2b\n - -1\n * - 13\n - P2/c\n - 2a\n - -1\n * - 14\n - P21/c\n - 4e\n - 1\n * - 14\n - P21/c\n - 2d\n - -1\n * - 14\n - P21/c\n - 2c\n - -1\n * - 14\n - P21/c\n - 2b\n - -1\n * - 14\n - P21/c\n - 2a\n - -1\n * - 15\n - C2/c\n - 8f\n - 1\n * - 15\n - C2/c\n - 4e\n - 2\n * - 15\n - C2/c\n - 4d\n - -1\n * - 15\n - C2/c\n - 4c\n - -1\n * - 15\n - C2/c\n - 4b\n - -1\n * - 15\n - C2/c\n - 4a\n - -1\n * - 16\n - P222\n - 4u\n - 1\n * - 16\n - P222\n - 2t\n - ..2\n * - 16\n - P222\n - 2s\n - ..2\n * - 16\n - P222\n - 2r\n - ..2\n * - 16\n - P222\n - 2q\n - ..2\n * - 16\n - P222\n - 2p\n - .2.\n * - 16\n - P222\n - 2o\n - .2.\n * - 16\n - P222\n - 2n\n - .2.\n * - 16\n - P222\n - 2m\n - .2.\n * - 16\n - P222\n - 2l\n - 2..\n * - 16\n - P222\n - 2k\n - 2..\n * - 16\n - P222\n - 2j\n - 2..\n * - 16\n - P222\n - 2i\n - 2..\n * - 16\n - P222\n - 1h\n - 222\n * - 16\n - P222\n - 1g\n - 222\n * - 16\n - P222\n - 1f\n - 222\n * - 16\n - P222\n - 1e\n - 222\n * - 16\n - P222\n - 1d\n - 222\n * - 16\n - P222\n - 1c\n - 222\n * - 16\n - P222\n - 1b\n - 222\n * - 16\n - P222\n - 1a\n - 222\n * - 17\n - P2221\n - 4e\n - 1\n * - 17\n - P2221\n - 2d\n - .2.\n * - 17\n - P2221\n - 2c\n - .2.\n * - 17\n - P2221\n - 2b\n - 2..\n * - 17\n - P2221\n - 2a\n - 2..\n * - 18\n - P21212\n - 4c\n - 1\n * - 18\n - P21212\n - 2b\n - ..2\n * - 18\n - P21212\n - 2a\n - ..2\n * - 19\n - P212121\n - 4a\n - 1\n * - 20\n - C2221\n - 8c\n - 1\n * - 20\n - C2221\n - 4b\n - .2.\n * - 20\n - C2221\n - 4a\n - 2..\n * - 21\n - C222\n - 8l\n - 1\n * - 21\n - C222\n - 4k\n - ..2\n * - 21\n - C222\n - 4j\n - ..2\n * - 21\n - C222\n - 4i\n - ..2\n * - 21\n - C222\n - 4h\n - .2.\n * - 21\n - C222\n - 4g\n - .2.\n * - 21\n - C222\n - 4f\n - 2..\n * - 21\n - C222\n - 4e\n - 2..\n * - 21\n - C222\n - 2d\n - 222\n * - 21\n - C222\n - 2c\n - 222\n * - 21\n - C222\n - 2b\n - 222\n * - 21\n - C222\n - 2a\n - 222\n * - 22\n - F222\n - 16k\n - 1\n * - 22\n - F222\n - 8j\n - 2..\n * - 22\n - F222\n - 8i\n - .2.\n * - 22\n - F222\n - 8h\n - ..2\n * - 22\n - F222\n - 8g\n - ..2\n * - 22\n - F222\n - 8f\n - .2.\n * - 22\n - F222\n - 8e\n - 2..\n * - 22\n - F222\n - 4d\n - 222\n * - 22\n - F222\n - 4c\n - 222\n * - 22\n - F222\n - 4b\n - 222\n * - 22\n - F222\n - 4a\n - 222\n * - 23\n - I222\n - 8k\n - 1\n * - 23\n - I222\n - 4j\n - ..2\n * - 23\n - I222\n - 4i\n - ..2\n * - 23\n - I222\n - 4h\n - .2.\n * - 23\n - I222\n - 4g\n - .2.\n * - 23\n - I222\n - 4f\n - 2..\n * - 23\n - I222\n - 4e\n - 2..\n * - 23\n - I222\n - 2d\n - 222\n * - 23\n - I222\n - 2c\n - 222\n * - 23\n - I222\n - 2b\n - 222\n * - 23\n - I222\n - 2a\n - 222\n * - 24\n - I212121\n - 8d\n - 1\n * - 24\n - I212121\n - 4c\n - ..2\n * - 24\n - I212121\n - 4b\n - .2.\n * - 24\n - I212121\n - 4a\n - 2..\n * - 25\n - Pmm2\n - 4i\n - 1\n * - 25\n - Pmm2\n - 2h\n - m..\n * - 25\n - Pmm2\n - 2g\n - m..\n * - 25\n - Pmm2\n - 2f\n - .m.\n * - 25\n - Pmm2\n - 2e\n - .m.\n * - 25\n - Pmm2\n - 1d\n - mm2\n * - 25\n - Pmm2\n - 1c\n - mm2\n * - 25\n - Pmm2\n - 1b\n - mm2\n * - 25\n - Pmm2\n - 1a\n - mm2\n * - 26\n - Pmc21\n - 4c\n - 1\n * - 26\n - Pmc21\n - 2b\n - m..\n * - 26\n - Pmc21\n - 2a\n - m..\n * - 27\n - Pcc2\n - 4e\n - 1\n * - 27\n - Pcc2\n - 2d\n - ..2\n * - 27\n - Pcc2\n - 2c\n - ..2\n * - 27\n - Pcc2\n - 2b\n - ..2\n * - 27\n - Pcc2\n - 2a\n - ..2\n * - 28\n - Pma2\n - 4d\n - 1\n * - 28\n - Pma2\n - 2c\n - m..\n * - 28\n - Pma2\n - 2b\n - ..2\n * - 28\n - Pma2\n - 2a\n - ..2\n * - 29\n - Pca21\n - 4a\n - 1\n * - 30\n - Pnc2\n - 4c\n - 1\n * - 30\n - Pnc2\n - 2b\n - ..2\n * - 30\n - Pnc2\n - 2a\n - ..2\n * - 31\n - Pmn21\n - 4b\n - 1\n * - 31\n - Pmn21\n - 2a\n - m..\n * - 32\n - Pba2\n - 4c\n - 1\n * - 32\n - Pba2\n - 2b\n - ..2\n * - 32\n - Pba2\n - 2a\n - ..2\n * - 33\n - Pna21\n - 4a\n - 1\n * - 34\n - Pnn2\n - 4c\n - 1\n * - 34\n - Pnn2\n - 2b\n - ..2\n * - 34\n - Pnn2\n - 2a\n - ..2\n * - 35\n - Cmm2\n - 8f\n - 1\n * - 35\n - Cmm2\n - 4e\n - m..\n * - 35\n - Cmm2\n - 4d\n - .m.\n * - 35\n - Cmm2\n - 4c\n - ..2\n * - 35\n - Cmm2\n - 2b\n - mm2\n * - 35\n - Cmm2\n - 2a\n - mm2\n * - 36\n - Cmc21\n - 8b\n - 1\n * - 36\n - Cmc21\n - 4a\n - m..\n * - 37\n - Ccc2\n - 8d\n - 1\n * - 37\n - Ccc2\n - 4c\n - ..2\n * - 37\n - Ccc2\n - 4b\n - ..2\n * - 37\n - Ccc2\n - 4a\n - ..2\n * - 38\n - Amm2\n - 8f\n - 1\n * - 38\n - Amm2\n - 4e\n - m..\n * - 38\n - Amm2\n - 4d\n - m..\n * - 38\n - Amm2\n - 4c\n - .m.\n * - 38\n - Amm2\n - 2b\n - mm2\n * - 38\n - Amm2\n - 2a\n - mm2\n * - 39\n - Aem2\n - 8d\n - 1\n * - 39\n - Aem2\n - 4c\n - .m.\n * - 39\n - Aem2\n - 4b\n - ..2\n * - 39\n - Aem2\n - 4a\n - ..2\n * - 40\n - Ama2\n - 8c\n - 1\n * - 40\n - Ama2\n - 4b\n - m..\n * - 40\n - Ama2\n - 4a\n - ..2\n * - 41\n - Aea2\n - 8b\n - 1\n * - 41\n - Aea2\n - 4a\n - ..2\n * - 42\n - Fmm2\n - 16e\n - 1\n * - 42\n - Fmm2\n - 8d\n - .m.\n * - 42\n - Fmm2\n - 8c\n - m..\n * - 42\n - Fmm2\n - 8b\n - ..2\n * - 42\n - Fmm2\n - 4a\n - mm2\n * - 43\n - Fdd2\n - 16b\n - 1\n * - 43\n - Fdd2\n - 8a\n - ..2\n * - 44\n - Imm2\n - 8e\n - 1\n * - 44\n - Imm2\n - 4d\n - m..\n * - 44\n - Imm2\n - 4c\n - .m.\n * - 44\n - Imm2\n - 2b\n - mm2\n * - 44\n - Imm2\n - 2a\n - mm2\n * - 45\n - Iba2\n - 8c\n - 1\n * - 45\n - Iba2\n - 4b\n - ..2\n * - 45\n - Iba2\n - 4a\n - ..2\n * - 46\n - Ima2\n - 8c\n - 1\n * - 46\n - Ima2\n - 4b\n - m..\n * - 46\n - Ima2\n - 4a\n - ..2\n * - 47\n - Pmmm\n - 8A\n - 1\n * - 47\n - Pmmm\n - 4z\n - ..m\n * - 47\n - Pmmm\n - 4y\n - ..m\n * - 47\n - Pmmm\n - 4x\n - .m.\n * - 47\n - Pmmm\n - 4w\n - .m.\n * - 47\n - Pmmm\n - 4v\n - m..\n * - 47\n - Pmmm\n - 4u\n - m..\n * - 47\n - Pmmm\n - 2t\n - mm2\n * - 47\n - Pmmm\n - 2s\n - mm2\n * - 47\n - Pmmm\n - 2r\n - mm2\n * - 47\n - Pmmm\n - 2q\n - mm2\n * - 47\n - Pmmm\n - 2p\n - m2m\n * - 47\n - Pmmm\n - 2o\n - m2m\n * - 47\n - Pmmm\n - 2n\n - m2m\n * - 47\n - Pmmm\n - 2m\n - m2m\n * - 47\n - Pmmm\n - 2l\n - 2mm\n * - 47\n - Pmmm\n - 2k\n - 2mm\n * - 47\n - Pmmm\n - 2j\n - 2mm\n * - 47\n - Pmmm\n - 2i\n - 2mm\n * - 47\n - Pmmm\n - 1h\n - mmm\n * - 47\n - Pmmm\n - 1g\n - mmm\n * - 47\n - Pmmm\n - 1f\n - mmm\n * - 47\n - Pmmm\n - 1e\n - mmm\n * - 47\n - Pmmm\n - 1d\n - mmm\n * - 47\n - Pmmm\n - 1c\n - mmm\n * - 47\n - Pmmm\n - 1b\n - mmm\n * - 47\n - Pmmm\n - 1a\n - mmm\n * - 48\n - Pnnn\n - 8m\n - 1\n * - 48\n - Pnnn\n - 4l\n - ..2\n * - 48\n - Pnnn\n - 4k\n - ..2\n * - 48\n - Pnnn\n - 4j\n - .2.\n * - 48\n - Pnnn\n - 4i\n - .2.\n * - 48\n - Pnnn\n - 4h\n - 2..\n * - 48\n - Pnnn\n - 4g\n - 2..\n * - 48\n - Pnnn\n - 4f\n - -1\n * - 48\n - Pnnn\n - 4e\n - -1\n * - 48\n - Pnnn\n - 2d\n - 222\n * - 48\n - Pnnn\n - 2c\n - 222\n * - 48\n - Pnnn\n - 2b\n - 222\n * - 48\n - Pnnn\n - 2a\n - 222\n * - 49\n - Pccm\n - 8r\n - 1\n * - 49\n - Pccm\n - 4q\n - ..m\n * - 49\n - Pccm\n - 4p\n - ..2\n * - 49\n - Pccm\n - 4o\n - ..2\n * - 49\n - Pccm\n - 4n\n - ..2\n * - 49\n - Pccm\n - 4m\n - ..2\n * - 49\n - Pccm\n - 4l\n - .2.\n * - 49\n - Pccm\n - 4k\n - .2.\n * - 49\n - Pccm\n - 4j\n - 2..\n * - 49\n - Pccm\n - 4i\n - 2..\n * - 49\n - Pccm\n - 2h\n - 222\n * - 49\n - Pccm\n - 2g\n - 222\n * - 49\n - Pccm\n - 2f\n - 222\n * - 49\n - Pccm\n - 2e\n - 222\n * - 49\n - Pccm\n - 2d\n - ..2/m\n * - 49\n - Pccm\n - 2c\n - ..2/m\n * - 49\n - Pccm\n - 2b\n - ..2/m\n * - 49\n - Pccm\n - 2a\n - ..2/m\n * - 50\n - Pban\n - 8m\n - 1\n * - 50\n - Pban\n - 4l\n - ..2\n * - 50\n - Pban\n - 4k\n - ..2\n * - 50\n - Pban\n - 4j\n - .2.\n * - 50\n - Pban\n - 4i\n - .2.\n * - 50\n - Pban\n - 4h\n - 2..\n * - 50\n - Pban\n - 4g\n - 2..\n * - 50\n - Pban\n - 4f\n - -1\n * - 50\n - Pban\n - 4e\n - -1\n * - 50\n - Pban\n - 2d\n - 222\n * - 50\n - Pban\n - 2c\n - 222\n * - 50\n - Pban\n - 2b\n - 222\n * - 50\n - Pban\n - 2a\n - 222\n * - 51\n - Pmma\n - 8l\n - 1\n * - 51\n - Pmma\n - 4k\n - m..\n * - 51\n - Pmma\n - 4j\n - .m.\n * - 51\n - Pmma\n - 4i\n - .m.\n * - 51\n - Pmma\n - 4h\n - .2.\n * - 51\n - Pmma\n - 4g\n - .2.\n * - 51\n - Pmma\n - 2f\n - mm2\n * - 51\n - Pmma\n - 2e\n - mm2\n * - 51\n - Pmma\n - 2d\n - .2/m.\n * - 51\n - Pmma\n - 2c\n - .2/m.\n * - 51\n - Pmma\n - 2b\n - .2/m.\n * - 51\n - Pmma\n - 2a\n - .2/m.\n * - 52\n - Pnna\n - 8e\n - 1\n * - 52\n - Pnna\n - 4d\n - 2..\n * - 52\n - Pnna\n - 4c\n - ..2\n * - 52\n - Pnna\n - 4b\n - -1\n * - 52\n - Pnna\n - 4a\n - -1\n * - 53\n - Pmna\n - 8i\n - 1\n * - 53\n - Pmna\n - 4h\n - m..\n * - 53\n - Pmna\n - 4g\n - .2.\n * - 53\n - Pmna\n - 4f\n - 2..\n * - 53\n - Pmna\n - 4e\n - 2..\n * - 53\n - Pmna\n - 2d\n - 2/m..\n * - 53\n - Pmna\n - 2c\n - 2/m..\n * - 53\n - Pmna\n - 2b\n - 2/m..\n * - 53\n - Pmna\n - 2a\n - 2/m..\n * - 54\n - Pcca\n - 8f\n - 1\n * - 54\n - Pcca\n - 4e\n - ..2\n * - 54\n - Pcca\n - 4d\n - ..2\n * - 54\n - Pcca\n - 4c\n - .2.\n * - 54\n - Pcca\n - 4b\n - -1\n * - 54\n - Pcca\n - 4a\n - -1\n * - 55\n - Pbam\n - 8i\n - 1\n * - 55\n - Pbam\n - 4h\n - ..m\n * - 55\n - Pbam\n - 4g\n - ..m\n * - 55\n - Pbam\n - 4f\n - ..2\n * - 55\n - Pbam\n - 4e\n - ..2\n * - 55\n - Pbam\n - 2d\n - ..2/m\n * - 55\n - Pbam\n - 2c\n - ..2/m\n * - 55\n - Pbam\n - 2b\n - ..2/m\n * - 55\n - Pbam\n - 2a\n - ..2/m\n * - 56\n - Pccn\n - 8e\n - 1\n * - 56\n - Pccn\n - 4d\n - ..2\n * - 56\n - Pccn\n - 4c\n - ..2\n * - 56\n - Pccn\n - 4b\n - -1\n * - 56\n - Pccn\n - 4a\n - -1\n * - 57\n - Pbcm\n - 8e\n - 1\n * - 57\n - Pbcm\n - 4d\n - ..m\n * - 57\n - Pbcm\n - 4c\n - 2..\n * - 57\n - Pbcm\n - 4b\n - -1\n * - 57\n - Pbcm\n - 4a\n - -1\n * - 58\n - Pnnm\n - 8h\n - 1\n * - 58\n - Pnnm\n - 4g\n - ..m\n * - 58\n - Pnnm\n - 4f\n - ..2\n * - 58\n - Pnnm\n - 4e\n - ..2\n * - 58\n - Pnnm\n - 2d\n - ..2/m\n * - 58\n - Pnnm\n - 2c\n - ..2/m\n * - 58\n - Pnnm\n - 2b\n - ..2/m\n * - 58\n - Pnnm\n - 2a\n - ..2/m\n * - 59\n - Pmmn\n - 8g\n - 1\n * - 59\n - Pmmn\n - 4f\n - .m.\n * - 59\n - Pmmn\n - 4e\n - m..\n * - 59\n - Pmmn\n - 4d\n - -1\n * - 59\n - Pmmn\n - 4c\n - -1\n * - 59\n - Pmmn\n - 2b\n - mm2\n * - 59\n - Pmmn\n - 2a\n - mm2\n * - 60\n - Pbcn\n - 8d\n - 1\n * - 60\n - Pbcn\n - 4c\n - .2.\n * - 60\n - Pbcn\n - 4b\n - -1\n * - 60\n - Pbcn\n - 4a\n - -1\n * - 61\n - Pbca\n - 8c\n - 1\n * - 61\n - Pbca\n - 4b\n - -1\n * - 61\n - Pbca\n - 4a\n - -1\n * - 62\n - Pnma\n - 8d\n - 1\n * - 62\n - Pnma\n - 4c\n - .m.\n * - 62\n - Pnma\n - 4b\n - -1\n * - 62\n - Pnma\n - 4a\n - -1\n * - 63\n - Cmcm\n - 16h\n - 1\n * - 63\n - Cmcm\n - 8g\n - ..m\n * - 63\n - Cmcm\n - 8f\n - m..\n * - 63\n - Cmcm\n - 8e\n - 2..\n * - 63\n - Cmcm\n - 8d\n - -1\n * - 63\n - Cmcm\n - 4c\n - m2m\n * - 63\n - Cmcm\n - 4b\n - 2/m..\n * - 63\n - Cmcm\n - 4a\n - 2/m..\n * - 64\n - Cmce\n - 16g\n - 1\n * - 64\n - Cmce\n - 8f\n - m..\n * - 64\n - Cmce\n - 8e\n - .2.\n * - 64\n - Cmce\n - 8d\n - 2..\n * - 64\n - Cmce\n - 8c\n - -1\n * - 64\n - Cmce\n - 4b\n - 2/m..\n * - 64\n - Cmce\n - 4a\n - 2/m..\n * - 65\n - Cmmm\n - 16r\n - 1\n * - 65\n - Cmmm\n - 8q\n - ..m\n * - 65\n - Cmmm\n - 8p\n - ..m\n * - 65\n - Cmmm\n - 8o\n - .m.\n * - 65\n - Cmmm\n - 8n\n - m..\n * - 65\n - Cmmm\n - 8m\n - ..2\n * - 65\n - Cmmm\n - 4l\n - mm2\n * - 65\n - Cmmm\n - 4k\n - mm2\n * - 65\n - Cmmm\n - 4j\n - m2m\n * - 65\n - Cmmm\n - 4i\n - m2m\n * - 65\n - Cmmm\n - 4h\n - 2mm\n * - 65\n - Cmmm\n - 4g\n - 2mm\n * - 65\n - Cmmm\n - 4f\n - ..2/m\n * - 65\n - Cmmm\n - 4e\n - ..2/m\n * - 65\n - Cmmm\n - 2d\n - mmm\n * - 65\n - Cmmm\n - 2c\n - mmm\n * - 65\n - Cmmm\n - 2b\n - mmm\n * - 65\n - Cmmm\n - 2a\n - mmm\n * - 66\n - Cccm\n - 16m\n - 1\n * - 66\n - Cccm\n - 8l\n - ..m\n * - 66\n - Cccm\n - 8k\n - ..2\n * - 66\n - Cccm\n - 8j\n - ..2\n * - 66\n - Cccm\n - 8i\n - ..2\n * - 66\n - Cccm\n - 8h\n - .2.\n * - 66\n - Cccm\n - 8g\n - 2..\n * - 66\n - Cccm\n - 4f\n - ..2/m\n * - 66\n - Cccm\n - 4e\n - ..2/m\n * - 66\n - Cccm\n - 4d\n - ..2/m\n * - 66\n - Cccm\n - 4c\n - ..2/m\n * - 66\n - Cccm\n - 4b\n - 222\n * - 66\n - Cccm\n - 4a\n - 222\n * - 67\n - Cmme\n - 16o\n - 1\n * - 67\n - Cmme\n - 8n\n - .m.\n * - 67\n - Cmme\n - 8m\n - m..\n * - 67\n - Cmme\n - 8l\n - ..2\n * - 67\n - Cmme\n - 8k\n - .2.\n * - 67\n - Cmme\n - 8j\n - .2.\n * - 67\n - Cmme\n - 8i\n - 2..\n * - 67\n - Cmme\n - 8h\n - 2..\n * - 67\n - Cmme\n - 4g\n - mm2\n * - 67\n - Cmme\n - 4f\n - .2/m.\n * - 67\n - Cmme\n - 4e\n - .2/m.\n * - 67\n - Cmme\n - 4d\n - 2/m..\n * - 67\n - Cmme\n - 4c\n - 2/m..\n * - 67\n - Cmme\n - 4b\n - 222\n * - 67\n - Cmme\n - 4a\n - 222\n * - 68\n - Ccce\n - 16i\n - 1\n * - 68\n - Ccce\n - 8h\n - ..2\n * - 68\n - Ccce\n - 8g\n - ..2\n * - 68\n - Ccce\n - 8f\n - .2.\n * - 68\n - Ccce\n - 8e\n - 2..\n * - 68\n - Ccce\n - 8d\n - -1\n * - 68\n - Ccce\n - 8c\n - -1\n * - 68\n - Ccce\n - 4b\n - 222\n * - 68\n - Ccce\n - 4a\n - 222\n * - 69\n - Fmmm\n - 32p\n - 1\n * - 69\n - Fmmm\n - 16o\n - ..m\n * - 69\n - Fmmm\n - 16n\n - .m.\n * - 69\n - Fmmm\n - 16m\n - m..\n * - 69\n - Fmmm\n - 16l\n - 2..\n * - 69\n - Fmmm\n - 16k\n - .2.\n * - 69\n - Fmmm\n - 16j\n - ..2\n * - 69\n - Fmmm\n - 8i\n - mm2\n * - 69\n - Fmmm\n - 8h\n - m2m\n * - 69\n - Fmmm\n - 8g\n - 2mm\n * - 69\n - Fmmm\n - 8f\n - 222\n * - 69\n - Fmmm\n - 8e\n - ..2/m\n * - 69\n - Fmmm\n - 8d\n - .2/m.\n * - 69\n - Fmmm\n - 8c\n - 2/m..\n * - 69\n - Fmmm\n - 4b\n - mmm\n * - 69\n - Fmmm\n - 4a\n - mmm\n * - 70\n - Fddd\n - 32h\n - 1\n * - 70\n - Fddd\n - 16g\n - ..2\n * - 70\n - Fddd\n - 16f\n - .2.\n * - 70\n - Fddd\n - 16e\n - 2..\n * - 70\n - Fddd\n - 16d\n - -1\n * - 70\n - Fddd\n - 16c\n - -1\n * - 70\n - Fddd\n - 8b\n - 222\n * - 70\n - Fddd\n - 8a\n - 222\n * - 71\n - Immm\n - 16o\n - 1\n * - 71\n - Immm\n - 8n\n - ..m\n * - 71\n - Immm\n - 8m\n - .m.\n * - 71\n - Immm\n - 8l\n - m..\n * - 71\n - Immm\n - 8k\n - -1\n * - 71\n - Immm\n - 4j\n - mm2\n * - 71\n - Immm\n - 4i\n - mm2\n * - 71\n - Immm\n - 4h\n - m2m\n * - 71\n - Immm\n - 4g\n - m2m\n * - 71\n - Immm\n - 4f\n - 2mm\n * - 71\n - Immm\n - 4e\n - 2mm\n * - 71\n - Immm\n - 2d\n - mmm\n * - 71\n - Immm\n - 2c\n - mmm\n * - 71\n - Immm\n - 2b\n - mmm\n * - 71\n - Immm\n - 2a\n - mmm\n * - 72\n - Ibam\n - 16k\n - 1\n * - 72\n - Ibam\n - 8j\n - ..m\n * - 72\n - Ibam\n - 8i\n - ..2\n * - 72\n - Ibam\n - 8h\n - ..2\n * - 72\n - Ibam\n - 8g\n - .2.\n * - 72\n - Ibam\n - 8f\n - 2..\n * - 72\n - Ibam\n - 8e\n - -1\n * - 72\n - Ibam\n - 4d\n - ..2/m\n * - 72\n - Ibam\n - 4c\n - ..2/m\n * - 72\n - Ibam\n - 4b\n - 222\n * - 72\n - Ibam\n - 4a\n - 222\n * - 73\n - Ibca\n - 16f\n - 1\n * - 73\n - Ibca\n - 8e\n - ..2\n * - 73\n - Ibca\n - 8d\n - .2.\n * - 73\n - Ibca\n - 8c\n - 2..\n * - 73\n - Ibca\n - 8b\n - -1\n * - 73\n - Ibca\n - 8a\n - -1\n * - 74\n - Imma\n - 16j\n - 1\n * - 74\n - Imma\n - 8i\n - .m.\n * - 74\n - Imma\n - 8h\n - m..\n * - 74\n - Imma\n - 8g\n - .2.\n * - 74\n - Imma\n - 8f\n - 2..\n * - 74\n - Imma\n - 4e\n - mm2\n * - 74\n - Imma\n - 4d\n - .2/m.\n * - 74\n - Imma\n - 4c\n - .2/m.\n * - 74\n - Imma\n - 4b\n - 2/m..\n * - 74\n - Imma\n - 4a\n - 2/m..\n * - 75\n - P4\n - 4d\n - 1\n * - 75\n - P4\n - 2c\n - 2..\n * - 75\n - P4\n - 1b\n - 4..\n * - 75\n - P4\n - 1a\n - 4..\n * - 76\n - P41\n - 4a\n - 1\n * - 77\n - P42\n - 4d\n - 1\n * - 77\n - P42\n - 2c\n - 2..\n * - 77\n - P42\n - 2b\n - 2..\n * - 77\n - P42\n - 2a\n - 2..\n * - 78\n - P43\n - 4a\n - 1\n * - 79\n - I4\n - 8c\n - 1\n * - 79\n - I4\n - 4b\n - 2..\n * - 79\n - I4\n - 2a\n - 4..\n * - 80\n - I41\n - 8b\n - 1\n * - 80\n - I41\n - 4a\n - 2..\n * - 81\n - P-4\n - 4h\n - 1\n * - 81\n - P-4\n - 2g\n - 2..\n * - 81\n - P-4\n - 2f\n - 2..\n * - 81\n - P-4\n - 2e\n - 2..\n * - 81\n - P-4\n - 1d\n - -4..\n * - 81\n - P-4\n - 1c\n - -4..\n * - 81\n - P-4\n - 1b\n - -4..\n * - 81\n - P-4\n - 1a\n - -4..\n * - 82\n - I-4\n - 8g\n - 1\n * - 82\n - I-4\n - 4f\n - 2..\n * - 82\n - I-4\n - 4e\n - 2..\n * - 82\n - I-4\n - 2d\n - -4..\n * - 82\n - I-4\n - 2c\n - -4..\n * - 82\n - I-4\n - 2b\n - -4..\n * - 82\n - I-4\n - 2a\n - -4..\n * - 83\n - P4/m\n - 8l\n - 1\n * - 83\n - P4/m\n - 4k\n - m..\n * - 83\n - P4/m\n - 4j\n - m..\n * - 83\n - P4/m\n - 4i\n - 2..\n * - 83\n - P4/m\n - 2h\n - 4..\n * - 83\n - P4/m\n - 2g\n - 4..\n * - 83\n - P4/m\n - 2f\n - 2/m..\n * - 83\n - P4/m\n - 2e\n - 2/m..\n * - 83\n - P4/m\n - 1d\n - 4/m..\n * - 83\n - P4/m\n - 1c\n - 4/m..\n * - 83\n - P4/m\n - 1b\n - 4/m..\n * - 83\n - P4/m\n - 1a\n - 4/m..\n * - 84\n - P42/m\n - 8k\n - 1\n * - 84\n - P42/m\n - 4j\n - m..\n * - 84\n - P42/m\n - 4i\n - 2..\n * - 84\n - P42/m\n - 4h\n - 2..\n * - 84\n - P42/m\n - 4g\n - 2..\n * - 84\n - P42/m\n - 2f\n - -4..\n * - 84\n - P42/m\n - 2e\n - -4..\n * - 84\n - P42/m\n - 2d\n - 2/m..\n * - 84\n - P42/m\n - 2c\n - 2/m..\n * - 84\n - P42/m\n - 2b\n - 2/m..\n * - 84\n - P42/m\n - 2a\n - 2/m..\n * - 85\n - P4/n\n - 8g\n - 1\n * - 85\n - P4/n\n - 4f\n - 2..\n * - 85\n - P4/n\n - 4e\n - -1\n * - 85\n - P4/n\n - 4d\n - -1\n * - 85\n - P4/n\n - 2c\n - 4..\n * - 85\n - P4/n\n - 2b\n - -4..\n * - 85\n - P4/n\n - 2a\n - -4..\n * - 86\n - P42/n\n - 8g\n - 1\n * - 86\n - P42/n\n - 4f\n - 2..\n * - 86\n - P42/n\n - 4e\n - 2..\n * - 86\n - P42/n\n - 4d\n - -1\n * - 86\n - P42/n\n - 4c\n - -1\n * - 86\n - P42/n\n - 2b\n - -4..\n * - 86\n - P42/n\n - 2a\n - -4..\n * - 87\n - I4/m\n - 16i\n - 1\n * - 87\n - I4/m\n - 8h\n - m..\n * - 87\n - I4/m\n - 8g\n - 2..\n * - 87\n - I4/m\n - 8f\n - -1\n * - 87\n - I4/m\n - 4e\n - 4..\n * - 87\n - I4/m\n - 4d\n - -4..\n * - 87\n - I4/m\n - 4c\n - 2/m..\n * - 87\n - I4/m\n - 2b\n - 4/m..\n * - 87\n - I4/m\n - 2a\n - 4/m..\n * - 88\n - I41/a\n - 16f\n - 1\n * - 88\n - I41/a\n - 8e\n - 2..\n * - 88\n - I41/a\n - 8d\n - -1\n * - 88\n - I41/a\n - 8c\n - -1\n * - 88\n - I41/a\n - 4b\n - -4..\n * - 88\n - I41/a\n - 4a\n - -4..\n * - 89\n - P422\n - 8p\n - 1\n * - 89\n - P422\n - 4o\n - .2.\n * - 89\n - P422\n - 4n\n - .2.\n * - 89\n - P422\n - 4m\n - .2.\n * - 89\n - P422\n - 4l\n - .2.\n * - 89\n - P422\n - 4k\n - ..2\n * - 89\n - P422\n - 4j\n - ..2\n * - 89\n - P422\n - 4i\n - 2..\n * - 89\n - P422\n - 2h\n - 4..\n * - 89\n - P422\n - 2g\n - 4..\n * - 89\n - P422\n - 2f\n - 222.\\\n * - 89\n - P422\n - 2e\n - 222.\\\n * - 89\n - P422\n - 1d\n - 422\n * - 89\n - P422\n - 1c\n - 422\n * - 89\n - P422\n - 1b\n - 422\n * - 89\n - P422\n - 1a\n - 422\n * - 90\n - P4212\n - 8g\n - 1\n * - 90\n - P4212\n - 4f\n - ..2\n * - 90\n - P4212\n - 4e\n - ..2\n * - 90\n - P4212\n - 4d\n - 2..\n * - 90\n - P4212\n - 2c\n - 4..\n * - 90\n - P4212\n - 2b\n - 2.22\n * - 90\n - P4212\n - 2a\n - 2.22\n * - 91\n - P4122\n - 8d\n - 1\n * - 91\n - P4122\n - 4c\n - ..2\n * - 91\n - P4122\n - 4b\n - .2.\n * - 91\n - P4122\n - 4a\n - .2.\n * - 92\n - P41212\n - 8b\n - 1\n * - 92\n - P41212\n - 4a\n - ..2\n * - 93\n - P4222\n - 8p\n - 1\n * - 93\n - P4222\n - 4o\n - ..2\n * - 93\n - P4222\n - 4n\n - ..2\n * - 93\n - P4222\n - 4m\n - .2.\n * - 93\n - P4222\n - 4l\n - .2.\n * - 93\n - P4222\n - 4k\n - .2.\n * - 93\n - P4222\n - 4j\n - .2.\n * - 93\n - P4222\n - 4i\n - 2..\n * - 93\n - P4222\n - 4h\n - 2..\n * - 93\n - P4222\n - 4g\n - 2..\n * - 93\n - P4222\n - 2f\n - 2.22\n * - 93\n - P4222\n - 2e\n - 2.22\n * - 93\n - P4222\n - 2d\n - 222.\\\n * - 93\n - P4222\n - 2c\n - 222.\\\n * - 93\n - P4222\n - 2b\n - 222.\\\n * - 93\n - P4222\n - 2a\n - 222.\\\n * - 94\n - P42212\n - 8g\n - 1\n * - 94\n - P42212\n - 4f\n - ..2\n * - 94\n - P42212\n - 4e\n - ..2\n * - 94\n - P42212\n - 4d\n - 2..\n * - 94\n - P42212\n - 4c\n - 2..\n * - 94\n - P42212\n - 2b\n - 2.22\n * - 94\n - P42212\n - 2a\n - 2.22\n * - 95\n - P4322\n - 8d\n - 1\n * - 95\n - P4322\n - 4c\n - ..2\n * - 95\n - P4322\n - 4b\n - .2.\n * - 95\n - P4322\n - 4a\n - .2.\n * - 96\n - P43212\n - 8b\n - 1\n * - 96\n - P43212\n - 4a\n - ..2\n * - 97\n - I422\n - 16k\n - 1\n * - 97\n - I422\n - 8j\n - ..2\n * - 97\n - I422\n - 8i\n - .2.\n * - 97\n - I422\n - 8h\n - .2.\n * - 97\n - I422\n - 8g\n - ..2\n * - 97\n - I422\n - 8f\n - 2..\n * - 97\n - I422\n - 4e\n - 4..\n * - 97\n - I422\n - 4d\n - 2.22\n * - 97\n - I422\n - 4c\n - 222.\\\n * - 97\n - I422\n - 2b\n - 422\n * - 97\n - I422\n - 2a\n - 422\n * - 98\n - I4122\n - 16g\n - 1\n * - 98\n - I4122\n - 8f\n - .2.\n * - 98\n - I4122\n - 8e\n - ..2\n * - 98\n - I4122\n - 8d\n - ..2\n * - 98\n - I4122\n - 8c\n - 2..\n * - 98\n - I4122\n - 4b\n - 2.22\n * - 98\n - I4122\n - 4a\n - 2.22\n * - 99\n - P4mm\n - 8g\n - 1\n * - 99\n - P4mm\n - 4f\n - .m.\n * - 99\n - P4mm\n - 4e\n - .m.\n * - 99\n - P4mm\n - 4d\n - ..m\n * - 99\n - P4mm\n - 2c\n - 2mm.\n * - 99\n - P4mm\n - 1b\n - 4mm\n * - 99\n - P4mm\n - 1a\n - 4mm\n * - 100\n - P4bm\n - 8d\n - 1\n * - 100\n - P4bm\n - 4c\n - ..m\n * - 100\n - P4bm\n - 2b\n - 2.mm\n * - 100\n - P4bm\n - 2a\n - 4..\n * - 101\n - P42cm\n - 8e\n - 1\n * - 101\n - P42cm\n - 4d\n - ..m\n * - 101\n - P42cm\n - 4c\n - 2..\n * - 101\n - P42cm\n - 2b\n - 2.mm\n * - 101\n - P42cm\n - 2a\n - 2.mm\n * - 102\n - P42nm\n - 8d\n - 1\n * - 102\n - P42nm\n - 4c\n - ..m\n * - 102\n - P42nm\n - 4b\n - 2..\n * - 102\n - P42nm\n - 2a\n - 2.mm\n * - 103\n - P4cc\n - 8d\n - 1\n * - 103\n - P4cc\n - 4c\n - 2..\n * - 103\n - P4cc\n - 2b\n - 4..\n * - 103\n - P4cc\n - 2a\n - 4..\n * - 104\n - P4nc\n - 8c\n - 1\n * - 104\n - P4nc\n - 4b\n - 2..\n * - 104\n - P4nc\n - 2a\n - 4..\n * - 105\n - P42mc\n - 8f\n - 1\n * - 105\n - P42mc\n - 4e\n - .m.\n * - 105\n - P42mc\n - 4d\n - .m.\n * - 105\n - P42mc\n - 2c\n - 2mm.\n * - 105\n - P42mc\n - 2b\n - 2mm.\n * - 105\n - P42mc\n - 2a\n - 2mm.\n * - 106\n - P42bc\n - 8c\n - 1\n * - 106\n - P42bc\n - 4b\n - 2..\n * - 106\n - P42bc\n - 4a\n - 2..\n * - 107\n - I4mm\n - 16e\n - 1\n * - 107\n - I4mm\n - 8d\n - .m.\n * - 107\n - I4mm\n - 8c\n - ..m\n * - 107\n - I4mm\n - 4b\n - 2mm.\n * - 107\n - I4mm\n - 2a\n - 4mm\n * - 108\n - I4cm\n - 16d\n - 1\n * - 108\n - I4cm\n - 8c\n - ..m\n * - 108\n - I4cm\n - 4b\n - 2.mm\n * - 108\n - I4cm\n - 4a\n - 4..\n * - 109\n - I41md\n - 16c\n - 1\n * - 109\n - I41md\n - 8b\n - .m.\n * - 109\n - I41md\n - 4a\n - 2mm.\n * - 110\n - I41cd\n - 16b\n - 1\n * - 110\n - I41cd\n - 8a\n - 2..\n * - 111\n - P-42m\n - 8o\n - 1\n * - 111\n - P-42m\n - 4n\n - ..m\n * - 111\n - P-42m\n - 4m\n - 2..\n * - 111\n - P-42m\n - 4l\n - .2.\n * - 111\n - P-42m\n - 4k\n - .2.\n * - 111\n - P-42m\n - 4j\n - .2.\n * - 111\n - P-42m\n - 4i\n - .2.\n * - 111\n - P-42m\n - 2h\n - 2.mm\n * - 111\n - P-42m\n - 2g\n - 2.mm\n * - 111\n - P-42m\n - 2f\n - 222.\\\n * - 111\n - P-42m\n - 2e\n - 222.\\\n * - 111\n - P-42m\n - 1d\n - -42m\n * - 111\n - P-42m\n - 1c\n - -42m\n * - 111\n - P-42m\n - 1b\n - -42m\n * - 111\n - P-42m\n - 1a\n - -42m\n * - 112\n - P-42c\n - 8n\n - 1\n * - 112\n - P-42c\n - 4m\n - 2..\n * - 112\n - P-42c\n - 4l\n - 2..\n * - 112\n - P-42c\n - 4k\n - 2..\n * - 112\n - P-42c\n - 4j\n - .2.\n * - 112\n - P-42c\n - 4i\n - .2.\n * - 112\n - P-42c\n - 4h\n - .2.\n * - 112\n - P-42c\n - 4g\n - .2.\n * - 112\n - P-42c\n - 2f\n - -4..\n * - 112\n - P-42c\n - 2e\n - -4..\n * - 112\n - P-42c\n - 2d\n - 222.\\\n * - 112\n - P-42c\n - 2c\n - 222.\\\n * - 112\n - P-42c\n - 2b\n - 222.\\\n * - 112\n - P-42c\n - 2a\n - 222.\\\n * - 113\n - P-421m\n - 8f\n - 1\n * - 113\n - P-421m\n - 4e\n - ..m\n * - 113\n - P-421m\n - 4d\n - 2..\n * - 113\n - P-421m\n - 2c\n - 2.mm\n * - 113\n - P-421m\n - 2b\n - -4..\n * - 113\n - P-421m\n - 2a\n - -4..\n * - 114\n - P-421c\n - 8e\n - 1\n * - 114\n - P-421c\n - 4d\n - 2..\n * - 114\n - P-421c\n - 4c\n - 2..\n * - 114\n - P-421c\n - 2b\n - -4..\n * - 114\n - P-421c\n - 2a\n - -4..\n * - 115\n - P-4m2\n - 8l\n - 1\n * - 115\n - P-4m2\n - 4k\n - .m.\n * - 115\n - P-4m2\n - 4j\n - .m.\n * - 115\n - P-4m2\n - 4i\n - ..2\n * - 115\n - P-4m2\n - 4h\n - ..2\n * - 115\n - P-4m2\n - 2g\n - 2mm.\n * - 115\n - P-4m2\n - 2f\n - 2mm.\n * - 115\n - P-4m2\n - 2e\n - 2mm.\n * - 115\n - P-4m2\n - 1d\n - -4m2\n * - 115\n - P-4m2\n - 1c\n - -4m2\n * - 115\n - P-4m2\n - 1b\n - -4m2\n * - 115\n - P-4m2\n - 1a\n - -4m2\n * - 116\n - P-4c2\n - 8j\n - 1\n * - 116\n - P-4c2\n - 4i\n - 2..\n * - 116\n - P-4c2\n - 4h\n - 2..\n * - 116\n - P-4c2\n - 4g\n - 2..\n * - 116\n - P-4c2\n - 4f\n - ..2\n * - 116\n - P-4c2\n - 4e\n - ..2\n * - 116\n - P-4c2\n - 2d\n - -4..\n * - 116\n - P-4c2\n - 2c\n - -4..\n * - 116\n - P-4c2\n - 2b\n - 2.22\n * - 116\n - P-4c2\n - 2a\n - 2.22\n * - 117\n - P-4b2\n - 8i\n - 1\n * - 117\n - P-4b2\n - 4h\n - ..2\n * - 117\n - P-4b2\n - 4g\n - ..2\n * - 117\n - P-4b2\n - 4f\n - 2..\n * - 117\n - P-4b2\n - 4e\n - 2..\n * - 117\n - P-4b2\n - 2d\n - 2.22\n * - 117\n - P-4b2\n - 2c\n - 2.22\n * - 117\n - P-4b2\n - 2b\n - -4..\n * - 117\n - P-4b2\n - 2a\n - -4..\n * - 118\n - P-4n2\n - 8i\n - 1\n * - 118\n - P-4n2\n - 4h\n - 2..\n * - 118\n - P-4n2\n - 4g\n - ..2\n * - 118\n - P-4n2\n - 4f\n - ..2\n * - 118\n - P-4n2\n - 4e\n - 2..\n * - 118\n - P-4n2\n - 2d\n - 2.22\n * - 118\n - P-4n2\n - 2c\n - 2.22\n * - 118\n - P-4n2\n - 2b\n - -4..\n * - 118\n - P-4n2\n - 2a\n - -4..\n * - 119\n - I-4m2\n - 16j\n - 1\n * - 119\n - I-4m2\n - 8i\n - .m.\n * - 119\n - I-4m2\n - 8h\n - ..2\n * - 119\n - I-4m2\n - 8g\n - ..2\n * - 119\n - I-4m2\n - 4f\n - 2mm.\n * - 119\n - I-4m2\n - 4e\n - 2mm.\n * - 119\n - I-4m2\n - 2d\n - -4m2\n * - 119\n - I-4m2\n - 2c\n - -4m2\n * - 119\n - I-4m2\n - 2b\n - -4m2\n * - 119\n - I-4m2\n - 2a\n - -4m2\n * - 120\n - I-4c2\n - 16i\n - 1\n * - 120\n - I-4c2\n - 8h\n - ..2\n * - 120\n - I-4c2\n - 8g\n - 2..\n * - 120\n - I-4c2\n - 8f\n - 2..\n * - 120\n - I-4c2\n - 8e\n - ..2\n * - 120\n - I-4c2\n - 4d\n - 2.22\n * - 120\n - I-4c2\n - 4c\n - -4..\n * - 120\n - I-4c2\n - 4b\n - -4..\n * - 120\n - I-4c2\n - 4a\n - 2.22\n * - 121\n - I-42m\n - 16j\n - 1\n * - 121\n - I-42m\n - 8i\n - ..m\n * - 121\n - I-42m\n - 8h\n - 2..\n * - 121\n - I-42m\n - 8g\n - .2.\n * - 121\n - I-42m\n - 8f\n - .2.\n * - 121\n - I-42m\n - 4e\n - 2.mm\n * - 121\n - I-42m\n - 4d\n - -4..\n * - 121\n - I-42m\n - 4c\n - 222.\\\n * - 121\n - I-42m\n - 2b\n - -42m\n * - 121\n - I-42m\n - 2a\n - -42m\n * - 122\n - I-42d\n - 16e\n - 1\n * - 122\n - I-42d\n - 8d\n - .2.\n * - 122\n - I-42d\n - 8c\n - 2..\n * - 122\n - I-42d\n - 4b\n - -4..\n * - 122\n - I-42d\n - 4a\n - -4..\n * - 123\n - P4/mmm\n - 16u\n - 1\n * - 123\n - P4/mmm\n - 8t\n - .m.\n * - 123\n - P4/mmm\n - 8s\n - .m.\n * - 123\n - P4/mmm\n - 8r\n - ..m\n * - 123\n - P4/mmm\n - 8q\n - m..\n * - 123\n - P4/mmm\n - 8p\n - m..\n * - 123\n - P4/mmm\n - 4o\n - m2m.\n * - 123\n - P4/mmm\n - 4n\n - m2m.\n * - 123\n - P4/mmm\n - 4m\n - m2m.\n * - 123\n - P4/mmm\n - 4l\n - m2m.\n * - 123\n - P4/mmm\n - 4k\n - m.2m\n * - 123\n - P4/mmm\n - 4j\n - m.2m\n * - 123\n - P4/mmm\n - 4i\n - 2mm.\n * - 123\n - P4/mmm\n - 2h\n - 4mm\n * - 123\n - P4/mmm\n - 2g\n - 4mm\n * - 123\n - P4/mmm\n - 2f\n - mmm.\\\n * - 123\n - P4/mmm\n - 2e\n - mmm.\\\n * - 123\n - P4/mmm\n - 1d\n - 4/mmm\n * - 123\n - P4/mmm\n - 1c\n - 4/mmm\n * - 123\n - P4/mmm\n - 1b\n - 4/mmm\n * - 123\n - P4/mmm\n - 1a\n - 4/mmm\n * - 124\n - P4/mcc\n - 16n\n - 1\n * - 124\n - P4/mcc\n - 8m\n - m..\n * - 124\n - P4/mcc\n - 8l\n - .2.\n * - 124\n - P4/mcc\n - 8k\n - .2.\n * - 124\n - P4/mcc\n - 8j\n - ..2\n * - 124\n - P4/mcc\n - 8i\n - 2..\n * - 124\n - P4/mcc\n - 4h\n - 4..\n * - 124\n - P4/mcc\n - 4g\n - 4..\n * - 124\n - P4/mcc\n - 4f\n - 222.\\\n * - 124\n - P4/mcc\n - 4e\n - 2/m..\n * - 124\n - P4/mcc\n - 2d\n - 4/m..\n * - 124\n - P4/mcc\n - 2c\n - 422\n * - 124\n - P4/mcc\n - 2b\n - 4/m..\n * - 124\n - P4/mcc\n - 2a\n - 422\n * - 125\n - P4/nbm\n - 16n\n - 1\n * - 125\n - P4/nbm\n - 8m\n - ..m\n * - 125\n - P4/nbm\n - 8l\n - .2.\n * - 125\n - P4/nbm\n - 8k\n - .2.\n * - 125\n - P4/nbm\n - 8j\n - ..2\n * - 125\n - P4/nbm\n - 8i\n - ..2\n * - 125\n - P4/nbm\n - 4h\n - 2.mm\n * - 125\n - P4/nbm\n - 4g\n - 4..\n * - 125\n - P4/nbm\n - 4f\n - ..2/m\n * - 125\n - P4/nbm\n - 4e\n - ..2/m\n * - 125\n - P4/nbm\n - 2d\n - -42m\n * - 125\n - P4/nbm\n - 2c\n - -42m\n * - 125\n - P4/nbm\n - 2b\n - 422\n * - 125\n - P4/nbm\n - 2a\n - 422\n * - 126\n - P4/nnc\n - 16k\n - 1\n * - 126\n - P4/nnc\n - 8j\n - .2.\n * - 126\n - P4/nnc\n - 8i\n - .2.\n * - 126\n - P4/nnc\n - 8h\n - ..2\n * - 126\n - P4/nnc\n - 8g\n - 2..\n * - 126\n - P4/nnc\n - 8f\n - -1\n * - 126\n - P4/nnc\n - 4e\n - 4..\n * - 126\n - P4/nnc\n - 4d\n - -4..\n * - 126\n - P4/nnc\n - 4c\n - 222.\\\n * - 126\n - P4/nnc\n - 2b\n - 422\n * - 126\n - P4/nnc\n - 2a\n - 422\n * - 127\n - P4/mbm\n - 16l\n - 1\n * - 127\n - P4/mbm\n - 8k\n - ..m\n * - 127\n - P4/mbm\n - 8j\n - m..\n * - 127\n - P4/mbm\n - 8i\n - m..\n * - 127\n - P4/mbm\n - 4h\n - m.2m\n * - 127\n - P4/mbm\n - 4g\n - m.2m\n * - 127\n - P4/mbm\n - 4f\n - 2.mm\n * - 127\n - P4/mbm\n - 4e\n - 4..\n * - 127\n - P4/mbm\n - 2d\n - m.mm\n * - 127\n - P4/mbm\n - 2c\n - m.mm\n * - 127\n - P4/mbm\n - 2b\n - 4/m..\n * - 127\n - P4/mbm\n - 2a\n - 4/m..\n * - 128\n - P4/mnc\n - 16i\n - 1\n * - 128\n - P4/mnc\n - 8h\n - m..\n * - 128\n - P4/mnc\n - 8g\n - ..2\n * - 128\n - P4/mnc\n - 8f\n - 2..\n * - 128\n - P4/mnc\n - 4e\n - 4..\n * - 128\n - P4/mnc\n - 4d\n - 2.22\n * - 128\n - P4/mnc\n - 4c\n - 2/m..\n * - 128\n - P4/mnc\n - 2b\n - 4/m..\n * - 128\n - P4/mnc\n - 2a\n - 4/m..\n * - 129\n - P4/nmm\n - 16k\n - 1\n * - 129\n - P4/nmm\n - 8j\n - ..m\n * - 129\n - P4/nmm\n - 8i\n - .m.\n * - 129\n - P4/nmm\n - 8h\n - ..2\n * - 129\n - P4/nmm\n - 8g\n - ..2\n * - 129\n - P4/nmm\n - 4f\n - 2mm.\n * - 129\n - P4/nmm\n - 4e\n - ..2/m\n * - 129\n - P4/nmm\n - 4d\n - ..2/m\n * - 129\n - P4/nmm\n - 2c\n - 4mm\n * - 129\n - P4/nmm\n - 2b\n - -4m2\n * - 129\n - P4/nmm\n - 2a\n - -4m2\n * - 130\n - P4/ncc\n - 16g\n - 1\n * - 130\n - P4/ncc\n - 8f\n - ..2\n * - 130\n - P4/ncc\n - 8e\n - 2..\n * - 130\n - P4/ncc\n - 8d\n - -1\n * - 130\n - P4/ncc\n - 4c\n - 4..\n * - 130\n - P4/ncc\n - 4b\n - -4..\n * - 130\n - P4/ncc\n - 4a\n - 2.22\n * - 131\n - P42/mmc\n - 16r\n - 1\n * - 131\n - P42/mmc\n - 8q\n - m..\n * - 131\n - P42/mmc\n - 8p\n - .m.\n * - 131\n - P42/mmc\n - 8o\n - .m.\n * - 131\n - P42/mmc\n - 8n\n - ..2\n * - 131\n - P42/mmc\n - 4m\n - m2m.\n * - 131\n - P42/mmc\n - 4l\n - m2m.\n * - 131\n - P42/mmc\n - 4k\n - m2m.\n * - 131\n - P42/mmc\n - 4j\n - m2m.\n * - 131\n - P42/mmc\n - 4i\n - 2mm.\n * - 131\n - P42/mmc\n - 4h\n - 2mm.\n * - 131\n - P42/mmc\n - 4g\n - 2mm.\n * - 131\n - P42/mmc\n - 2f\n - -4m2\n * - 131\n - P42/mmc\n - 2e\n - -4m2\n * - 131\n - P42/mmc\n - 2d\n - mmm.\\\n * - 131\n - P42/mmc\n - 2c\n - mmm.\\\n * - 131\n - P42/mmc\n - 2b\n - mmm.\\\n * - 131\n - P42/mmc\n - 2a\n - mmm.\\\n * - 132\n - P42/mcm\n - 16p\n - 1\n * - 132\n - P42/mcm\n - 8o\n - ..m\n * - 132\n - P42/mcm\n - 8n\n - m..\n * - 132\n - P42/mcm\n - 8m\n - .2.\n * - 132\n - P42/mcm\n - 8l\n - .2.\n * - 132\n - P42/mcm\n - 8k\n - 2..\n * - 132\n - P42/mcm\n - 4j\n - m.2m\n * - 132\n - P42/mcm\n - 4i\n - m.2m\n * - 132\n - P42/mcm\n - 4h\n - 2.mm\n * - 132\n - P42/mcm\n - 4g\n - 2.mm\n * - 132\n - P42/mcm\n - 4f\n - 2/m..\n * - 132\n - P42/mcm\n - 4e\n - 222.\\\n * - 132\n - P42/mcm\n - 2d\n - -42m\n * - 132\n - P42/mcm\n - 2c\n - m.mm\n * - 132\n - P42/mcm\n - 2b\n - -42m\n * - 132\n - P42/mcm\n - 2a\n - m.mm\n * - 133\n - P42/nbc\n - 16k\n - 1\n * - 133\n - P42/nbc\n - 8j\n - ..2\n * - 133\n - P42/nbc\n - 8i\n - .2.\n * - 133\n - P42/nbc\n - 8h\n - .2.\n * - 133\n - P42/nbc\n - 8g\n - 2..\n * - 133\n - P42/nbc\n - 8f\n - 2..\n * - 133\n - P42/nbc\n - 8e\n - -1\n * - 133\n - P42/nbc\n - 4d\n - -4..\n * - 133\n - P42/nbc\n - 4c\n - 2.22\n * - 133\n - P42/nbc\n - 4b\n - 222.\\\n * - 133\n - P42/nbc\n - 4a\n - 222.\\\n * - 134\n - P42/nnm\n - 16n\n - 1\n * - 134\n - P42/nnm\n - 8m\n - ..m\n * - 134\n - P42/nnm\n - 8l\n - ..2\n * - 134\n - P42/nnm\n - 8k\n - ..2\n * - 134\n - P42/nnm\n - 8j\n - .2.\n * - 134\n - P42/nnm\n - 8i\n - .2.\n * - 134\n - P42/nnm\n - 8h\n - 2..\n * - 134\n - P42/nnm\n - 4g\n - 2.mm\n * - 134\n - P42/nnm\n - 4f\n - ..2/m\n * - 134\n - P42/nnm\n - 4e\n - ..2/m\n * - 134\n - P42/nnm\n - 4d\n - 2.22\n * - 134\n - P42/nnm\n - 4c\n - 222.\\\n * - 134\n - P42/nnm\n - 2b\n - -42m\n * - 134\n - P42/nnm\n - 2a\n - -42m\n * - 135\n - P42/mbc\n - 16i\n - 1\n * - 135\n - P42/mbc\n - 8h\n - m..\n * - 135\n - P42/mbc\n - 8g\n - ..2\n * - 135\n - P42/mbc\n - 8f\n - 2..\n * - 135\n - P42/mbc\n - 8e\n - 2..\n * - 135\n - P42/mbc\n - 4d\n - 2.22\n * - 135\n - P42/mbc\n - 4c\n - 2/m..\n * - 135\n - P42/mbc\n - 4b\n - -4..\n * - 135\n - P42/mbc\n - 4a\n - 2/m..\n * - 136\n - P42/mnm\n - 16k\n - 1\n * - 136\n - P42/mnm\n - 8j\n - ..m\n * - 136\n - P42/mnm\n - 8i\n - m..\n * - 136\n - P42/mnm\n - 8h\n - 2..\n * - 136\n - P42/mnm\n - 4g\n - m.2m\n * - 136\n - P42/mnm\n - 4f\n - m.2m\n * - 136\n - P42/mnm\n - 4e\n - 2.mm\n * - 136\n - P42/mnm\n - 4d\n - -4..\n * - 136\n - P42/mnm\n - 4c\n - 2/m..\n * - 136\n - P42/mnm\n - 2b\n - m.mm\n * - 136\n - P42/mnm\n - 2a\n - m.mm\n * - 137\n - P42/nmc\n - 16h\n - 1\n * - 137\n - P42/nmc\n - 8g\n - .m.\n * - 137\n - P42/nmc\n - 8f\n - ..2\n * - 137\n - P42/nmc\n - 8e\n - -1\n * - 137\n - P42/nmc\n - 4d\n - 2mm.\n * - 137\n - P42/nmc\n - 4c\n - 2mm.\n * - 137\n - P42/nmc\n - 2b\n - -4m2\n * - 137\n - P42/nmc\n - 2a\n - -4m2\n * - 138\n - P42/ncm\n - 16j\n - 1\n * - 138\n - P42/ncm\n - 8i\n - ..m\n * - 138\n - P42/ncm\n - 8h\n - ..2\n * - 138\n - P42/ncm\n - 8g\n - ..2\n * - 138\n - P42/ncm\n - 8f\n - 2..\n * - 138\n - P42/ncm\n - 4e\n - 2.mm\n * - 138\n - P42/ncm\n - 4d\n - ..2/m\n * - 138\n - P42/ncm\n - 4c\n - ..2/m\n * - 138\n - P42/ncm\n - 4b\n - -4..\n * - 138\n - P42/ncm\n - 4a\n - 2.22\n * - 139\n - I4/mmm\n - 32o\n - 1\n * - 139\n - I4/mmm\n - 16n\n - .m.\n * - 139\n - I4/mmm\n - 16m\n - ..m\n * - 139\n - I4/mmm\n - 16l\n - m..\n * - 139\n - I4/mmm\n - 16k\n - ..2\n * - 139\n - I4/mmm\n - 8j\n - m2m.\n * - 139\n - I4/mmm\n - 8i\n - m2m.\n * - 139\n - I4/mmm\n - 8h\n - m.2m\n * - 139\n - I4/mmm\n - 8g\n - 2mm.\n * - 139\n - I4/mmm\n - 8f\n - ..2/m\n * - 139\n - I4/mmm\n - 4e\n - 4mm\n * - 139\n - I4/mmm\n - 4d\n - -4m2\n * - 139\n - I4/mmm\n - 4c\n - mmm.\\\n * - 139\n - I4/mmm\n - 2b\n - 4/mmm\n * - 139\n - I4/mmm\n - 2a\n - 4/mmm\n * - 140\n - I4/mcm\n - 32m\n - 1\n * - 140\n - I4/mcm\n - 16l\n - ..m\n * - 140\n - I4/mcm\n - 16k\n - m..\n * - 140\n - I4/mcm\n - 16j\n - .2.\n * - 140\n - I4/mcm\n - 16i\n - ..2\n * - 140\n - I4/mcm\n - 8h\n - m.2m\n * - 140\n - I4/mcm\n - 8g\n - 2.mm\n * - 140\n - I4/mcm\n - 8f\n - 4..\n * - 140\n - I4/mcm\n - 8e\n - ..2/m\n * - 140\n - I4/mcm\n - 4d\n - m.mm\n * - 140\n - I4/mcm\n - 4c\n - 4/m..\n * - 140\n - I4/mcm\n - 4b\n - -42m\n * - 140\n - I4/mcm\n - 4a\n - 422\n * - 141\n - I41/amd\n - 32i\n - 1\n * - 141\n - I41/amd\n - 16h\n - .m.\n * - 141\n - I41/amd\n - 16g\n - ..2\n * - 141\n - I41/amd\n - 16f\n - .2.\n * - 141\n - I41/amd\n - 8e\n - 2mm.\n * - 141\n - I41/amd\n - 8d\n - .2/m.\n * - 141\n - I41/amd\n - 8c\n - .2/m.\n * - 141\n - I41/amd\n - 4b\n - -4m2\n * - 141\n - I41/amd\n - 4a\n - -4m2\n * - 142\n - I41/acd\n - 32g\n - 1\n * - 142\n - I41/acd\n - 16f\n - ..2\n * - 142\n - I41/acd\n - 16e\n - .2.\n * - 142\n - I41/acd\n - 16d\n - 2..\n * - 142\n - I41/acd\n - 16c\n - -1\n * - 142\n - I41/acd\n - 8b\n - 2.22\n * - 142\n - I41/acd\n - 8a\n - -4..\n * - 143\n - P3\n - 3d\n - 1\n * - 143\n - P3\n - 1c\n - 3..\n * - 143\n - P3\n - 1b\n - 3..\n * - 143\n - P3\n - 1a\n - 3..\n * - 144\n - P31\n - 3a\n - 1\n * - 145\n - P32\n - 3a\n - 1\n * - 146\n - R3\n - 9b\n - 1\n * - 146\n - R3\n - 3a\n - 3.\\\n * - 147\n - P-3\n - 6g\n - 1\n * - 147\n - P-3\n - 3f\n - -1\n * - 147\n - P-3\n - 3e\n - -1\n * - 147\n - P-3\n - 2d\n - 3..\n * - 147\n - P-3\n - 2c\n - 3..\n * - 147\n - P-3\n - 1b\n - -3..\n * - 147\n - P-3\n - 1a\n - -3..\n * - 148\n - R-3\n - 18f\n - 1\n * - 148\n - R-3\n - 9e\n - -1\n * - 148\n - R-3\n - 9d\n - -1\n * - 148\n - R-3\n - 6c\n - 3.\\\n * - 148\n - R-3\n - 3b\n - -3.\n * - 148\n - R-3\n - 3a\n - -3.\n * - 149\n - P312\n - 6l\n - 1\n * - 149\n - P312\n - 3k\n - ..2\n * - 149\n - P312\n - 3j\n - ..2\n * - 149\n - P312\n - 2i\n - 3..\n * - 149\n - P312\n - 2h\n - 3..\n * - 149\n - P312\n - 2g\n - 3..\n * - 149\n - P312\n - 1f\n - 3.2\n * - 149\n - P312\n - 1e\n - 3.2\n * - 149\n - P312\n - 1d\n - 3.2\n * - 149\n - P312\n - 1c\n - 3.2\n * - 149\n - P312\n - 1b\n - 3.2\n * - 149\n - P312\n - 1a\n - 3.2\n * - 150\n - P321\n - 6g\n - 1\n * - 150\n - P321\n - 3f\n - .2.\n * - 150\n - P321\n - 3e\n - .2.\n * - 150\n - P321\n - 2d\n - 3..\n * - 150\n - P321\n - 2c\n - 3..\n * - 150\n - P321\n - 1b\n - 32.\\\n * - 150\n - P321\n - 1a\n - 32.\\\n * - 151\n - P3112\n - 6c\n - 1\n * - 151\n - P3112\n - 3b\n - ..2\n * - 151\n - P3112\n - 3a\n - ..2\n * - 152\n - P3121\n - 6c\n - 1\n * - 152\n - P3121\n - 3b\n - .2.\n * - 152\n - P3121\n - 3a\n - .2.\n * - 153\n - P3212\n - 6c\n - 1\n * - 153\n - P3212\n - 3b\n - ..2\n * - 153\n - P3212\n - 3a\n - ..2\n * - 154\n - P3221\n - 6c\n - 1\n * - 154\n - P3221\n - 3b\n - .2.\n * - 154\n - P3221\n - 3a\n - .2.\n * - 155\n - R32\n - 18f\n - 1\n * - 155\n - R32\n - 9e\n - .2\n * - 155\n - R32\n - 9d\n - .2\n * - 155\n - R32\n - 6c\n - 3.\\\n * - 155\n - R32\n - 3b\n - 32\n * - 155\n - R32\n - 3a\n - 32\n * - 156\n - P3m1\n - 6e\n - 1\n * - 156\n - P3m1\n - 3d\n - .m.\n * - 156\n - P3m1\n - 1c\n - 3m.\n * - 156\n - P3m1\n - 1b\n - 3m.\n * - 156\n - P3m1\n - 1a\n - 3m.\n * - 157\n - P31m\n - 6d\n - 1\n * - 157\n - P31m\n - 3c\n - ..m\n * - 157\n - P31m\n - 2b\n - 3..\n * - 157\n - P31m\n - 1a\n - 3.m\n * - 158\n - P3c1\n - 6d\n - 1\n * - 158\n - P3c1\n - 2c\n - 3..\n * - 158\n - P3c1\n - 2b\n - 3..\n * - 158\n - P3c1\n - 2a\n - 3..\n * - 159\n - P31c\n - 6c\n - 1\n * - 159\n - P31c\n - 2b\n - 3..\n * - 159\n - P31c\n - 2a\n - 3..\n * - 160\n - R3m\n - 18c\n - 1\n * - 160\n - R3m\n - 9b\n - .m\n * - 160\n - R3m\n - 3a\n - 3m\n * - 161\n - R3c\n - 18b\n - 1\n * - 161\n - R3c\n - 6a\n - 3.\\\n * - 162\n - P-31m\n - 12l\n - 1\n * - 162\n - P-31m\n - 6k\n - ..m\n * - 162\n - P-31m\n - 6j\n - ..2\n * - 162\n - P-31m\n - 6i\n - ..2\n * - 162\n - P-31m\n - 4h\n - 3..\n * - 162\n - P-31m\n - 3g\n - ..2/m\n * - 162\n - P-31m\n - 3f\n - ..2/m\n * - 162\n - P-31m\n - 2e\n - 3.m\n * - 162\n - P-31m\n - 2d\n - 3.2\n * - 162\n - P-31m\n - 2c\n - 3.2\n * - 162\n - P-31m\n - 1b\n - -3.m\n * - 162\n - P-31m\n - 1a\n - -3.m\n * - 163\n - P-31c\n - 12i\n - 1\n * - 163\n - P-31c\n - 6h\n - ..2\n * - 163\n - P-31c\n - 6g\n - -1\n * - 163\n - P-31c\n - 4f\n - 3..\n * - 163\n - P-31c\n - 4e\n - 3..\n * - 163\n - P-31c\n - 2d\n - 3.2\n * - 163\n - P-31c\n - 2c\n - 3.2\n * - 163\n - P-31c\n - 2b\n - -3..\n * - 163\n - P-31c\n - 2a\n - 3.2\n * - 164\n - P-3m1\n - 12j\n - 1\n * - 164\n - P-3m1\n - 6i\n - .m.\n * - 164\n - P-3m1\n - 6h\n - .2.\n * - 164\n - P-3m1\n - 6g\n - .2.\n * - 164\n - P-3m1\n - 3f\n - .2/m.\n * - 164\n - P-3m1\n - 3e\n - .2/m.\n * - 164\n - P-3m1\n - 2d\n - 3m.\n * - 164\n - P-3m1\n - 2c\n - 3m.\n * - 164\n - P-3m1\n - 1b\n - -3m.\n * - 164\n - P-3m1\n - 1a\n - -3m.\n * - 165\n - P-3c1\n - 12g\n - 1\n * - 165\n - P-3c1\n - 6f\n - .2.\n * - 165\n - P-3c1\n - 6e\n - -1\n * - 165\n - P-3c1\n - 4d\n - 3..\n * - 165\n - P-3c1\n - 4c\n - 3..\n * - 165\n - P-3c1\n - 2b\n - -3..\n * - 165\n - P-3c1\n - 2a\n - 32.\\\n * - 166\n - R-3m\n - 36i\n - 1\n * - 166\n - R-3m\n - 18h\n - .m\n * - 166\n - R-3m\n - 18g\n - .2\n * - 166\n - R-3m\n - 18f\n - .2\n * - 166\n - R-3m\n - 9e\n - .2/m\n * - 166\n - R-3m\n - 9d\n - .2/m\n * - 166\n - R-3m\n - 6c\n - 3m\n * - 166\n - R-3m\n - 3b\n - -3m\n * - 166\n - R-3m\n - 3a\n - -3m\n * - 167\n - R-3c\n - 36f\n - 1\n * - 167\n - R-3c\n - 18e\n - .2\n * - 167\n - R-3c\n - 18d\n - -1\n * - 167\n - R-3c\n - 12c\n - 3.\\\n * - 167\n - R-3c\n - 6b\n - -3.\n * - 167\n - R-3c\n - 6a\n - 32\n * - 168\n - P6\n - 6d\n - 1\n * - 168\n - P6\n - 3c\n - 2..\n * - 168\n - P6\n - 2b\n - 3..\n * - 168\n - P6\n - 1a\n - 6..\n * - 169\n - P61\n - 6a\n - 1\n * - 170\n - P65\n - 6a\n - 1\n * - 171\n - P62\n - 6c\n - 1\n * - 171\n - P62\n - 3b\n - 2..\n * - 171\n - P62\n - 3a\n - 2..\n * - 172\n - P64\n - 6c\n - 1\n * - 172\n - P64\n - 3b\n - 2..\n * - 172\n - P64\n - 3a\n - 2..\n * - 173\n - P63\n - 6c\n - 1\n * - 173\n - P63\n - 2b\n - 3..\n * - 173\n - P63\n - 2a\n - 3..\n * - 174\n - P-6\n - 6l\n - 1\n * - 174\n - P-6\n - 3k\n - m..\n * - 174\n - P-6\n - 3j\n - m..\n * - 174\n - P-6\n - 2i\n - 3..\n * - 174\n - P-6\n - 2h\n - 3..\n * - 174\n - P-6\n - 2g\n - 3..\n * - 174\n - P-6\n - 1f\n - -6..\n * - 174\n - P-6\n - 1e\n - -6..\n * - 174\n - P-6\n - 1d\n - -6..\n * - 174\n - P-6\n - 1c\n - -6..\n * - 174\n - P-6\n - 1b\n - -6..\n * - 174\n - P-6\n - 1a\n - -6..\n * - 175\n - P6/m\n - 12l\n - 1\n * - 175\n - P6/m\n - 6k\n - m..\n * - 175\n - P6/m\n - 6j\n - m..\n * - 175\n - P6/m\n - 6i\n - 2..\n * - 175\n - P6/m\n - 4h\n - 3..\n * - 175\n - P6/m\n - 3g\n - 2/m..\n * - 175\n - P6/m\n - 3f\n - 2/m..\n * - 175\n - P6/m\n - 2e\n - 6..\n * - 175\n - P6/m\n - 2d\n - -6..\n * - 175\n - P6/m\n - 2c\n - -6..\n * - 175\n - P6/m\n - 1b\n - 6/m..\n * - 175\n - P6/m\n - 1a\n - 6/m..\n * - 176\n - P63/m\n - 12i\n - 1\n * - 176\n - P63/m\n - 6h\n - m..\n * - 176\n - P63/m\n - 6g\n - -1\n * - 176\n - P63/m\n - 4f\n - 3..\n * - 176\n - P63/m\n - 4e\n - 3..\n * - 176\n - P63/m\n - 2d\n - -6..\n * - 176\n - P63/m\n - 2c\n - -6..\n * - 176\n - P63/m\n - 2b\n - -3..\n * - 176\n - P63/m\n - 2a\n - -6..\n * - 177\n - P622\n - 12n\n - 1\n * - 177\n - P622\n - 6m\n - ..2\n * - 177\n - P622\n - 6l\n - ..2\n * - 177\n - P622\n - 6k\n - .2.\n * - 177\n - P622\n - 6j\n - .2.\n * - 177\n - P622\n - 6i\n - 2..\n * - 177\n - P622\n - 4h\n - 3..\n * - 177\n - P622\n - 3g\n - 222\n * - 177\n - P622\n - 3f\n - 222\n * - 177\n - P622\n - 2e\n - 6..\n * - 177\n - P622\n - 2d\n - 3.2\n * - 177\n - P622\n - 2c\n - 3.2\n * - 177\n - P622\n - 1b\n - 622\n * - 177\n - P622\n - 1a\n - 622\n * - 178\n - P6122\n - 12c\n - 1\n * - 178\n - P6122\n - 6b\n - ..2\n * - 178\n - P6122\n - 6a\n - .2.\n * - 179\n - P6522\n - 12c\n - 1\n * - 179\n - P6522\n - 6b\n - ..2\n * - 179\n - P6522\n - 6a\n - .2.\n * - 180\n - P6222\n - 12k\n - 1\n * - 180\n - P6222\n - 6j\n - ..2\n * - 180\n - P6222\n - 6i\n - ..2\n * - 180\n - P6222\n - 6h\n - .2.\n * - 180\n - P6222\n - 6g\n - .2.\n * - 180\n - P6222\n - 6f\n - 2..\n * - 180\n - P6222\n - 6e\n - 2..\n * - 180\n - P6222\n - 3d\n - 222\n * - 180\n - P6222\n - 3c\n - 222\n * - 180\n - P6222\n - 3b\n - 222\n * - 180\n - P6222\n - 3a\n - 222\n * - 181\n - P6422\n - 12k\n - 1\n * - 181\n - P6422\n - 6j\n - ..2\n * - 181\n - P6422\n - 6i\n - ..2\n * - 181\n - P6422\n - 6h\n - .2.\n * - 181\n - P6422\n - 6g\n - .2.\n * - 181\n - P6422\n - 6f\n - 2..\n * - 181\n - P6422\n - 6e\n - 2..\n * - 181\n - P6422\n - 3d\n - 222\n * - 181\n - P6422\n - 3c\n - 222\n * - 181\n - P6422\n - 3b\n - 222\n * - 181\n - P6422\n - 3a\n - 222\n * - 182\n - P6322\n - 12i\n - 1\n * - 182\n - P6322\n - 6h\n - ..2\n * - 182\n - P6322\n - 6g\n - .2.\n * - 182\n - P6322\n - 4f\n - 3..\n * - 182\n - P6322\n - 4e\n - 3..\n * - 182\n - P6322\n - 2d\n - 3.2\n * - 182\n - P6322\n - 2c\n - 3.2\n * - 182\n - P6322\n - 2b\n - 3.2\n * - 182\n - P6322\n - 2a\n - 32.\\\n * - 183\n - P6mm\n - 12f\n - 1\n * - 183\n - P6mm\n - 6e\n - .m.\n * - 183\n - P6mm\n - 6d\n - ..m\n * - 183\n - P6mm\n - 3c\n - 2mm\n * - 183\n - P6mm\n - 2b\n - 3m.\n * - 183\n - P6mm\n - 1a\n - 6mm\n * - 184\n - P6cc\n - 12d\n - 1\n * - 184\n - P6cc\n - 6c\n - 2..\n * - 184\n - P6cc\n - 4b\n - 3..\n * - 184\n - P6cc\n - 2a\n - 6..\n * - 185\n - P63cm\n - 12d\n - 1\n * - 185\n - P63cm\n - 6c\n - ..m\n * - 185\n - P63cm\n - 4b\n - 3..\n * - 185\n - P63cm\n - 2a\n - 3.m\n * - 186\n - P63mc\n - 12d\n - 1\n * - 186\n - P63mc\n - 6c\n - .m.\n * - 186\n - P63mc\n - 2b\n - 3m.\n * - 186\n - P63mc\n - 2a\n - 3m.\n * - 187\n - P-6m2\n - 12o\n - 1\n * - 187\n - P-6m2\n - 6n\n - .m.\n * - 187\n - P-6m2\n - 6m\n - m..\n * - 187\n - P-6m2\n - 6l\n - m..\n * - 187\n - P-6m2\n - 3k\n - mm2\n * - 187\n - P-6m2\n - 3j\n - mm2\n * - 187\n - P-6m2\n - 2i\n - 3m.\n * - 187\n - P-6m2\n - 2h\n - 3m.\n * - 187\n - P-6m2\n - 2g\n - 3m.\n * - 187\n - P-6m2\n - 1f\n - -6m2\n * - 187\n - P-6m2\n - 1e\n - -6m2\n * - 187\n - P-6m2\n - 1d\n - -6m2\n * - 187\n - P-6m2\n - 1c\n - -6m2\n * - 187\n - P-6m2\n - 1b\n - -6m2\n * - 187\n - P-6m2\n - 1a\n - -6m2\n * - 188\n - P-6c2\n - 12l\n - 1\n * - 188\n - P-6c2\n - 6k\n - m..\n * - 188\n - P-6c2\n - 6j\n - ..2\n * - 188\n - P-6c2\n - 4i\n - 3..\n * - 188\n - P-6c2\n - 4h\n - 3..\n * - 188\n - P-6c2\n - 4g\n - 3..\n * - 188\n - P-6c2\n - 2f\n - -6..\n * - 188\n - P-6c2\n - 2e\n - 3.2\n * - 188\n - P-6c2\n - 2d\n - -6..\n * - 188\n - P-6c2\n - 2c\n - 3.2\n * - 188\n - P-6c2\n - 2b\n - -6..\n * - 188\n - P-6c2\n - 2a\n - 3.2\n * - 189\n - P-62m\n - 12l\n - 1\n * - 189\n - P-62m\n - 6k\n - m..\n * - 189\n - P-62m\n - 6j\n - m..\n * - 189\n - P-62m\n - 6i\n - ..m\n * - 189\n - P-62m\n - 4h\n - 3..\n * - 189\n - P-62m\n - 3g\n - m2m\n * - 189\n - P-62m\n - 3f\n - m2m\n * - 189\n - P-62m\n - 2e\n - 3.m\n * - 189\n - P-62m\n - 2d\n - -6..\n * - 189\n - P-62m\n - 2c\n - -6..\n * - 189\n - P-62m\n - 1b\n - -62m\n * - 189\n - P-62m\n - 1a\n - -62m\n * - 190\n - P-62c\n - 12i\n - 1\n * - 190\n - P-62c\n - 6h\n - m..\n * - 190\n - P-62c\n - 6g\n - .2.\n * - 190\n - P-62c\n - 4f\n - 3..\n * - 190\n - P-62c\n - 4e\n - 3..\n * - 190\n - P-62c\n - 2d\n - -6..\n * - 190\n - P-62c\n - 2c\n - -6..\n * - 190\n - P-62c\n - 2b\n - -6..\n * - 190\n - P-62c\n - 2a\n - 32.\\\n * - 191\n - P6/mmm\n - 24r\n - 1\n * - 191\n - P6/mmm\n - 12q\n - m..\n * - 191\n - P6/mmm\n - 12p\n - m..\n * - 191\n - P6/mmm\n - 12o\n - .m.\n * - 191\n - P6/mmm\n - 12n\n - ..m\n * - 191\n - P6/mmm\n - 6m\n - mm2\n * - 191\n - P6/mmm\n - 6l\n - mm2\n * - 191\n - P6/mmm\n - 6k\n - m2m\n * - 191\n - P6/mmm\n - 6j\n - m2m\n * - 191\n - P6/mmm\n - 6i\n - 2mm\n * - 191\n - P6/mmm\n - 4h\n - 3m.\n * - 191\n - P6/mmm\n - 3g\n - mmm\n * - 191\n - P6/mmm\n - 3f\n - mmm\n * - 191\n - P6/mmm\n - 2e\n - 6mm\n * - 191\n - P6/mmm\n - 2d\n - -6m2\n * - 191\n - P6/mmm\n - 2c\n - -6m2\n * - 191\n - P6/mmm\n - 1b\n - 6/mmm\n * - 191\n - P6/mmm\n - 1a\n - 6/mmm\n * - 192\n - P6/mcc\n - 24m\n - 1\n * - 192\n - P6/mcc\n - 12l\n - m..\n * - 192\n - P6/mcc\n - 12k\n - ..2\n * - 192\n - P6/mcc\n - 12j\n - .2.\n * - 192\n - P6/mcc\n - 12i\n - 2..\n * - 192\n - P6/mcc\n - 8h\n - 3..\n * - 192\n - P6/mcc\n - 6g\n - 2/m..\n * - 192\n - P6/mcc\n - 6f\n - 222\n * - 192\n - P6/mcc\n - 4e\n - 6..\n * - 192\n - P6/mcc\n - 4d\n - -6..\n * - 192\n - P6/mcc\n - 4c\n - 3.2\n * - 192\n - P6/mcc\n - 2b\n - 6/m..\n * - 192\n - P6/mcc\n - 2a\n - 622\n * - 193\n - P63/mcm\n - 24l\n - 1\n * - 193\n - P63/mcm\n - 12k\n - ..m\n * - 193\n - P63/mcm\n - 12j\n - m..\n * - 193\n - P63/mcm\n - 12i\n - ..2\n * - 193\n - P63/mcm\n - 8h\n - 3..\n * - 193\n - P63/mcm\n - 6g\n - m2m\n * - 193\n - P63/mcm\n - 6f\n - ..2/m\n * - 193\n - P63/mcm\n - 4e\n - 3.m\n * - 193\n - P63/mcm\n - 4d\n - 3.2\n * - 193\n - P63/mcm\n - 4c\n - -6..\n * - 193\n - P63/mcm\n - 2b\n - -3.m\n * - 193\n - P63/mcm\n - 2a\n - -62m\n * - 194\n - P63/mmc\n - 24l\n - 1\n * - 194\n - P63/mmc\n - 12k\n - .m.\n * - 194\n - P63/mmc\n - 12j\n - m..\n * - 194\n - P63/mmc\n - 12i\n - .2.\n * - 194\n - P63/mmc\n - 6h\n - mm2\n * - 194\n - P63/mmc\n - 6g\n - .2/m.\n * - 194\n - P63/mmc\n - 4f\n - 3m.\n * - 194\n - P63/mmc\n - 4e\n - 3m.\n * - 194\n - P63/mmc\n - 2d\n - -6m2\n * - 194\n - P63/mmc\n - 2c\n - -6m2\n * - 194\n - P63/mmc\n - 2b\n - -6m2\n * - 194\n - P63/mmc\n - 2a\n - -3m.\n * - 195\n - P23\n - 12j\n - 1\n * - 195\n - P23\n - 6i\n - 2..\n * - 195\n - P23\n - 6h\n - 2..\n * - 195\n - P23\n - 6g\n - 2..\n * - 195\n - P23\n - 6f\n - 2..\n * - 195\n - P23\n - 4e\n - .3.\n * - 195\n - P23\n - 3d\n - 222..\n * - 195\n - P23\n - 3c\n - 222..\n * - 195\n - P23\n - 1b\n - 23.\\\n * - 195\n - P23\n - 1a\n - 23.\\\n * - 196\n - F23\n - 48h\n - 1\n * - 196\n - F23\n - 24g\n - 2..\n * - 196\n - F23\n - 24f\n - 2..\n * - 196\n - F23\n - 16e\n - .3.\n * - 196\n - F23\n - 4d\n - 23.\\\n * - 196\n - F23\n - 4c\n - 23.\\\n * - 196\n - F23\n - 4b\n - 23.\\\n * - 196\n - F23\n - 4a\n - 23.\\\n * - 197\n - I23\n - 24f\n - 1\n * - 197\n - I23\n - 12e\n - 2..\n * - 197\n - I23\n - 12d\n - 2..\n * - 197\n - I23\n - 8c\n - .3.\n * - 197\n - I23\n - 6b\n - 222..\n * - 197\n - I23\n - 2a\n - 23.\\\n * - 198\n - P213\n - 12b\n - 1\n * - 198\n - P213\n - 4a\n - .3.\n * - 199\n - I213\n - 24c\n - 1\n * - 199\n - I213\n - 12b\n - 2..\n * - 199\n - I213\n - 8a\n - .3.\n * - 200\n - Pm-3\n - 24l\n - 1\n * - 200\n - Pm-3\n - 12k\n - m..\n * - 200\n - Pm-3\n - 12j\n - m..\n * - 200\n - Pm-3\n - 8i\n - .3.\n * - 200\n - Pm-3\n - 6h\n - mm2..\n * - 200\n - Pm-3\n - 6g\n - mm2..\n * - 200\n - Pm-3\n - 6f\n - mm2..\n * - 200\n - Pm-3\n - 6e\n - mm2..\n * - 200\n - Pm-3\n - 3d\n - mmm..\n * - 200\n - Pm-3\n - 3c\n - mmm..\n * - 200\n - Pm-3\n - 1b\n - m-3.\n * - 200\n - Pm-3\n - 1a\n - m-3.\n * - 201\n - Pn-3\n - 24h\n - 1\n * - 201\n - Pn-3\n - 12g\n - 2..\n * - 201\n - Pn-3\n - 12f\n - 2..\n * - 201\n - Pn-3\n - 8e\n - .3.\n * - 201\n - Pn-3\n - 6d\n - 222..\n * - 201\n - Pn-3\n - 4c\n - .-3.\n * - 201\n - Pn-3\n - 4b\n - .-3.\n * - 201\n - Pn-3\n - 2a\n - 23.\\\n * - 202\n - Fm-3\n - 96i\n - 1\n * - 202\n - Fm-3\n - 48h\n - m..\n * - 202\n - Fm-3\n - 48g\n - 2..\n * - 202\n - Fm-3\n - 32f\n - .3.\n * - 202\n - Fm-3\n - 24e\n - mm2..\n * - 202\n - Fm-3\n - 24d\n - 2/m..\n * - 202\n - Fm-3\n - 8c\n - 23.\\\n * - 202\n - Fm-3\n - 4b\n - m-3.\n * - 202\n - Fm-3\n - 4a\n - m-3.\n * - 203\n - Fd-3\n - 96g\n - 1\n * - 203\n - Fd-3\n - 48f\n - 2..\n * - 203\n - Fd-3\n - 32e\n - .3.\n * - 203\n - Fd-3\n - 16d\n - .-3.\n * - 203\n - Fd-3\n - 16c\n - .-3.\n * - 203\n - Fd-3\n - 8b\n - 23.\\\n * - 203\n - Fd-3\n - 8a\n - 23.\\\n * - 204\n - Im-3\n - 48h\n - 1\n * - 204\n - Im-3\n - 24g\n - m..\n * - 204\n - Im-3\n - 16f\n - .3.\n * - 204\n - Im-3\n - 12e\n - mm2..\n * - 204\n - Im-3\n - 12d\n - mm2..\n * - 204\n - Im-3\n - 8c\n - .-3.\n * - 204\n - Im-3\n - 6b\n - mmm..\n * - 204\n - Im-3\n - 2a\n - m-3.\n * - 205\n - Pa-3\n - 24d\n - 1\n * - 205\n - Pa-3\n - 8c\n - .3.\n * - 205\n - Pa-3\n - 4b\n - .-3.\n * - 205\n - Pa-3\n - 4a\n - .-3.\n * - 206\n - Ia-3\n - 48e\n - 1\n * - 206\n - Ia-3\n - 24d\n - 2..\n * - 206\n - Ia-3\n - 16c\n - .3.\n * - 206\n - Ia-3\n - 8b\n - .-3.\n * - 206\n - Ia-3\n - 8a\n - .-3.\n * - 207\n - P432\n - 24k\n - 1\n * - 207\n - P432\n - 12j\n - ..2\n * - 207\n - P432\n - 12i\n - ..2\n * - 207\n - P432\n - 12h\n - 2..\n * - 207\n - P432\n - 8g\n - .3.\n * - 207\n - P432\n - 6f\n - 4..\n * - 207\n - P432\n - 6e\n - 4..\n * - 207\n - P432\n - 3d\n - 42.2\n * - 207\n - P432\n - 3c\n - 42.2\n * - 207\n - P432\n - 1b\n - 432\n * - 207\n - P432\n - 1a\n - 432\n * - 208\n - P4232\n - 24m\n - 1\n * - 208\n - P4232\n - 12l\n - ..2\n * - 208\n - P4232\n - 12k\n - ..2\n * - 208\n - P4232\n - 12j\n - 2..\n * - 208\n - P4232\n - 12i\n - 2..\n * - 208\n - P4232\n - 12h\n - 2..\n * - 208\n - P4232\n - 8g\n - .3.\n * - 208\n - P4232\n - 6f\n - 2.22\n * - 208\n - P4232\n - 6e\n - 2.22\n * - 208\n - P4232\n - 6d\n - 222..\n * - 208\n - P4232\n - 4c\n - .32\n * - 208\n - P4232\n - 4b\n - .32\n * - 208\n - P4232\n - 2a\n - 23.\\\n * - 209\n - F432\n - 96j\n - 1\n * - 209\n - F432\n - 48i\n - 2..\n * - 209\n - F432\n - 48h\n - ..2\n * - 209\n - F432\n - 48g\n - ..2\n * - 209\n - F432\n - 32f\n - .3.\n * - 209\n - F432\n - 24e\n - 4..\n * - 209\n - F432\n - 24d\n - 2.22\n * - 209\n - F432\n - 8c\n - 23.\\\n * - 209\n - F432\n - 4b\n - 432\n * - 209\n - F432\n - 4a\n - 432\n * - 210\n - F4132\n - 96h\n - 1\n * - 210\n - F4132\n - 48g\n - ..2\n * - 210\n - F4132\n - 48f\n - 2..\n * - 210\n - F4132\n - 32e\n - .3.\n * - 210\n - F4132\n - 16d\n - .32\n * - 210\n - F4132\n - 16c\n - .32\n * - 210\n - F4132\n - 8b\n - 23.\\\n * - 210\n - F4132\n - 8a\n - 23.\\\n * - 211\n - I432\n - 48j\n - 1\n * - 211\n - I432\n - 24i\n - ..2\n * - 211\n - I432\n - 24h\n - ..2\n * - 211\n - I432\n - 24g\n - 2..\n * - 211\n - I432\n - 16f\n - .3.\n * - 211\n - I432\n - 12e\n - 4..\n * - 211\n - I432\n - 12d\n - 2.22\n * - 211\n - I432\n - 8c\n - .32\n * - 211\n - I432\n - 6b\n - 42.2\n * - 211\n - I432\n - 2a\n - 432\n * - 212\n - P4332\n - 24e\n - 1\n * - 212\n - P4332\n - 12d\n - ..2\n * - 212\n - P4332\n - 8c\n - .3.\n * - 212\n - P4332\n - 4b\n - .32\n * - 212\n - P4332\n - 4a\n - .32\n * - 213\n - P4132\n - 24e\n - 1\n * - 213\n - P4132\n - 12d\n - ..2\n * - 213\n - P4132\n - 8c\n - .3.\n * - 213\n - P4132\n - 4b\n - .32\n * - 213\n - P4132\n - 4a\n - .32\n * - 214\n - I4132\n - 48i\n - 1\n * - 214\n - I4132\n - 24h\n - ..2\n * - 214\n - I4132\n - 24g\n - ..2\n * - 214\n - I4132\n - 24f\n - 2..\n * - 214\n - I4132\n - 16e\n - .3.\n * - 214\n - I4132\n - 12d\n - 2.22\n * - 214\n - I4132\n - 12c\n - 2.22\n * - 214\n - I4132\n - 8b\n - .32\n * - 214\n - I4132\n - 8a\n - .32\n * - 215\n - P-43m\n - 24j\n - 1\n * - 215\n - P-43m\n - 12i\n - ..m\n * - 215\n - P-43m\n - 12h\n - 2..\n * - 215\n - P-43m\n - 6g\n - 2.mm\n * - 215\n - P-43m\n - 6f\n - 2.mm\n * - 215\n - P-43m\n - 4e\n - .3m\n * - 215\n - P-43m\n - 3d\n - -42.m\n * - 215\n - P-43m\n - 3c\n - -42.m\n * - 215\n - P-43m\n - 1b\n - -43m\n * - 215\n - P-43m\n - 1a\n - -43m\n * - 216\n - F-43m\n - 96i\n - 1\n * - 216\n - F-43m\n - 48h\n - ..m\n * - 216\n - F-43m\n - 24g\n - 2.mm\n * - 216\n - F-43m\n - 24f\n - 2.mm\n * - 216\n - F-43m\n - 16e\n - .3m\n * - 216\n - F-43m\n - 4d\n - -43m\n * - 216\n - F-43m\n - 4c\n - -43m\n * - 216\n - F-43m\n - 4b\n - -43m\n * - 216\n - F-43m\n - 4a\n - -43m\n * - 217\n - I-43m\n - 48h\n - 1\n * - 217\n - I-43m\n - 24g\n - ..m\n * - 217\n - I-43m\n - 24f\n - 2..\n * - 217\n - I-43m\n - 12e\n - 2.mm\n * - 217\n - I-43m\n - 12d\n - -4..\n * - 217\n - I-43m\n - 8c\n - .3m\n * - 217\n - I-43m\n - 6b\n - -42.m\n * - 217\n - I-43m\n - 2a\n - -43m\n * - 218\n - P-43n\n - 24i\n - 1\n * - 218\n - P-43n\n - 12h\n - 2..\n * - 218\n - P-43n\n - 12g\n - 2..\n * - 218\n - P-43n\n - 12f\n - 2..\n * - 218\n - P-43n\n - 8e\n - .3.\n * - 218\n - P-43n\n - 6d\n - -4..\n * - 218\n - P-43n\n - 6c\n - -4..\n * - 218\n - P-43n\n - 6b\n - 222..\n * - 218\n - P-43n\n - 2a\n - 23.\\\n * - 219\n - F-43c\n - 96h\n - 1\n * - 219\n - F-43c\n - 48g\n - 2..\n * - 219\n - F-43c\n - 48f\n - 2..\n * - 219\n - F-43c\n - 32e\n - .3.\n * - 219\n - F-43c\n - 24d\n - -4..\n * - 219\n - F-43c\n - 24c\n - -4..\n * - 219\n - F-43c\n - 8b\n - 23.\\\n * - 219\n - F-43c\n - 8a\n - 23.\\\n * - 220\n - I-43d\n - 48e\n - 1\n * - 220\n - I-43d\n - 24d\n - 2..\n * - 220\n - I-43d\n - 16c\n - .3.\n * - 220\n - I-43d\n - 12b\n - -4..\n * - 220\n - I-43d\n - 12a\n - -4..\n * - 221\n - Pm-3m\n - 48n\n - 1\n * - 221\n - Pm-3m\n - 24m\n - ..m\n * - 221\n - Pm-3m\n - 24l\n - m..\n * - 221\n - Pm-3m\n - 24k\n - m..\n * - 221\n - Pm-3m\n - 12j\n - m.m2\n * - 221\n - Pm-3m\n - 12i\n - m.m2\n * - 221\n - Pm-3m\n - 12h\n - mm2..\n * - 221\n - Pm-3m\n - 8g\n - .3m\n * - 221\n - Pm-3m\n - 6f\n - 4m.m\n * - 221\n - Pm-3m\n - 6e\n - 4m.m\n * - 221\n - Pm-3m\n - 3d\n - 4/mm.m\n * - 221\n - Pm-3m\n - 3c\n - 4/mm.m\n * - 221\n - Pm-3m\n - 1b\n - m-3m\n * - 221\n - Pm-3m\n - 1a\n - m-3m\n * - 222\n - Pn-3n\n - 48i\n - 1\n * - 222\n - Pn-3n\n - 24h\n - ..2\n * - 222\n - Pn-3n\n - 24g\n - 2..\n * - 222\n - Pn-3n\n - 16f\n - .3.\n * - 222\n - Pn-3n\n - 12e\n - 4..\n * - 222\n - Pn-3n\n - 12d\n - -4..\n * - 222\n - Pn-3n\n - 8c\n - .-3.\n * - 222\n - Pn-3n\n - 6b\n - 42.2\n * - 222\n - Pn-3n\n - 2a\n - 432\n * - 223\n - Pm-3n\n - 48l\n - 1\n * - 223\n - Pm-3n\n - 24k\n - m..\n * - 223\n - Pm-3n\n - 24j\n - ..2\n * - 223\n - Pm-3n\n - 16i\n - .3.\n * - 223\n - Pm-3n\n - 12h\n - mm2..\n * - 223\n - Pm-3n\n - 12g\n - mm2..\n * - 223\n - Pm-3n\n - 12f\n - mm2..\n * - 223\n - Pm-3n\n - 8e\n - .32\n * - 223\n - Pm-3n\n - 6d\n - -4m.2\n * - 223\n - Pm-3n\n - 6c\n - -4m.2\n * - 223\n - Pm-3n\n - 6b\n - mmm..\n * - 223\n - Pm-3n\n - 2a\n - m-3.\n * - 224\n - Pn-3m\n - 48l\n - 1\n * - 224\n - Pn-3m\n - 24k\n - ..m\n * - 224\n - Pn-3m\n - 24j\n - ..2\n * - 224\n - Pn-3m\n - 24i\n - ..2\n * - 224\n - Pn-3m\n - 24h\n - 2..\n * - 224\n - Pn-3m\n - 12g\n - 2.mm\n * - 224\n - Pn-3m\n - 12f\n - 2.22\n * - 224\n - Pn-3m\n - 8e\n - .3m\n * - 224\n - Pn-3m\n - 6d\n - -42.m\n * - 224\n - Pn-3m\n - 4c\n - .-3m\n * - 224\n - Pn-3m\n - 4b\n - .-3m\n * - 224\n - Pn-3m\n - 2a\n - -43m\n * - 225\n - Fm-3m\n - 192l\n - 1\n * - 225\n - Fm-3m\n - 96k\n - ..m\n * - 225\n - Fm-3m\n - 96j\n - m..\n * - 225\n - Fm-3m\n - 48i\n - m.m2\n * - 225\n - Fm-3m\n - 48h\n - m.m2\n * - 225\n - Fm-3m\n - 48g\n - 2.mm\n * - 225\n - Fm-3m\n - 32f\n - .3m\n * - 225\n - Fm-3m\n - 24e\n - 4m.m\n * - 225\n - Fm-3m\n - 24d\n - m.mm\n * - 225\n - Fm-3m\n - 8c\n - -43m\n * - 225\n - Fm-3m\n - 4b\n - m-3m\n * - 225\n - Fm-3m\n - 4a\n - m-3m\n * - 226\n - Fm-3c\n - 192j\n - 1\n * - 226\n - Fm-3c\n - 96i\n - m..\n * - 226\n - Fm-3c\n - 96h\n - ..2\n * - 226\n - Fm-3c\n - 64g\n - .3.\n * - 226\n - Fm-3c\n - 48f\n - 4..\n * - 226\n - Fm-3c\n - 48e\n - mm2..\n * - 226\n - Fm-3c\n - 24d\n - 4/m..\n * - 226\n - Fm-3c\n - 24c\n - -4m.2\n * - 226\n - Fm-3c\n - 8b\n - m-3.\n * - 226\n - Fm-3c\n - 8a\n - 432\n * - 227\n - Fd-3m\n - 192i\n - 1\n * - 227\n - Fd-3m\n - 96h\n - ..2\n * - 227\n - Fd-3m\n - 96g\n - ..m\n * - 227\n - Fd-3m\n - 48f\n - 2.mm\n * - 227\n - Fd-3m\n - 32e\n - .3m\n * - 227\n - Fd-3m\n - 16d\n - .-3m\n * - 227\n - Fd-3m\n - 16c\n - .-3m\n * - 227\n - Fd-3m\n - 8b\n - -43m\n * - 227\n - Fd-3m\n - 8a\n - -43m\n * - 228\n - Fd-3c\n - 192h\n - 1\n * - 228\n - Fd-3c\n - 96g\n - ..2\n * - 228\n - Fd-3c\n - 96f\n - 2..\n * - 228\n - Fd-3c\n - 64e\n - .3.\n * - 228\n - Fd-3c\n - 48d\n - -4..\n * - 228\n - Fd-3c\n - 32c\n - .-3.\n * - 228\n - Fd-3c\n - 32b\n - .32\n * - 228\n - Fd-3c\n - 16a\n - 23.\\\n * - 229\n - Im-3m\n - 96l\n - 1\n * - 229\n - Im-3m\n - 48k\n - ..m\n * - 229\n - Im-3m\n - 48j\n - m..\n * - 229\n - Im-3m\n - 48i\n - ..2\n * - 229\n - Im-3m\n - 24h\n - m.m2\n * - 229\n - Im-3m\n - 24g\n - mm2..\n * - 229\n - Im-3m\n - 16f\n - .3m\n * - 229\n - Im-3m\n - 12e\n - 4m.m\n * - 229\n - Im-3m\n - 12d\n - -4m.2\n * - 229\n - Im-3m\n - 8c\n - .-3m\n * - 229\n - Im-3m\n - 6b\n - 4/mm.m\n * - 229\n - Im-3m\n - 2a\n - m-3m\n * - 230\n - Ia-3d\n - 96h\n - 1\n * - 230\n - Ia-3d\n - 48g\n - ..2\n * - 230\n - Ia-3d\n - 48f\n - 2..\n * - 230\n - Ia-3d\n - 32e\n - .3.\n * - 230\n - Ia-3d\n - 24d\n - -4..\n * - 230\n - Ia-3d\n - 24c\n - 2.22\n * - 230\n - Ia-3d\n - 16b\n - .32\n * - 230\n - Ia-3d\n - 16a\n - .-3.\n\nReferences\n----------\n\nFor the use of this function, please cite the following paper.\n\n::\n\n @inproceedings{levy2024symmcd,\n title={Symm{CD}: Symmetry-Preserving Crystal Generation with Diffusion Models},\n author={Daniel Levy and Siba Smarak Panigrahi and S{\\'e}kou-Oumar Kaba and Qiang Zhu and Mikhail Galkin and Santiago Miret and Siamak Ravanbakhsh},\n booktitle={AI for Accelerated Materials Design - NeurIPS 2024},\n year={2024},\n url={https://openreview.net/forum?id=V7x2KZQn2v}\n }\n" }, { "path": "doc/Usage.rst", "content": "PyXtal as a library\n===================\n\nWhile the PyXtal can be used in the command mode, it can become much more\npowerful with Python scripting. Here we describe the basic functionality of\nPyXtal as a Python Library. This tutorial aims to cover the following contents:\n\n- Built-in PyXtal tools\n- Crystal structure generation\n- Crystal structure manipulation\n\n\nAvailable Tools in PyXtal\n-------------------------\n\nPyXtal includes the following functions:\n\n- `Group `_\n- `Wyckoff_position `_\n- `pyxtal_molecule `_\n- `Lattice `_\n- `Tol_matrix `_\n\npyxtal.symmetry.Group\n~~~~~~~~~~~~~~~~~~~~~\n\nThe Group package makes working with symmetry groups simple. Useful information\ncan be accessed directly as follows:\n\n.. code-block:: Python\n\n >>> from pyxtal.symmetry import Group\n >>> g = Group(45)\n >>> g\n -- Space group # 45 --\n 8c\tsite symm: 1\n 4b\tsite symm: ..2\n 4a\tsite symm: ..2\n >>> g.chiral # check if the space group is enantiomorphic\n False\n >>> g.inversion #check if it has inversion symmetry\n False\n >>> g.polar #check if it is polar\n True\n\n\nIt is important to note that one space group may have multiple settings (see the\n`Settings `_ page for details). To avoid the ambiguity, Hall\nintroduced the explicit-origin space group notation. Following the Hall notation,\nthere exist 530 Concise space groups. The full list is available\n`online `_.\nIn PyXtal, we also the initialization of space group according to Hall number.\nBelow shows an example to create the Group object of ``Fd-3m (227)``\nwith the choice 1 of origin.\n\n.. code-block:: Python\n\n >>> g = Group(525, use_hall=True)\n >>> g.symbol\n 'F d -3 m:1'\n >>> g[-1]\n Wyckoff position 8a in space group 227 with site symmetry -4 33 mm\n 1/4, 1/4, 1/4\n ...\n 1/2, 0, 1/2\n\nFor a comparison, we also show ``Fd-3m (227)`` in the standard setting of\nwith the choice 2 of origin. These two notations only differ in\nwhich symmetry point is placed at (0,0,0).\n\n.. code-block:: Python\n\n >>> g = Group(526, use_hall=True)\n >>> g.symbol\n 'F d -3 m:2'\n >>> g[-1]\n Wyckoff position 8a in space group 227 with site symmetry -4 33 mm\n 1/8, 1/8, 1/8\n ...\n 3/8, 7/8, 3/8\n\n\nIf one wants to follow the spglib style to initialize the Group object, the\nfollowing way should work,\n\n.. code-block:: Python\n\n >>> g = Group(227, style='spglib')\n >>> g.hall_number\n 525\n\n\nLayer, rod, and point groups can be accessed by passing the parameter ```dim=2``,\n``dim=1``, or ``dim=0``, respectively.\n\n.. code-block:: Python\n\n >>> Group(5, dim=2)\n -- Layer group # 5 --\n 2a\tsite symm: 1\n >>> Group(5, dim=1)\n -- Rod group # 5 --\n 2a\tsite symm: 1\n >>> Group(5, dim=0)\n -- Point group 5 --\n 4d\tsite symm: 1\n 2c\tsite symm: m . .\n 2b\tsite symm: 2 . .\n 1a\tsite symm: 2/m . .\n\nA Group instance contains the Wyckoff positions, site symmetry, and generators\nfor the group. In addition, the Group class stores the lattice type\n(``lattice_type``), international number (``number``), symbol (``symbol``),\nand the periodic boundary conditions (``PBC``). Each group is divided into\nWyckoff positions, which are sets of points which possess some subset of the\ncomplete group symmetry.\n\n\npyxtal.symmetry.Wyckoff_position\n~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\nA Wyckoff position is typically denoted with a number-letter combination,\ndepending on its multiplicity. For example, for space group ``Iba2 (45)``,\nthe general Wyckoff position is called ``8c``. This means the position has\na multiplicity of 8. The letters ``a`` and ``b`` are used by special Wyckoff\npositions. Note that the name convention is different for point groups; a point\ngroup may have the special Wyckoff position ``1o``, which corresponds to the point\n(0,0,0). This is in contrast to the default name ``1a``. Each Wyckoff position\nis further separated into individual operations\n``('-x,-y,z', '1,1/2,z+1/2', etc.)``.\n\nWhen a ``Group`` is defined, its ``Wyckoff_position`` can be accessed\nwith either a numerical index or letter.\n\n.. code-block:: Python\n\n >>> g[0]\n Wyckoff position 8c in space group 45 with site symmetry 1\n x, y, z\n -x, -y, z\n ...\n x+1, -y+1, z+1/2\n -x+1, y+1, z+1/2\n >>> g['b']\n Wyckoff position 4b in space group 45 with site symmetry ..2\n 0, 1/2, z\n ...\n 1, 1/2, z+1/2\n\nAs displayed in the example above, the Wyckoff position ``4b`` has site symmetry\n``..2``. In this example, ``.`` denotes no symmetry about the x and y axes, and\n``2`` denotes a 2-fold rotation about the z axis in Hermann-Mauguin notation.\nIn each WP, the symmetry operations are stored as\n`SymmOp `_ objects. These\nsymmetry operations can be applied to 3d vectors using ``op.operate``, or can be\ncomposed together via multiplication: ``op3 = op1 * op2``. Each ``SymmOp``\nconsists of a rotation matrix (``op.rotation_matrix``) and a translation vector\n(``op.translation_vector``), and is represented by a 4 x 4 affine\nmatrix (``op.affine_matrix``).\n\nAlternatively, the WP can be initialized by itself.\n\n.. code-block:: Python\n\n >>> from pyxtal.symmetry import Wyckoff_position as wp\n >>> wp.from_group_and_index(19, 0)\n Wyckoff position 4a in space group 19 with site symmetry 1\n x, y, z\n -x+1/2, -y, z+1/2\n -x, y+1/2, -z+1/2\n x+1/2, -y+1/2, -z\n\n\n\n\npyxtal.molecule.pyxtal_molecule\n~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\nThere are three options for defining molecules within Pyxtal. First, you need to\nimport the ``pyxtal_molecule`` class,\n\n.. code-block:: Python\n\n from pyxtal.molecule import pyxtal_molecule\n\n\n1) From a pre-defined string for the chemical composition\n\n.. code-block:: Python\n\n mol = pyxtal_molecule('H2O')\n\nThe list of supported molecules are accessible via:\n\n.. code-block:: Python\n\n >>> pyxtal_molecule.list_molecules()\n >>> ['C60', 'Glycine-z', 'xxvi', 'xxv', 'BIPHEN', 'ANULEN',\n 'QUPHEN', 'DBPERY', 'TBZPER', 'TBZPYR', 'YICMOP', 'MERQIM',\n 'H2O', 'CH4', 'NH3', 'benzene', 'naphthalene', 'anthracene',\n 'tetracene', 'Pentacene', 'coumarin', 'resorcinol', 'benzamide',\n 'aspirin', 'ddt', 'lindane', 'Glycine', 'Glucose', 'ROY', 'LEFCIK',\n 'OFIXUX', 'HAHCOI', 'JAPWIH', 'WEXBOS', 'LAGNAL', 'LUFHAW',\n 'PAHYON01', 'AXOSOW01']\n\n\n2) From a `Molecule `_ object.\n\n.. code-block:: Python\n\n from pymatgen.core import Molecule\n\n xyz=\"\"\"3\n Water molecule\n O 0.00000 0.00000 0.11779\n H 0.00000 0.75545 -0.47116\n H 0.00000 -0.75545 -0.47116\n \"\"\"\n\n m = Molecule.from_str(xyz, fmt='xyz')\n mol = pyxtal_molecule(m)\n\n\n # Alternatively, one can load a xyz molecule file.\n # It will be converted to pymatgen.molecule and then passed to pyxtal.\n mol = pyxtal_molecule('h2o.xyz')\n\n\n3) a smile string representing the molecule. For example, ``C1=CC=CC=C1.smi``\nmeans a benzene molecule. Note that the `.smi` suffix must be included to\nindicate that this is a smile string. In this case, **RDKit must be installed\nto use this function.**. One can install RDKit by simply typing\n\n``$ conda install -c conda-forge rdkit==2021.09.2``.\n\nNote that the current code is designed for version no later than ``2021.09.2``.\n\n.. code-block:: Python\n\n mol = pyxtal_molecule('CC(=O)NC1=CC=CC=C1C(=O)N.smi')\n\n\nAfter the molecule is defined, its point group will also be parsed:\n\n.. code-block:: Python\n\n mol = pyxtal_molecule('H2O')\n print(mol.pg)\n\n::\n\n -- Pointgroup --# 7 (C2v)--\n 4d\tsite symm: 1\n 2c\tsite symm: m . .\n 2b\tsite symm: m . .\n 1a\tsite symm: mm2 . .\n\n\npyxtal.lattice.Lattice\n~~~~~~~~~~~~~~~~~~~~~~\n\nIt is possible to supply your own unit cell lattice for a random crystal,\nvia the `pyxtal.lattice.Lattice `_ class. You can define a lattice using\neither a 3 x 3 matrix, or 6 cell parameters:\n\n.. code-block:: Python\n\n from pyxtal.lattice import Lattice\n l1 = Lattice.from_matrix([[4.08,0,0],[0,9.13,0],[0,0,5.50]])\n l2 = Lattice.from_para(4.08, 9.13, 5.50, 90, 90, 90)\n\nHere, both ``l1`` and ``l2`` describe the same lattice.\nIn this case, it is an orthorhombic cell with lengths 4.08, 9.13, and 5.50 Å,\nwhich is the unit cell for common water ice. The lattice parameters are,\nin order: (a, b, c, :math:`\\alpha, \\beta, \\gamma`).\na, b, and c are the lengths of the lattice vectors;\n:math:`\\alpha, \\beta, \\gamma` are the angles in degrees between these vectors.\n\n\npyxtal.tolerance.Tol_matrix\n~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\nWhen generating random crystals, PyXtal performs inter-atomic distances checks\nto make sure the atoms are not too close together. By default, the covalent\nradius is used as a basis. However, the user may also define their own criteria\nusing the `pyxtal.tolerance.Tol_matrix `_ class.\nTo do this, initialize a ``Tol_matrix`` object using one of the built-in methods.\n\n.. code-block:: Python\n\n from pyxtal.tolerance import Tol_matrix\n tol_m_1 = Tol_matrix(prototype=\"molecular\", factor=2.0)\n tol_m_2 = Tol_matrix.from_radii(some_custom_list_of_atomic_radii)\n tol_m_3 = Tol_matrix.from_matrix(some_custom_2D_tolerance_matrix)\n\n\n\nCrystal structure generation\n----------------------------\nPyXtal allows one to generate the crystal from either the existing structure or\nfrom the scratch. First, One can always load an existing crystal from a given\nfile path. More importantly, PyXtal can generate the trial structure according\nto the customized factors such as space group, cell parameters, partial\noccupation. It also supports on handling different systems from atomic to\nmolecular, and from 1D to 3D.\n\nLoading the existing structures\n~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\nAssuming there is a file in either cif or VASP POSCAR format, one can just\nload the structure by the ``from_seed`` function.\n\n.. code-block:: Python\n\n from pyxtal import pyxtal\n my_crystal = pyxtal()\n\n my_crystal.from_seed(seed=struc_file, style='pyxtal')\n my_crystal.from_seed(seed=struc_file, style='spglib')\n\nNote that the ``style`` flag allows one to represent the structure in different\nspace group settings.\n\nFor the molecular crystal, the molecular information must be provided as a list\n(see the molecule section for more details).\n\n.. code-block:: Python\n\n from pyxtal import pyxtal\n my_crystal = pyxtal(molecular=True)\n my_crystal.from_seed(seed=struc_file, molecule=['aspirin'])\n\nIn addition to the existing files in either cif or VASP POSCAR, pyxtal also\nprovides the interface with Pymatgen and ASE, which support a variety of\nstructure formats. Below we show a few working examples.\n\n.. code-block:: Python\n\n from pyxtal import pyxtal\n c = pyxtal()\n\n # load the structure from ase\n from ase.io import read\n ase_atoms = read('1.cif', format='cif')\n c.from_seed(ase_atoms)\n\n # load the structure from pymatgen\n from pymatgen.core import Structure\n pmg = read('1.cif', format='cif')\n c.from_seed(pmg)\n\nThere is also a shortcut to allow the user to quickly make a well known structure prototype\nvia the ``from_prototype`` function,\n\n.. code-block:: Python\n\n\t>>> from pyxtal import pyxtal\n\t>>> c = pyxtal()\n\t>>> c.from_prototype('graphite')\n\t>>> c\n\n\t------Crystal from Build------\n\tDimension: 3\n\tComposition: C4\n\tGroup: P 63/m m c (194)\n \t2.4600, 2.4600, 6.7000, 90.0000, 90.0000, 120.0000, hexagonal\n\n\tWyckoff sites:\n\tC @ [ 0.3333 0.6667 0.2500], WP [2c] Site [-622m2]\n\tC @ [ 0.0000 0.0000 0.2500], WP [2b] Site [-622m2]\n\n\nNote that this function so far only supports `graphite`, `diamond`, `a-cristobalite`, `b-cristobalite`, `a-quartz`, `b-quartz`, `rocksalt`, `B1`, `B2`.\n\nA more general approach is to call the ``build`` function,\n\n.. code-block:: Python\n\n\tfrom pyxtal import pyxtal\n\tfrom pyxtal.lattice import Lattice\n\n\tc = pyxtal()\n\tl = Lattice.from_para(5.62, 5.62, 5.62, 90, 90, 90, ltype='Cubic')\n\n\t# define the sites as dictionary \n\tsites = [{\"4a\": None}, # Na \n \t {\"4b\": None}, # Cl\n \t]\n\tc.build(225, ['Na', 'Cl'], [4, 4], lattice=l, sites=sites)\n\tprint(c)\n\nor the ``from_spg_wps_rep`` function\n\n.. code-block:: Python\n\n\tfrom pyxtal import pyxtal\n\tc = pyxtal()\n\tc.from_spg_wps_rep(194, ['2c', '2b'], [2.46, 6.70]) # graphite\n\tc.from_spg_wps_rep(227, ['8a'], [3.6]) # diamond\n\tc.from_spg_wps_rep(225, ['4a', '4b'], [5.59], ['Na', 'Cl'] # B1-rocksalt\n\n\nRandom 3D Atomic Crystals\n~~~~~~~~~~~~~~~~~~~~~~~~~\n\nPyXtal allows the user to generate random crystal structures with given symmetry\nconstraints. There are several parameters which can be specified, but only three\nare necessary:\n\n- the symmetry group,\n- the types of atoms,\n- the number of each atom in the primitive cell\n\nHere is a simple example of a 3D carbon crystal:\n\n.. code-block:: Python\n\n from pyxtal import pyxtal\n my_crystal = pyxtal()\n my_crystal.from_random(3, 225, ['C'], [12])\n\nThis would create a crystal structure with 3D structure with space group 225,\n12 carbon atoms in the conventional cell. For stoichiometry with more than one\ntype of atom, replace ``[C]`` with a list of atomic symbols, and replace ``[12]``\nwith a list of numbers. For example,\n\n.. code-block:: Python\n\n >>> my_crystal = pyxtal()\n >>> my_crystal.from_random(3, 99, ['Ba','Ti','O'], [1,1,3], random_state=10)\n >>> my_crystal\n\n ------Crystal from random------\n Dimension: 3\n Composition: Ba1Ti1O3\n Group: P 4 m m (99)\n 4.0080, 4.0080, 9.3650, 90.0000, 90.0000, 90.0000, tetragonal\n Wyckoff sites:\n Ba @ [ 0.5000 0.5000 0.7043], WP [1b] Site [4mm]\n Ti @ [ 0.0000 0.0000 0.2199], WP [1a] Site [4mm]\n O @ [ 0.5000 0.0000 0.3652], WP [2c] Site [2mm.]\n O @ [ 0.0000 0.0000 0.6833], WP [1a] Site [4mm]\n\nwould create a random ``BaTiO3`` crystal. If the generation is successful, the value of ``my_crystal.valid`` will be set to ``True``; otherwise, it will be ``False``. Keep in mind that the you can pass an integer value to ``random_state`` to ensure the reproducibility. This feature would be useful for many different purposes. \n\nIf you want to generate many random structures with a fixed random number generator, we recommend the following scripts by setting up a random number generator via ``np.random.default_rng``:\n\n.. code-block:: Python\n\n from pyxtal import pyxtal\n import numpy as np\n rng = np.random.default_rng(0)\n\n xtals = []\n for i in range(10):\n xtal = pyxtal()\n xtal.from_random(3, 99, ['Ba','Ti','O'], [1,1,3], random_state=rng)\n xtals.append(xtal)\n\nSimilar setup can be applied to other modules as well.\n\nRandom 3D molecular crystals\n~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\n3D Molecular crystals are generated in the same way as atomic crystals,\nbut atomic species are replaced with (rigid) molecules. The following script\nwould give a crystal with space group 36, 4 molecules in the conventional\nunit cell.\n\n.. code-block:: Python\n\n my_crystal = pyxtal(molecular=True)\n my_crystal.from_random(3, 36, ['H2O'], [4])\n\n ------Random Molecular Crystal------\n Dimension: 3\n Group: Cmc21\n Volume factor: 1.0\n orthorhombic lattice: 5.6448 6.3389 4.4262 90.0000 90.0000 90.0000\n Wyckoff sites:\n H2 O1 @ [ 0.000 0.596 0.986] Wyckoff letter: 4a, Site symmetry m.. ==> Rotvec: -0.343 0.000 0.000\n\n\nFor molecular crystals, it is possible that a structure is better represented in\na non-standard setting. PyXtal supports the generation of crystals from a\nnon-standard setting (as defined by the Hall number). Below compares how to\ngenerate the crystals of :math:`P2_1/c` and :math:`P2_1/n`, which are both in\nspace group 14.\n\n.. code-block:: Python\n\n >>> from pyxtal import pyxtal\n >>> c1 = pyxtal(molecular=True)\n >>> c1.from_random(3, 81, [\"aspirin\"], use_hall=True)\n >>> c1\n ------Crystal from random------\n Dimension: 3\n Composition: [aspirin]4\n Group: P 1 21/c 1 (14)\n 12.6259, 15.1971, 12.3168, 90.0000, 84.2525, 90.0000, monoclinic\n Wyckoff sites:\n\tH8C9O4 @ [ 0.6281 0.9928 0.7032] WP [4e] Site [1] Euler [ 57.4 -46.9 89.8]\n\n >>> c1.from_random(3, 82, [\"aspirin\"], use_hall=True)\n >>> c1\n ------Crystal from random------\n Dimension: 3\n Composition: [aspirin]4\n Group: P 1 21/n 1 (14)\n 16.4395, 16.5499, 9.4357, 90.0000, 113.6587, 90.0000, monoclinic\n Wyckoff sites:\n\tH8C9O4 @ [ 0.0181 0.6252 0.5789] WP [4e] Site [1] Euler [-179.0 46.1 -63.9]\n\n\nWhile the module is called molecular crystal, one can also use it to general MOF-like structures (e.g., `Na(N3)`) by setting molecular blocks as follows \n\n.. code-block:: Python\n\n\tfrom pyxtal import pyxtal\n\txtal = pyxtal(molecular=True)\n\tfrom pyxtal.molecule import pyxtal_molecule\n\tm1 = pyxtal_molecule('Na+.smi')\n\tm2 = pyxtal_molecule('[N-]=[N+]=[N-].smi')\n\n\tfor i, data in enumerate([(14, [4, 4]),\n \t (36, [4, 4]),\n ]):\n \t(spg, numIons) = data\n \txtal.from_random(3, 14, [m1, m2], [4, 4])\n \txtal.to_file(f\"{i}-{spg}.cif\")\n\n\nRandom sub-periodic crystals\n~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\nPyXtal can also generate sub-periodic crystals. For example,\n\n.. code-block:: Python\n\n my_crystal = pyxtal()\n my_crystal.from_random(2, 20, ['C'], [4], thickness=2.0)\n\nwould generate a 2d crystal with\n\n- layer group ``P2_122 (20)``,\n- 4 carbon atoms in the conventional cell,\n- a thickness of 2.0 Å.\n\n\nThe crystal will be periodic in two directions instead of three. PyXtal adds\n10 Å of vacuum on the z axis (which is non-periodic). Note that the\nlayer group number is different from the space group number, and ranges between\n1 and 80. By default, PyXtal will automatically generate a value for the\nthickness of the unit cell, based on the volume. By specifying thickness value,\nyou override this behavior. So, if you are testing over a range of volume\nfactors, consider how the shape of the unit cell will be affected, and change\nthe thickness accordingly. Alternatively, you\nmay supply a custom Lattice object.\n\nYou can generate 1D crystals using Rod groups (between 1 and 75) and atomic\nclusters with point group symmetry.\n\n.. code-block:: Python\n\n 1d = pyxtal()\n 1d.from_random(1, 20, ['C'], [4])\n\n 0d= pyxtal()\n 0d.from_random(0, 'Ih', ['C'], [60])\n\n\nThe point group may be specified either by a number (only for the crystallographic\npoint groups), or by a symbol (see the `Settings `_ page).\n\n\n2D and 1D molecular crystals are also supported.\n\n.. code-block:: Python\n\n my_crystal = pyxtal()\n my_crystal.from_random(2, 20, ['H2O'], [4])\n my_crystal.from_random(1, 20, ['H2O'], [4])\n\n\nCrystal structure Post Analysis\n-------------------------------\nAfter the crystal is built, PyXtal allows one to manipulate the structure in\ndifferent ways. The following script illustrate some useful functions.\n\n.. code-block:: Python\n\n # create a random crystal\n c = pyxtal()\n c.from_random(3, 227, ['C'], [8])\n\n ------Crystal from random------\n Dimension: 3\n Composition: C8\n Group: F d -3 m:2 (227)\n 4.9107, 4.9107, 4.9107, 90.0000, 90.0000, 90.0000, cubic\n Wyckoff sites:\n\tC @ [ 0.1250 0.1250 0.1250], WP [8a] Site [-433mm]\n\n # get a subgroup representation\n c.subgroup_once(H=141)\n ------Crystal from subgroup------\n Dimension: 3\n Composition: C8\n Group: I 41/a m d:2 (141)\n 3.4724, 3.4724, 4.9667, 90.0000, 90.0000, 90.0000, tetragonal\n Wyckoff sites:\n\tC @ [ 0.0000 0.7500 0.1250], WP [4a] Site [-4mm2]\n\n # compute the pxrd\n >>> c.get_XRD()\n 2theta d_hkl hkl Intensity Multi\n 31.556 2.835 [ 1 1 1] 100.00 8\n 52.723 1.736 [ 2 2 0] 42.05 12\n 62.755 1.481 [ 3 1 1] 21.09 24\n 77.799 1.228 [ 4 0 0] 5.08 6\n 86.361 1.127 [ 3 3 1] 7.87 24\n 100.543 1.002 [ 4 2 2] 12.92 24\n 109.320 0.945 [ 5 1 1] 8.55 24\n 125.261 0.868 [ 4 4 0] 7.45 12\n 136.483 0.830 [ 5 3 1] 18.32 48\n 166.319 0.776 [ 6 2 0] 58.30 24\n\nIn addition, the structure can be exported to a variety of formats for further\nanalysis and process.\n\n.. code-block:: Python\n\n from pyxtal import pyxtal\n c = pyxtal()\n c.from_random(3, 225, ['C'], [16])\n\n # export the structure to pymatgen or ase.Atoms object.\n pmg_struc = c.to_pymatgen()\n ase_struc = c.to_ase()\n\n # ase.Atoms object supports a lot of methods for structural manipulation\n ase_struc *= 2 # create 2*2*2 supercell\n ase_struc *= [1, 2, 2] # create 1*2*2 supercell\n\n # Export the structure into different formats\n ase_struc.write('1.vasp', format='vasp', vasp5=True, direct=True)\n ase_struc.write('1.xyz', format='extxyz')\n\n\nFor the molecular crystals, the atomic order will automatically adjusted\nwhen converting when the structure is converted to `ASE Atoms` object.\nIf you want to keep the original order, just set ``resort=False``\nwhen calling the ``to_ase()`` function.\n\n.. code-block:: Python\n\n my_crystal = pyxtal()\n my_crystal.from_random(3, 36, ['H2O'], [4], 1.0)\n xtal = my_crystal.to_ase(resort=False)\n print(xtal)\n\n Atoms(symbols='OH2OH2OH2OH2', pbc=True, cell=[[6.503138824544265, 0.0, 0.0], [3.0183112928813903e-16, 4.929276416649856, 0.0], [3.025303230945897e-16, 3.025303230945897e-16, 4.940695118057273]])\n\n ordered_xtal = my_crystal.to_ase()\n print(ordered_xtal)\n Atoms(symbols='H8O4', pbc=True, cell=[[6.503138824544265, 0.0, 0.0], [3.0183112928813903e-16, 4.929276416649856, 0.0], [3.025303230945897e-16, 3.025303230945897e-16, 4.940695118057273]])\n\n\nSubgroup/supergroup manipulation\n--------------------------------\nSymmetry relation has been playing an important role in crystallography. PyXtal provides several utilities to allow one to conveniently explore the subgroup or supergroup symmetries.\n\nGenerating subgroup and supergroup xtals\n~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n.. code-block:: Python\n\n from pyxtal import pyxtal\n\n # load a graphite crystal\n xtal=pyxtal()\n xtal.from_spg_wps_rep(194, ['2c', '2b'], [2.46, 6.70])\n\n print(\"Derive subgroup graphite structures\")\n sub_t_xtals = xtal.subgroup(eps=0.01, group_type='t')\n print(\"t_subgroup xtals\", len(sub_t_xtals))\n sub_k_xtals = xtal.subgroup(eps=0.01, group_type='k', max_cell=9)\n print(\"k_subgroup xtals\", len(sub_k_xtals))\n\nExecuting this above scripts will lead to the following output:\n\n.. code-block:: Python\n\n Derive subgroup graphite structures\n t_subgroup xtals 10\n k_subgroup xtals 22\n\n\nThis way, you can easily find derivative crystals in the suboptimal representations. Conversely, it is also possible to identify the likely supergroup xtal. The following snippet codes can be used to design illustrate pyxtal functionalities.\n\n.. code-block:: Python\n\n from pyxtal import pyxtal\n\n # load a graphite crystal and make the subgroup representation\n xtal=pyxtal()\n xtal.from_spg_wps_rep(194, ['2c', '2b'], [2.46, 6.70])\n xtal_sub = xtal.subgroup_once(H=164)\n\n # recheck the symmetry by varying the tolerance values\n for tol in [2e-1, 1e-1, 1e-2]:\n print(\"Refind the symmetry with tol\", tol, xtal_sub.resymmetrize(tol).group.number)\n\n # make the supergroup symmetry\n xtals, solutions = xtal_sub.supergroup(G=194)\n print(xtals[0])\n print(solutions)\n\n\n # Output \n Refind the symmetry with tol 0.2 194\n Refind the symmetry with tol 0.1 164\n Refind the symmetry with tol 0.01 164\n\n Recovered xtal with the supergroup symmetry\n\n ------Crystal from supergroup 0.014------\n Dimension: 3\n Composition: C4\n Group: P 63/m m c (194)\n 2.4622, 2.4622, 6.7643, 90.0000, 90.0000, 120.0000, hexagonal\n Wyckoff sites:\n C @ [ 0.0000 0.0000 0.2500], WP [2b] Site [-622m2]\n C @ [ 0.3333 0.6667 0.2500], WP [2c] Site [-622m2]\n\n The mapping relation between sub/super group symmetries\n [(Wycokff split from 194 to 164\n\n 2b -> 2c\n 0, 0, 1/4 -> 0, 0, 1/4 -> 0, 0, z\n 0, 0, 3/4 -> 0, 0, 3/4 -> 0, 0, -z\n\n 2c -> 2d\n 1/3, -1/3, 1/4 -> 1/3, 2/3, 1/4 -> 1/3, 2/3, z\n 2/3, 1/3, 3/4 -> 2/3, 1/3, 3/4 -> 2/3, 1/3, -z\n , [1, 0], array([0. , 0. , 0.00206797]), 0, 0.014137159092037652)]\n\n\n\nChemical Substitution\n~~~~~~~~~~~~~~~~~~~~~\n\nIn many cases, the crystal structures of mutlicompnent systems are strongly related to the structure of simple systems. For instance, the 1:1 ratio boron nitrides, as an isoelectronic analogue to carbon, exihibit very similar structural behaviors as compared to elemental carbon allotropes. Similarly, many of the known AlPO\\ :sub:`4` polymorphs are related to SiO\\ :sub:`2`. \n\nInspired by these known correlation, PyXtal offers the `substitue_1_2 `_ function to derive the BC compounds from A via subgroup relation (e.g., from C to BN or from SiO\\ :sub:`2` to AlPO\\ :sub:`4`). The key idea is to split A's Wyckoff sites to B and C according to the BC composition constraints. Unlike the random substitution, the Wyckoff position splitting strictly follows the group-subgroup relation. As such, the resulting compound retains a high space group symmetry from the parental structure. Below, we illustrate this function via a few examples.\n\nBelow is a script to make a 1:1 ratio BN compound from the diamond carbon allotrope.\n\n.. code-block:: Python\n\n from pyxtal import pyxtal\n\n # load a diamond crystal\n xtal=pyxtal()\n xtal.from_spg_wps_rep(227, ['8a'], [3.6], ['C'])\n\n print(\"Derive symmetry related BN crystal from diamond\")\n xtals = xtal.substitute_1_2({'C': ['B', 'N']})\n\n\n Derive symmetry related BN crystal from diamond\n Add substitution * 8 1 216 F-43m 3.53 4a 4d\n Found 1 substitutions in total\n\n\nIf you want to generate more BN crystals, you can first generate the subgroup representation and then apply the ``substitute_1_2`` function.\n\n.. code-block:: Python\n\n print(\"Derive even more BN crystals from diamond subgroup representations\")\n for sub in xtal.subgroup(group_type='t+k'):\n xtals = sub.substitute_1_2({'C': ['B', 'N']})\n\n Derive even more BN crystals from diamond subgroup representations\n Add substitution * 4 2 119 I-4m2 3.53 2d 2b\n Found 1 substitutions in total\n Add substitution * 4 2 119 I-4m2 3.53 2d 2b\n Found 1 substitutions in total\n Add substitution * 4 2 119 I-4m2 3.53 2d 2b\n Found 1 substitutions in total\n Add substitution * 6 4 160 R3m 3.53 3a 3a\n Add substitution * 12 4 166 R-3m 3.53 6c 6c\n Add substitution * 12 4 166 R-3m 3.53 6c 6c\n Found 3 substitutions in total\n Add substitution * 6 4 160 R3m 3.53 3a 3a\n Add substitution * 12 4 166 R-3m 3.53 6c 6c\n Add substitution * 12 4 166 R-3m 3.53 6c 6c\n Found 3 substitutions in total\n Add substitution * 6 4 160 R3m 3.53 3a 3a\n Add substitution * 12 4 166 R-3m 3.53 6c 6c\n Add substitution * 12 4 166 R-3m 3.53 6c 6c\n Found 3 substitutions in total\n Add substitution * 6 4 160 R3m 3.53 3a 3a\n Add substitution * 12 4 166 R-3m 3.53 6c 6c\n Add substitution * 12 4 166 R-3m 3.53 6c 6c\n Found 3 substitutions in total\n Add substitution * 8 1 196 F23 3.53 4a 4d\n Found 1 substitutions in total\n Add substitution * 8 1 196 F23 3.53 4b 4d\n Found 1 substitutions in total\n\n\nAdditionally, you may want to generate a more homogeously substituted BN crystal in which each B(N) is 4-coordinated to N(B) from the diamond crystal. In this case, you can set a criteria dictionary to filter the unsatsified structure as follows.\n\n\n.. code-block:: Python\n\n print(\"\\nDerive a BN crystal in which each B(N) is 4-coordinated to N(B)\")\n criteria = {'CN': {'B': 4, 'N': 4}, 'cutoff': 1.9, 'exclude_ii': True}\n xtals = sub.substitute_1_2({'C': ['B', 'N']}, ratio=[1, 1], criteria=criteria)\n\n Derive a BN crystal in which each B(N) is 4-coordinated to N(B)\n Add substitution * 8 1 216 F-43m 3.53 4a 4d\n Found 1 substitutions in total\n\nFinally, this function is not limited to elemental-binary substitution. For example, \nbelow shows a case to convert an α-cristobalite SiO\\ :sub:`2` structure to AlPO\\ :sub:`4` by \nselectively substituting Si atoms:\n\n\n.. code-block:: Python\n\n # load the alpha-cristobalite SiO2\n xtal_sio2 = pyxtal()\n xtal_sio2.from_prototype('a-cristobalite')\n print(xtal_sio2)\n\n xtals_alpo4 = xtal_sio2.substitute_1_2({'Si': ['Al', 'P']})\n print(xtals_alpo4)\n\n\n ------Crystal from Build------\n Dimension: 3\n Composition: Si4O8\n Group: P 41 21 2 (92)\n 5.0847, 5.0847, 7.0986, 90.0000, 90.0000, 90.0000, tetragonal\n Wyckoff sites:\n\t Si @ [ 0.2944 0.2944 0.0000], WP [4a] Site [..2]\n\t O @ [ 0.0941 0.2410 0.8256], WP [8b] Site [1]\n\n Add substitution * 24 11 20 C2221 2.21 4b 4a 8c 8c\n Found 1 substitutions in total\n [\n ------Crystal from subgroup------\n Dimension: 3\n Composition: O16P4Al4\n Group: C 2 2 21 (20)\n 7.1909, 7.1909, 7.0986, 90.0000, 90.0000, 90.0000, orthorhombic\n Wyckoff sites:\n \tAl @ [ 0.0000 0.7089 0.2500], WP [4b] Site [.2.]\n \t P @ [ 0.2077 0.0000 0.0000], WP [4a] Site [2..]\n \t O @ [ 0.9261 0.1658 0.5751], WP [8c] Site [1]\n \t O @ [ 0.8325 0.4278 0.8240], WP [8c] Site [1]]\n\nAdvanced examples in random structure generation\n-------------------------------------------------\n\nIn addition to the required parameters, the user can provide additional\nconstraints.\n\nConstraints on lattice and sites\n~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\nSometimes, it is convenient to generate the crystal with partial information.\nBelow shows how to create a Al\\ :sub:`2`\\ SiO\\ :sub:`5`\\ crystal with a pre-assigned unit\ncell and sites on ``8Al + 4Si + 4O``, and random coordinates on the 16 remaining\nO atoms.\n\n.. code-block:: Python\n\n from pyxtal.lattice import Lattice\n cell = Lattice.from_para(7.8758, 7.9794, 5.6139, 90, 90, 90, ltype='orthorhombic')\n spg = 58\n elements = ['Al', 'Si', 'O']\n composition = [8, 4, 20]\n\n sites = [{\"4e\": [0.0000, 0.0000, 0.2418],\n \"4g\": [0.1294, 0.6392, 0.0000],\n },\n {\"4g\": [0.2458, 0.2522, 0.0000]},\n {\"4g\": [[0.4241, 0.3636, 0.0000], [0.5538, 0.2648, 0.0000]]}, #partial information on O sites\n ]\n\n s = pyxtal()\n s.from_random(3, spg, elements, composition, lattice=cell, sites=sites)\n print(s)\n\n ------Crystal from random------\n Dimension: 3\n Composition: O20Si4Al8\n Group: Pnnm (58)\n 7.8758, 7.9794, 5.6139, 90.0000, 90.0000, 90.0000, orthorhombic\n Wyckoff sites:\n Al @ [ 0.0000 0.0000 0.2418], WP [4e] Site [..2]\n Al @ [ 0.1294 0.6392 0.0000], WP [4g] Site [..m]\n Si @ [ 0.2458 0.2522 0.0000], WP [4g] Site [..m]\n O @ [ 0.4241 0.3636 0.0000], WP [4g] Site [..m]\n O @ [ 0.5538 0.2648 0.0000], WP [4g] Site [..m]\n O @ [ 0.0000 0.0000 0.5000], WP [2b] Site [..2/m]\n O @ [ 0.0000 0.5000 0.0000], WP [2c] Site [..2/m]\n O @ [ 0.4348 0.6979 0.2566], WP [8h] Site [1]\n\n\nSimilarly, PyXtal allows the user to pre-assign the partial information (e.g.,\nlattice, Wyckoff sites) before generating the crystals. A list of scripts is\nshown below.\n\n.. code-block:: Python\n\n s = pyxtal()\n # Generatation with minimum input\n s.from_random(from_random(3, 14, ['aspirin'], [4])\n\n # Add Lattice constraints\n from pyxtal.lattice import Lattice\n lat = Lattice.from_para(11.43, 6.49, 11.19, 90, 83.31, 90, ltype='monoclinic')\n s.from_random(3, 14, ['aspirin'], [4], lattice=lat)\n\n # Add sites constraints\n sites = [{\"4e\": [0.77, 0.57, 0.53]}]\n s.from_random(3, 14, ['aspirin'], [4], lattice=lat, sites=sites)\n\n # Crystal with 2 water molecules occupying two special wyckoff sites\n # This requires that the molecule is compatible with the site symmetry, be cautious!\n s.from_random(3, 36, [\"H2O\"], [8], sites=[[\"4a\", \"4a\"]])\n\n\nRandom molecular crystal without calling pyxtal_molecule\n~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\nIf you just want to generate a random molecular crystal, PyXtal will automatically\ninterpret the strings. Therefore, it is not necessary to call the\n``pyxtal_molecule`` class. See a short example below.\n\n.. code-block:: Python\n\n from pyxtal import pyxtal\n c1 = pyxtal(molecular=True)\n c1.from_random(3, 14, ['CC(=O)NC1=CC=CC=C1C(=O)N.smi'], [4])\n print(c1)\n\n\nRandom molecular crystal with constraints on torsion\n~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\nUsing the smiles string, one can specify the desired torsions\n\n.. code-block:: Python\n\n from pyxtal import pyxtal\n\n c1 = pyxtal(molecular=True)\n c1.from_random(3, 14, ['CC(=O)NC1=CC=CC=C1C(=O)N.smi'], [4], torsions=[[-60.2, 1.7, 126.5]])\n print(c1)\n print(\"Torsions\", c1.mol_sites[0].encode()[-4:-1])\n\n::\n\n ------Crystal from random------\n Dimension: 3\n Composition: [CC(=O)NC1=CC=CC=C1C(=O)N]4\n Group: P21/c (14)\n monoclinic lattice: 19.2246 13.2842 10.1448 90.0000 113.3669 90.0000\n Wyckoff sites:\n\t H10C9N2O2 @ [ 0.2497 0.4534 0.9597] WP: 4e, Site symmetry 1 ==> Euler: -66.31 25.98 -37.99\n Torsions [-60.19971274864328, 1.6999253045986045, 126.50111998425088]\n\n\n\nSymmetry Compatibility in Molecular Crystals\n~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n\nFor the molecules with high point group symmetry, it is possible that the\nmolecule can occupy the special Wyckoff site. Different from other codes,\nPyXtal offers an internal function to check if the molecular symmetry is\ncompatible with the Wyckoff site symmetry. Below is a short example to illustrate\nthe function.\n\n.. code-block:: Python\n\n from pyxtal.symmetry import Group\n from pyxtal.molecule import pyxtal_molecule\n\n mol = pyxtal_molecule('H2O')\n sgs = [14, 36, 63]\n\n for sg in sgs:\n spg = Group(sg)\n for wp in spg.Wyckoff_positions:\n if len(mol.get_orientations_in_wp(wp)) > 0:\n print(wp.__str__(True))\n\nIf you run the above script, it is expected to return all the possible Wyckoff\nsites that can host the H₂O molecule.\n\n::\n\n Wyckoff position 4e in space group 14 with site symmetry 1\n Wyckoff position 8b in space group 36 with site symmetry 1\n Wyckoff position 4a in space group 36 with site symmetry m..\n Wyckoff position 16h in space group 63 with site symmetry 1\n Wyckoff position 8g in space group 63 with site symmetry ..m\n Wyckoff position 8f in space group 63 with site symmetry m..\n Wyckoff position 8e in space group 63 with site symmetry 2..\n Wyckoff position 4c in space group 63 with site symmetry m2m\n\n\n1D Representation\n-----------------\n\nAtomic Crystals\n~~~~~~~~~~~~~~~~~~\n\nFor the atomic crystal, PyXtal provides a `get_1d_rep_x()` function to convert the crystal into a 1D representation. This function is useful for getting the reduced crystal variables for uniquely describing the crystal structure. \n\n.. code-block:: Python\n\n from pyxtal import pyxtal\n c1 = pyxtal()\n c1.from_prototype('a-cristobalite')\n rep = c1.get_1D_rep_x()\n print(rep)\n\n::\n\n array([5.085, 7.099, 0.294, 0.094, 0.241, 0.826])\n\n\nThe 1D representation is a numpy array that contains continuous variables to describe the unit cell and the Wyckoff sites. Using this representation, one can also build the crystal structure back. For example, the following code snippet shows how to build the crystal structure from the 1D representation.\n\n.. code-block:: Python\n\n xtal.from_spg_wps_rep(92, \n [\"4a\", \"8b\"], \n [5.085, 7.099, 0.294, 0.094, 0.241, 0.826], \n [\"Si\", \"O\"])\n print(xtal)\n\n::\n\n ------Crystal from 1D rep.------\n Dimension: 3\n Composition: Si4O8\n Group: P 41 21 2 (92)\n 5.0850, 5.0850, 7.0990, 90.0000, 90.0000, 90.0000, tetragonal\n Wyckoff sites:\n Si @ [ 0.2940 0.0940 0.2410], WP [4a] Site [..2]\n O @ [ 0.2410 0.8260 0.0000], WP [8b] Site [1]\n\n\nMolecular Crystals\n~~~~~~~~~~~~~~~~~~\n\nFor the molecular crystal, PyXtal also provides a\n`representation `_ class to handle the conversion\nbetween Pyxtal and its 1D representation. With this module, one can represent the crystal into a 1D array.\n\n.. code-block:: Python\n\n from pyxtal import pyxtal\n\n c1 = pyxtal(molecular=True)\n c1.from_seed('pyxtal/database/cifs/aspirin.cif', ['CC(=O)OC1=CC=CC=C1C(=O)O.smi'])\n rep = c1.get_1D_representation()\n print(rep.to_string())\n\n::\n\n 81 11.23 6.54 11.23 95.9 1 0.23 0.59 0.03 44.1 -25.2 32.5 82.9 2.8 -178.3 1\n\n\nIn the 1D string, the data is organized as follows\n\n- Hall number (1-530)\n- cell parameters: *a*, *b*, *c*, *α*, *β*, *γ*\n- molecular site: center coordinates + orientation + torsions + inversion\n\nAlternatively, one can read the structure from the 1D representation and smile string\n\n.. code-block:: Python\n\n from pyxtal.representation import representation\n rep1 = representation(rep.x, ['CC(=O)OC1=CC=CC=C1C(=O)O'])\n xtal = rep1.to_pyxtal()\n print(xtal)\n\n\n::\n\n ------Crystal from 1D rep.------\n Dimension: 3\n Composition: [CC(=O)OC1=CC=CC=C1C(=O)O]4\n Group: P 1 21/c 1 (14)\n 11.2330, 6.5440, 11.2310, 90.0000, 95.8900, 90.0000, monoclinic\n Wyckoff sites:\n\tH8C9O4 @ [ 0.2252 0.5852 0.0308] WP [4e] Site [1] Euler [ 44.1 -25.2 32.5]\n\n\nDatabase\n--------\n\nFor molecular crystals, PyXtal provides a\n`db `_ class to handle store the database with additional information related to the Cambridge Crystallographic Database. **This function requires the access of `CSD Python-api `_.**\n\nTo create a new database file (e.g., `test.db`),\n\n.. code-block:: Python\n \n from pyxtal.db import make_db_from_CSD\n db = make_db_from_CSD('test.db', ['ACSALA', 'BENZEN', 'COUMAR01'])\n print(\"Initial list of codes\", db.codes)\n db.add_from_code('NAPHTA')\n print(\"Updated list of codes\", db.codes)\n\n::\n\n 0 ACSALA\n 1 BENZEN\n 2 COUMAR01\n Initial list of codes ['ACSALA', 'BENZEN', 'COUMAR01']\n Updated list of codes ['ACSALA', 'BENZEN', 'COUMAR01', 'NAPHTA']\n\n\nTo view the database file, \n\n\n``$ ase db test.db``\n\n::\n\n csd_code|space_group|mol_smi \n ACSALA |P21/c |CC(=O)Oc1ccccc1C(O)=O\n BENZEN |Pbca |c1ccccc1 \n COUMAR01|Pca21 |O=C1Oc2ccccc2C=C1 \n NAPHTA |P21/c |c1ccc2ccccc2c1 \n Rows: 4\n\nTo update some information,\n\n.. code-block:: Python\n\n from pyxtal.db import database\n db = database('test.db')\n db.add_from_code('XATJOT')\n print(\"Updated list of codes\", db.codes)\n row = db.get_row('XATJOT')\n print(\"Original smiles\", row.mol_smi)\n db.db.update(row.id, mol_smi='[nH+]1cccc2cccnc12.OC(=O)/C=C/C(=O)[O-]')\n row = db.get_row('XATJOT')\n print(\"Update smiles\", row.mol_smi)\n\n::\n\n Updated list of codes ['ACSALA', 'BENZEN', 'COUMAR01', 'NAPHTA', 'XATJOT']\n Original smiles [nH+]1cccc2cccnc12.OC(=O)/C=C/C(=O)[O-]\n Update smiles [nH+]1cccc2cccnc12.OC(=O)/C=C/C(=O)[O-]\n\n\nTo access the pyxtal structure\n\n.. code-block:: Python\n\n from pyxtal.db import database\n db = database('test.db')\n xtal = db.get_pyxtal('XATJOT')\n print(xtal)\n\n::\n\n ------Crystal from Seed------\n Dimension: 3\n Composition: [[nH+]1cccc2cccnc12]4[OC(=O)/C=C/C(=O)[O-]]4\n Group: P c a 21 (29)\n 23.5010, 3.7141, 12.6535, 90.0000, 90.0000, 90.0000, orthorhombic\n Wyckoff sites:\n\t H7C8N2 @ [ 0.2272 0.3356 0.8232] WP [4a] Site [1] Euler [ 0.0 0.0 0.0]\n\t H3C4O4 @ [ 0.5328 0.0993 0.0601] WP [4a] Site [1] Euler [ 0.0 0.0 0.0]\n\n\nSpace Group and Site Symmetry\n-----------------------------\n\nPyXtal provides a `site_symmetry `_ \nclass to handle the conversion of site symmetry symbols and operations.\n\n\n.. code-block:: Python\n \n from pyxtal import pyxtal\n c = pyxtal()\n c.from_seed('pyxtal/database/cifs/NaSb3F10.cif')\n for site in c.atom_sites:\n print(site)\n ss = site.wp.get_site_symmetry_object()\n ss.to_beautiful_matrix_representation()\n\n::\n\n Na @ [ 0.3333 0.6667 0.0330], WP [2b] Site [3..]\n Order Axis 1 -1 2 m 3 4 -4 -3 6 -6 Group\n 0 ( 0 0 1): 1 0 0 0 1 0 0 0 0 0 3\n \n Sb @ [ 0.1163 0.3406 0.4500], WP [6c] Site [1]\n Order Axis 1 -1 2 m 3 4 -4 -3 6 -6 Group\n \n F @ [ 0.9650 0.4560 0.4190], WP [6c] Site [1]\n Order Axis 1 -1 2 m 3 4 -4 -3 6 -6 Group\n \n F @ [ 0.7960 0.1890 0.7060], WP [6c] Site [1]\n Order Axis 1 -1 2 m 3 4 -4 -3 6 -6 Group\n \n F @ [ 0.8890 0.1180 0.3600], WP [6c] Site [1]\n Order Axis 1 -1 2 m 3 4 -4 -3 6 -6 Group\n \n F @ [ 0.3333 0.6667 0.4550], WP [2b] Site [3..]\n Order Axis 1 -1 2 m 3 4 -4 -3 6 -6 Group\n 0 ( 0 0 1): 1 0 0 0 1 0 0 0 0 0 3\n\n\nOne can also access the matrix representation via the `to_matrix_representation `_ method.\n\n.. code-block:: Python\n\n matrix = ss.to_matrix_representation()\n\nThis will result in a `15×10` array to represent the presence of 10 fundamental symmetry elements in 15 possible high symmetry crystallograph axes.\n::\n \n # An example of 3-fold rotation symmetry on the (0 0 1) axis\n array([[1, 0, 0, 0, 0, 0],\n [1, 0, 0, 0, 0, 0, 0],\n [1, 0, 0, 0, 1, 0, 0],\n [1, 0, 0, 0, 0, 0, 0],\n [1, 0, 0, 0, 0, 0, 0],\n [1, 0, 0, 0, 0, 0, 0],\n [1, 0, 0, 0, 0, 0, 0],\n [1, 0, 0, 0, 0, 0, 0],\n [1, 0, 0, 0, 0, 0, 0],\n [1, 0, 0, 0, 0, 0, 0],\n [1, 0, 0, 0, 0, 0, 0],\n [1, 0, 0, 0, 0, 0, 0],\n [1, 0, 0, 0, 0, 0, 0],\n [1, 0, 0, 0, 0, 0, 0],\n [1, 0, 0, 0, 0, 0, 0],\n [1, 0, 0, 0, 0, 0, 0]]) \n\n\nThe one-hot matrix representation `(15, 13)` can also be obtained via \n\n.. code-block:: Python\n\n one_hot = ss.to_one_hot()\n\n::\n\n [[1 0 0 0 0 0 0 0 0 0 0 0 0] # 1\n [1 0 0 0 0 0 0 0 0 0 0 0 0] # 1\n [1 0 0 0 0 0 0 0 0 0 0 0 0] # 1\n [0 0 0 0 1 0 0 0 0 0 0 0 0] # 3\n [1 0 0 0 0 0 0 0 0 0 0 0 0] # 1\n [1 0 0 0 0 0 0 0 0 0 0 0 0] # 1\n [1 0 0 0 0 0 0 0 0 0 0 0 0] # 1\n [0 0 1 0 0 0 0 0 0 0 0 0 0] # 2\n [1 0 0 0 0 0 0 0 0 0 0 0 0] # 1\n [0 0 1 0 0 0 0 0 0 0 0 0 0] # 2\n [1 0 0 0 0 0 0 0 0 0 0 0 0] # 1\n [0 0 1 0 0 0 0 0 0 0 0 0 0] # 2\n [1 0 0 0 0 0 0 0 0 0 0 0 0] # 1\n [1 0 0 0 0 0 0 0 0 0 0 0 0] # 1\n [1 0 0 0 0 0 0 0 0 0 0 0 0] # 1\n ]\n\n\nFinally, the both ``Group`` and ``Wyckoff_position`` classes support the access of the symmetry element analysis via\n\n.. code-block:: Python\n\n from pyxtal.symmetry import Group\n g = Group(14)\n ss_spg = g.get_spg_symmetry_object()\n print('Space group symmetry table', g.number, g.symbol)\n ss_spg.to_beautiful_matrix_representation()\n\n for wp in g:\n print('\\nWp symmetry table', wp.get_label())\n ss_wp = wp.get_site_symmetry_object()\n ss_wp.to_beautiful_matrix_representation()\n\n::\n\n Space group symmetry table 14 P21/c\n Order Axis 1 -1 2 2_1 m a b c n d 3 3_1 3_2 4 -4 \n 0 ( 0 1 0): 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 \n \n Wp symmetry table 4e\n Order Axis 1 -1 2 m 3 4 -4 Group\n 0 ( 0 1 0): 1 0 0 0 0 0 0 1\n \n Wp symmetry table 2d\n Order Axis 1 -1 2 m 3 4 -4 Group\n 0 ( 0 1 0): 1 1 0 0 0 0 0 -1\n \n Wp symmetry table 2c\n Order Axis 1 -1 2 m 3 4 -4 Group\n 0 ( 0 1 0): 1 1 0 0 0 0 0 -1\n \n Wp symmetry table 2b\n Order Axis 1 -1 2 m 3 4 -4 Group\n 0 ( 0 1 0): 1 1 0 0 0 0 0 -1\n \n Wp symmetry table 2a\n Order Axis 1 -1 2 m 3 4 -4 Group\n 0 ( 0 1 0): 1 1 0 0 0 0 0 -1\n \n\nMore details on the symmetry table can be found in the `documentation `_.\n" }, { "path": "doc/conf.py", "content": "#\n# Configuration file for the Sphinx documentation builder.\n#\n# This file does only contain a selection of the most common options. For a\n# full list see the documentation:\n# http://www.sphinx-doc.org/en/master/config\n\n# -- Path setup --------------------------------------------------------------\n\n# If extensions (or modules to document with autodoc) are in another directory,\n# add these directories to sys.path here. If the directory is relative to the\n# documentation root, use os.path.abspath to make it absolute, like shown here.\n#\nimport os\nimport sys\nfrom unittest.mock import MagicMock\n\nsys.path.insert(0, os.path.abspath(\"../\"))\n# List of modules to mock\nMOCK_MODULES = ['torchani', 'lammps', 'pyshtools', 'mace', 'mace.calculators']\n\nclass Mock(MagicMock):\n @classmethod\n def __getattr__(cls, name):\n return MagicMock()\n\nsys.modules.update((mod_name, Mock()) for mod_name in MOCK_MODULES)\n\n\n# -- Project information -----------------------------------------------------\n\nproject = \"PyXtal\"\ncopyright = \"Since 2018, Qiang Zhu, Scott Fredericks, Kevin Parrish\"\nauthor = \"Qiang Zhu, Scott Fredericks, Kevin Parrish\"\n\n# The short X.Y version\nversion = \"1.1.3\"\n# The full version, including alpha/beta/rc tags\nrelease = \"1.1.3\"\n\n# -- General configuration ---------------------------------------------------\n\n# If your documentation needs a minimal Sphinx version, state it here.\n#\n# needs_sphinx = '1.0'\n\n# Add any Sphinx extension module names here, as strings. They can be\n# extensions coming with Sphinx (named 'sphinx.ext.*') or your custom\n# ones.\nextensions = [\n \"sphinx_rtd_theme\",\n \"sphinx.ext.autodoc\",\n \"sphinx.ext.todo\",\n \"sphinx.ext.coverage\",\n \"sphinx.ext.ifconfig\",\n \"sphinx.ext.viewcode\",\n \"sphinx.ext.githubpages\",\n \"sphinx.ext.napoleon\",\n \"sphinx.ext.autosectionlabel\",\n \"sphinx.ext.mathjax\",\n]\n\n# Add any paths that contain templates here, relative to this directory.\ntemplates_path = [\"_templates\"]\n\n# The suffix(es) of source filenames.\n# You can specify multiple suffix as a list of string:\n#\n# source_suffix = ['.rst', '.md']\nsource_suffix = \".rst\"\n\n# The master toctree document.\nmaster_doc = \"index\"\n\n# The language for content autogenerated by Sphinx. Refer to documentation\n# for a list of supported languages.\n#\n# This is also used if you do content translation via gettext catalogs.\n# Usually you set \"language\" from the command line for these cases.\nlanguage = \"en\"\n\n# List of patterns, relative to source directory, that match files and\n# directories to ignore when looking for source files.\n# This pattern also affects html_static_path and html_extra_path .\nexclude_patterns = [\"_build\", \"Thumbs.db\", \".DS_Store\"]\n\n# The name of the Pygments (syntax highlighting) style to use.\npygments_style = \"sphinx\"\n\n\n# -- Options for HTML output -------------------------------------------------\n\n# The theme to use for HTML and HTML Help pages. See the documentation for\n# a list of builtin themes.\n#\nhtml_theme = \"sphinx_rtd_theme\"\n\n# Theme options are theme-specific and customize the look and feel of a theme\n# further. For a list of options available for each theme, see the\n# documentation.\n#\n# html_theme_options = {}\nhtml_theme_options = {\n \"canonical_url\": \"\",\n \"analytics_id\": \"\",\n \"logo_only\": False,\n \"display_version\": True,\n \"prev_next_buttons_location\": \"bottom\",\n \"style_external_links\": False,\n \"style_nav_header_background\": \"#5BA887\",\n #'style_nav_header_background': '#067BF8',\n \"vcs_pageview_mode\": \"view\",\n # Toc options\n \"collapse_navigation\": False,\n \"sticky_navigation\": False,\n \"navigation_depth\": 4,\n \"includehidden\": True,\n \"titles_only\": False,\n}\nhtml_logo = \"../images/512px_type1.png\"\n\n# Add any paths that contain custom static files (such as style sheets) here,\n# relative to this directory. They are copied after the builtin static files,\n# so a file named \"default.css\" will overwrite the builtin \"default.css\".\nhtml_static_path = [\"_static\"]\n\n# Custom sidebar templates, must be a dictionary that maps document names\n# to template names.\n#\n# The default sidebars (for documents that don't match any pattern) are\n# defined by theme itself. Builtin themes are using these templates by\n# default: ``['localtoc.html', 'relations.html', 'sourcelink.html',\n# 'searchbox.html']``.\n#\nhtml_sidebars = {\"**\": [\"localtoc.html\", \"relations.html\", \"searchbox.html\"]}\n\n\n# -- Options for HTMLHelp output ---------------------------------------------\n\n# Output file base name for HTML help builder.\nhtmlhelp_basename = \"PyXtaldoc\"\n\n\n# -- Options for LaTeX output ------------------------------------------------\n\nlatex_elements = {\n # The paper size ('letterpaper' or 'a4paper').\n #\n # 'papersize': 'letterpaper',\n # The font size ('10pt', '11pt' or '12pt').\n #\n # 'pointsize': '10pt',\n # Additional stuff for the LaTeX preamble.\n #\n # 'preamble': '',\n # Latex figure (float) alignment\n #\n # 'figure_align': 'htbp',\n}\n\n# Grouping the document tree into LaTeX files. List of tuples\n# (source start file, target name, title,\n# author, documentclass [howto, manual, or own class]).\nlatex_documents = [\n (\n master_doc,\n \"PyXtal.tex\",\n \"PyXtal Documentation\",\n \"Qiang Zhu, Scott Fredericks\",\n \"manual\",\n ),\n]\n\n# The name of an image file (relative to this directory) to place at the top of\n# the title page.\nlatex_logo = \"../images/512px_type1.png\"\n\n# -- Options for manual page output ------------------------------------------\n\n# One entry per manual page. List of tuples\n# (source start file, name, description, authors, manual section).\nman_pages = [(master_doc, \"pyxtal\", \"PyXtal Documentation\", [author], 1)]\n\n\n# -- Options for Texinfo output ----------------------------------------------\n\n# Grouping the document tree into Texinfo files. List of tuples\n# (source start file, target name, title, author,\n# dir menu entry, description, category)\ntexinfo_documents = [\n (\n master_doc,\n \"PyXtal\",\n \"PyXtal Documentation\",\n author,\n \"PyXtal\",\n \"One line description of project.\",\n \"Miscellaneous\",\n ),\n]\n\n\n# -- Extension configuration -------------------------------------------------\n" }, { "path": "doc/files/all.cif", "content": "\r\n#######################################################################\r\n#\r\n# Cambridge Crystallographic Data Centre\r\n# CCDC\r\n#\r\n#######################################################################\r\n#\r\n# If this CIF has been generated from an entry in the Cambridge\r\n# Structural Database, then it will include bibliographic, chemical,\r\n# crystal, experimental, refinement or atomic coordinate data resulting\r\n# from the CCDC's data processing and validation procedures.\r\n#\r\n#######################################################################\r\n\r\ndata_CSD_CIF_HAHCOI\r\n_audit_creation_date 1994-03-15\r\n_audit_creation_method CSD-ConQuest-V1\r\n_database_code_CSD HAHCOI\r\n_database_code_depnum_ccdc_archive 'CCDC 1171543'\r\n_chemical_formula_sum 'C12 H6 S2'\r\n_chemical_formula_moiety\r\n;\r\nC12 H6 S2\r\n;\r\n_journal_coden_Cambridge 241\r\n_journal_year 1993\r\n_journal_page_first 365\r\n_journal_name_full 'Chem.Lett. '\r\nloop_\r\n_publ_author_name\r\n\"K.Takimiya\"\r\n\"F.Yashiki\"\r\n\"Y.Aso\"\r\n\"T.Otsubo\"\r\n\"F.Ogura\"\r\n_chemical_name_systematic\r\n;\r\nNaphtho(1,8-bc:4,5-b'c')dithiophene\r\n;\r\n_chemical_melting_point 460.15\r\n_cell_volume 453.272\r\n_exptl_crystal_colour 'orange'\r\n_exptl_crystal_density_diffrn 1.571\r\n_exptl_special_details\r\n;\r\nMelts with decomposition.\r\n\r\n;\r\n_exptl_crystal_description 'needle'\r\n_exptl_crystal_preparation 'chloroform/hexane'\r\n_diffrn_ambient_temperature ?\r\n_diffrn_special_details\r\n;\r\nThe study was carried out at room temperature,in the range 283-303K\r\n\r\n;\r\n#These two values have been output from a single CSD field.\r\n_refine_ls_R_factor_gt 0.042\r\n_refine_ls_wR_factor_gt 0.042\r\n_symmetry_cell_setting monoclinic\r\n_symmetry_space_group_name_H-M 'P 21'\r\n_symmetry_Int_Tables_number 4\r\nloop_\r\n_symmetry_equiv_pos_site_id\r\n_symmetry_equiv_pos_as_xyz\r\n1 x,y,z\r\n2 -x,1/2+y,-z\r\n_cell_length_a 7.837(1)\r\n_cell_length_b 4.128\r\n_cell_length_c 14.035(4)\r\n_cell_angle_alpha 90\r\n_cell_angle_beta 93.35(6)\r\n_cell_angle_gamma 90\r\n_cell_formula_units_Z 2\r\nloop_\r\n_atom_type_symbol\r\n_atom_type_radius_bond\r\nC 0.68\r\nH 0.23\r\nS 1.02\r\nloop_\r\n_atom_site_label\r\n_atom_site_type_symbol\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\nS1 S 0.66465(11) 0.58211 0.94070(2)\r\nC1 C 0.80971(47) 0.3893(12) 0.87202(25)\r\nC2 C 0.98442(49) 0.3110(14) 0.88645(28)\r\nC3 C 1.06631(50) 0.1400(14) 0.81872(28)\r\nC4 C 0.97754(46) 0.0477(13) 0.73275(25)\r\nS2 S 1.03698(13) -0.16588(44) 0.63204(7)\r\nC5 C 0.83589(52) -0.1341(17) 0.57602(26)\r\nC6 C 0.72107(50) 0.0292(13) 0.6313(1)\r\nC7 C 0.54110(53) 0.1138(16) 0.61855(28)\r\nC8 C 0.46019(52) 0.2818(13) 0.68467(29)\r\nC9 C 0.54744(43) 0.3822(13) 0.77512(25)\r\nC10 C 0.49757(47) 0.5459(15) 0.85512(29)\r\nC11 C 0.72390(44) 0.2979(13) 0.78703(25)\r\nC12 C 0.80575(46) 0.1256(13) 0.71884(25)\r\nH1 H 1.03710 0.38557 0.93674\r\nH2 H 1.17610 0.09162 0.82903\r\nH3 H 0.81570 -0.23800 0.52034\r\nH4 H 0.49091 0.04585 0.56568\r\nH5 H 0.35434 0.32937 0.66847\r\nH6 H 0.42053 0.59755 0.86131\r\n#END\r\n####################################################################### \r\n# \r\n# This file contains crystal structure data downloaded from the \r\n# Cambridge Structural Database (CSD) hosted by the Cambridge \r\n# Crystallographic Data Centre (CCDC).\r\n# \r\n# Full information about CCDC data access policies and citation \r\n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \r\n# \r\n# Audit and citation data items may have been added by the CCDC. \r\n# Please retain this information to preserve the provenance of \r\n# this file and to allow appropriate attribution of the data. \r\n# \r\n#######################################################################\r\n\r\ndata_final6_new_labels\r\n_audit_block_doi 10.5517/cc8jpzf\r\n_database_code_depnum_ccdc_archive 'CCDC 254385'\r\nloop_\r\n_citation_id\r\n_citation_doi\r\n_citation_year\r\n1 10.1021/jo048010w 2005\r\n_audit_update_record \r\n;\r\n2004-11-01 deposited with the CCDC.\t2020-08-10 downloaded from the CCDC.\r\n;\r\n\r\n_audit_creation_method SHELXL-97\r\n_chemical_name_systematic \r\n;\r\nThieno[2,3-f:5,4-f']bis[1]benzothiophene\r\n;\r\n_chemical_name_common Thieno(2,3-f:5,4-f')bis(1)benzothiophene\r\n_chemical_melting_point '237-238 C'\r\n_chemical_formula_moiety 'C16 H8 S3'\r\n_chemical_formula_sum 'C16 H8 S3'\r\n_chemical_formula_weight 296.40\r\n\r\nloop_\r\n_atom_type_symbol\r\n_atom_type_description\r\n_atom_type_scat_dispersion_real\r\n_atom_type_scat_dispersion_imag\r\n_atom_type_scat_source\r\nC C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nH H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nS S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\n\r\n_symmetry_cell_setting orthorhombic\r\n_symmetry_space_group_name_H-M Pmn2(1)\r\n\r\nloop_\r\n_symmetry_equiv_pos_as_xyz\r\n'x, y, z'\r\n'-x+1/2, -y, z+1/2'\r\n'x+1/2, -y, z+1/2'\r\n'-x, y, z'\r\n\r\n_cell_length_a 25.6814(5)\r\n_cell_length_b 6.0774(1)\r\n_cell_length_c 3.8911(1)\r\n_cell_angle_alpha 90.00\r\n_cell_angle_beta 90.00\r\n_cell_angle_gamma 90.00\r\n_cell_volume 607.31(2)\r\n_cell_formula_units_Z 2\r\n_cell_measurement_temperature 120(1)\r\n_cell_measurement_reflns_used 6077\r\n_cell_measurement_theta_min 3.15\r\n_cell_measurement_theta_max 35.2\r\n\r\n_exptl_crystal_description plate\r\n_exptl_crystal_colour 'pale yellow'\r\n_exptl_crystal_size_max 0.30\r\n_exptl_crystal_size_mid 0.20\r\n_exptl_crystal_size_min 0.08\r\n_exptl_crystal_density_meas ?\r\n_exptl_crystal_density_diffrn 1.621\r\n_exptl_crystal_density_method 'not measured'\r\n_exptl_crystal_F_000 304\r\n_exptl_absorpt_coefficient_mu 0.588\r\n_exptl_absorpt_correction_type multi-scan\r\n_exptl_absorpt_correction_T_min 0.79\r\n_exptl_absorpt_correction_T_max 1.00\r\n_exptl_absorpt_process_details \r\nSADABS;Sheldrick1996;Blessing,ActaC.1995,A51,33\r\n\r\n\r\n_exptl_special_details \r\n;\r\n?\r\n;\r\n\r\n_diffrn_ambient_temperature 120(1)\r\n_diffrn_radiation_wavelength 0.71073\r\n_diffrn_radiation_type MoK\\a\r\n_diffrn_radiation_source 'fine-focus sealed tube'\r\n_diffrn_radiation_monochromator graphite\r\n_diffrn_measurement_device_type 'Bruker Smart6000'\r\n_diffrn_measurement_method 'omega scans'\r\n_diffrn_detector_area_resol_mean ?\r\n_diffrn_standards_number n.a.\r\n_diffrn_standards_interval_count n.a.\r\n_diffrn_standards_interval_time n.a.\r\n_diffrn_standards_decay_% ?\r\n_diffrn_reflns_number 3308\r\n_diffrn_reflns_av_R_equivalents 0.0177\r\n_diffrn_reflns_av_sigmaI/netI 0.0259\r\n_diffrn_reflns_limit_h_min -40\r\n_diffrn_reflns_limit_h_max 39\r\n_diffrn_reflns_limit_k_min -8\r\n_diffrn_reflns_limit_k_max 8\r\n_diffrn_reflns_limit_l_min -1\r\n_diffrn_reflns_limit_l_max 6\r\n_diffrn_reflns_theta_min 3.17\r\n_diffrn_reflns_theta_max 35.17\r\n_reflns_number_total 1418\r\n_reflns_number_gt 1372\r\n_reflns_threshold_expression >2sigma(I)\r\n\r\n_computing_data_collection 'SMART V.5.630'\r\n_computing_cell_refinement 'SAINT V6.45A'\r\n_computing_data_reduction 'SAINT V6.45A'\r\n_computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)'\r\n_computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)'\r\n_computing_molecular_graphics 'Diamond 2.1e'\r\n_computing_publication_material ?\r\n\r\n_refine_special_details \r\n;\r\nRefinement of F^2^ against ALL reflections. The weighted R-factor wR and\r\ngoodness of fit S are based on F^2^, conventional R-factors R are based\r\non F, with F set to zero for negative F^2^. The threshold expression of\r\nF^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is\r\nnot relevant to the choice of reflections for refinement. R-factors based\r\non F^2^ are statistically about twice as large as those based on F, and R-\r\nfactors based on ALL data will be even larger.\r\n;\r\n\r\n_refine_ls_structure_factor_coef Fsqd\r\n_refine_ls_matrix_type full\r\n_refine_ls_weighting_scheme calc\r\n_refine_ls_weighting_details \r\n'calc w=1/[\\s^2^(Fo^2^)+(0.0341P)^2^+0.1744P] where P=(Fo^2^+2Fc^2^)/3'\r\n_atom_sites_solution_primary direct\r\n_atom_sites_solution_secondary difmap\r\n_atom_sites_solution_hydrogens difmap\r\n_refine_ls_hydrogen_treatment refall\r\n_refine_ls_extinction_method none\r\n_refine_ls_extinction_coef ?\r\n_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'\r\n_refine_ls_abs_structure_Flack 0.18(17)\r\n_refine_ls_number_reflns 1418\r\n_refine_ls_number_parameters 105\r\n_refine_ls_number_restraints 1\r\n_refine_ls_R_factor_all 0.0276\r\n_refine_ls_R_factor_gt 0.0263\r\n_refine_ls_wR_factor_ref 0.0694\r\n_refine_ls_wR_factor_gt 0.0687\r\n_refine_ls_goodness_of_fit_ref 1.102\r\n_refine_ls_restrained_S_all 1.101\r\n_refine_ls_shift/su_max 0.001\r\n_refine_ls_shift/su_mean 0.000\r\n\r\nloop_\r\n_atom_site_label\r\n_atom_site_type_symbol\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_U_iso_or_equiv\r\n_atom_site_adp_type\r\n_atom_site_occupancy\r\n_atom_site_symmetry_multiplicity\r\n_atom_site_calc_flag\r\n_atom_site_refinement_flags\r\n_atom_site_disorder_assembly\r\n_atom_site_disorder_group\r\nS(1) S 0.165156(12) 1.50690(6) -0.36925(18) 0.01495(9) Uani 1 1 d . . .\r\nS(2) S 0.0000 0.84417(8) 0.18015(16) 0.01419(11) Uani 1 2 d S . .\r\nC(1) C 0.21178(6) 1.3118(3) -0.2611(5) 0.0175(3) Uani 1 1 d . . .\r\nH(1) H 0.2473(10) 1.338(4) -0.332(9) 0.033(6) Uiso 1 1 d . . .\r\nC(2) C 0.19166(6) 1.1295(3) -0.1125(5) 0.0163(3) Uani 1 1 d . . .\r\nH(2) H 0.2100(9) 1.013(3) -0.031(8) 0.020(6) Uiso 1 1 d . . .\r\nC(3) C 0.13563(6) 1.1384(3) -0.0826(5) 0.0139(3) Uani 1 1 d . . .\r\nC(4) C 0.10180(6) 0.9796(3) 0.0519(5) 0.0148(3) Uani 1 1 d . . .\r\nH(4) H 0.1145(8) 0.841(4) 0.146(9) 0.024(6) Uiso 1 1 d . . .\r\nC(5) C 0.04882(6) 1.0238(2) 0.0393(5) 0.0128(3) Uani 1 1 d . . .\r\nC(6) C 0.02834(5) 1.2209(2) -0.1017(5) 0.0122(2) Uani 1 1 d . . .\r\nC(7) C 0.06201(5) 1.3813(3) -0.2291(5) 0.0130(3) Uani 1 1 d . . .\r\nH(7) H 0.0483(8) 1.517(3) -0.307(8) 0.014(6) Uiso 1 1 d . . .\r\nC(8) C 0.11539(6) 1.3383(2) -0.2170(5) 0.0131(3) Uani 1 1 d . . .\r\n\r\nloop_\r\n_atom_site_aniso_label\r\n_atom_site_aniso_U_11\r\n_atom_site_aniso_U_22\r\n_atom_site_aniso_U_33\r\n_atom_site_aniso_U_23\r\n_atom_site_aniso_U_13\r\n_atom_site_aniso_U_12\r\nS(1) 0.01175(14) 0.01439(17) 0.01872(16) 0.00094(13) 0.00075(14) -0.00023(10)\r\nS(2) 0.01510(19) 0.0111(2) 0.0163(2) 0.0030(2) 0.000 0.000\r\nC(1) 0.0122(5) 0.0193(7) 0.0210(8) -0.0020(6) -0.0001(5) 0.0015(5)\r\nC(2) 0.0125(6) 0.0168(7) 0.0197(7) -0.0004(6) -0.0016(5) 0.0028(5)\r\nC(3) 0.0130(5) 0.0132(6) 0.0156(6) -0.0011(6) -0.0015(5) 0.0019(5)\r\nC(4) 0.0152(6) 0.0127(7) 0.0163(7) 0.0008(5) -0.0010(5) 0.0022(5)\r\nC(5) 0.0143(6) 0.0104(6) 0.0136(6) 0.0005(5) -0.0003(5) 0.0002(4)\r\nC(6) 0.0118(5) 0.0114(6) 0.0133(6) 0.0005(5) -0.0002(5) 0.0003(4)\r\nC(7) 0.0111(5) 0.0115(6) 0.0164(6) 0.0009(5) -0.0002(5) 0.0005(4)\r\nC(8) 0.0123(5) 0.0117(7) 0.0151(6) 0.0001(5) -0.0001(5) 0.0006(4)\r\n\r\n_geom_special_details \r\n;\r\nAll esds (except the esd in the dihedral angle between two l.s. planes)\r\nare estimated using the full covariance matrix. The cell esds are taken\r\ninto account individually in the estimation of esds in distances, angles\r\nand torsion angles; correlations between esds in cell parameters are only\r\nused when they are defined by crystal symmetry. An approximate (isotropic)\r\ntreatment of cell esds is used for estimating esds involving l.s. planes.\r\n;\r\n\r\nloop_\r\n_geom_bond_atom_site_label_1\r\n_geom_bond_atom_site_label_2\r\n_geom_bond_distance\r\n_geom_bond_site_symmetry_2\r\n_geom_bond_publ_flag\r\nS(1) C(1) 1.7368(16) . ?\r\nS(1) C(8) 1.7418(16) . ?\r\nS(2) C(5) 1.7506(16) . ?\r\nS(2) C(5) 1.7506(16) 4 ?\r\nC(1) C(2) 1.352(2) . ?\r\nC(1) H(1) 0.97(3) . ?\r\nC(2) C(3) 1.444(2) . ?\r\nC(2) H(2) 0.91(2) . ?\r\nC(3) C(4) 1.400(2) . ?\r\nC(3) C(8) 1.421(2) . ?\r\nC(4) C(5) 1.388(2) . ?\r\nC(4) H(4) 0.97(2) . ?\r\nC(5) C(6) 1.419(2) . ?\r\nC(6) C(7) 1.394(2) . ?\r\nC(6) C(6) 1.456(3) 4 ?\r\nC(7) C(8) 1.396(2) . ?\r\nC(7) H(7) 0.94(2) . ?\r\n\r\nloop_\r\n_geom_angle_atom_site_label_1\r\n_geom_angle_atom_site_label_2\r\n_geom_angle_atom_site_label_3\r\n_geom_angle\r\n_geom_angle_site_symmetry_1\r\n_geom_angle_site_symmetry_3\r\n_geom_angle_publ_flag\r\nC(1) S(1) C(8) 91.25(8) . . ?\r\nC(5) S(2) C(5) 91.48(10) . 4 ?\r\nC(2) C(1) S(1) 113.54(11) . . ?\r\nC(2) C(1) H(1) 128.3(16) . . ?\r\nS(1) C(1) H(1) 117.8(16) . . ?\r\nC(1) C(2) C(3) 112.62(14) . . ?\r\nC(1) C(2) H(2) 126.2(15) . . ?\r\nC(3) C(2) H(2) 121.1(15) . . ?\r\nC(4) C(3) C(8) 119.99(13) . . ?\r\nC(4) C(3) C(2) 128.51(14) . . ?\r\nC(8) C(3) C(2) 111.49(14) . . ?\r\nC(5) C(4) C(3) 117.49(14) . . ?\r\nC(5) C(4) H(4) 120.6(13) . . ?\r\nC(3) C(4) H(4) 121.9(13) . . ?\r\nC(4) C(5) C(6) 122.74(14) . . ?\r\nC(4) C(5) S(2) 124.77(12) . . ?\r\nC(6) C(5) S(2) 112.47(11) . . ?\r\nC(7) C(6) C(5) 119.86(13) . . ?\r\nC(7) C(6) C(6) 128.34(8) . 4 ?\r\nC(5) C(6) C(6) 111.76(8) . 4 ?\r\nC(6) C(7) C(8) 117.79(14) . . ?\r\nC(6) C(7) H(7) 119.4(13) . . ?\r\nC(8) C(7) H(7) 122.7(13) . . ?\r\nC(7) C(8) C(3) 122.10(14) . . ?\r\nC(7) C(8) S(1) 126.78(12) . . ?\r\nC(3) C(8) S(1) 111.08(11) . . ?\r\n\r\n_diffrn_measured_fraction_theta_max 0.865\r\n_diffrn_reflns_theta_full 35.17\r\n_diffrn_measured_fraction_theta_full 0.865\r\n_refine_diff_density_max 0.514\r\n_refine_diff_density_min -0.281\r\n_refine_diff_density_rms 0.064\r\n\r\n\r\n\r\n####################################################################### \r\n# \r\n# This file contains crystal structure data downloaded from the \r\n# Cambridge Structural Database (CSD) hosted by the Cambridge \r\n# Crystallographic Data Centre (CCDC).\r\n# \r\n# Full information about CCDC data access policies and citation \r\n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \r\n# \r\n# Audit and citation data items may have been added by the CCDC. \r\n# Please retain this information to preserve the provenance of \r\n# this file and to allow appropriate attribution of the data. \r\n# \r\n#######################################################################\r\n\r\ndata_III\r\n_audit_block_doi 10.5517/cc1krrbd\r\n_database_code_depnum_ccdc_archive 'CCDC 1452794'\r\nloop_\r\n_citation_id\r\n_citation_doi\r\n_citation_year\r\n1 10.1107/S2056989016002516 2016\r\n_audit_update_record \r\n;\r\n2016-02-10 deposited with the CCDC.\t2020-08-10 downloaded from the CCDC.\r\n;\r\n_publcif_datablock.id {e36841c8-0f44-4f8c-8b4e-16409682ab03}\r\n\r\n# clave Lab: Bis-Iminas IV-R\r\n# clave original: bimivr (ICUAP)\r\n# clave refinamiento: BIM-IV-R_MO (IFUAP)\r\n\r\n_database_code_CAS ?\r\n_database_code_CSD ?\r\n\r\n_audit_creation_method SHELXL-2014/7\r\n_shelx_SHELXL_version_number 2014/7\r\n_audit_creation_date 2016-01-07\r\n\r\n_chemical_name_systematic \r\n;\r\n2,5-Bis[((R)-(-)-(4-fluoro)phenylethyl)iminomethyl]thiophene\r\n;\r\n_chemical_name_common ?\r\n_chemical_melting_point 420\r\n_chemical_formula_moiety 'C22 H20 F2 N2 S'\r\n_chemical_formula_sum 'C22 H20 F2 N2 S'\r\n_chemical_formula_weight 382.46\r\n_chemical_compound_source ?\r\n_chemical_absolute_configuration ad\r\n\r\n_chemical_optical_rotation '[\\a]^20^~D~ = -542.5 (c=1, CHCl~3~)'\r\n\r\n_chemical_properties_physical ?\r\n_chemical_properties_biological ?\r\nloop_\r\n_atom_type_symbol\r\n_atom_type_description\r\n_atom_type_scat_dispersion_real\r\n_atom_type_scat_dispersion_imag\r\n_atom_type_scat_source\r\nC C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nH H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nF F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nN N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nS S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\n\r\n_space_group_crystal_system orthorhombic\r\n_space_group_IT_number 18\r\n_space_group_name_H-M_alt 'P 21 21 2'\r\n_space_group_name_Hall 'P 2 2ab'\r\n\r\n_shelx_space_group_comment ?\r\n\r\nloop_\r\n_space_group_symop_operation_xyz\r\n'x, y, z'\r\n'-x, -y, z'\r\n'x+1/2, -y+1/2, -z'\r\n'-x+1/2, y+1/2, -z'\r\n\r\n_cell_length_a 21.1153(16)\r\n_cell_length_b 7.7846(6)\r\n_cell_length_c 6.1343(5)\r\n_cell_angle_alpha 90\r\n_cell_angle_beta 90\r\n_cell_angle_gamma 90\r\n_cell_volume 1008.32(14)\r\n_cell_formula_units_Z 2\r\n_cell_measurement_temperature 298(2)\r\n_cell_measurement_reflns_used 2744\r\n_cell_measurement_theta_max 23.1870\r\n_cell_measurement_theta_min 3.8190\r\n\r\n_exptl_crystal_description prism\r\n_exptl_crystal_colour colourless\r\n_exptl_crystal_density_meas ?\r\n_exptl_crystal_density_method ?\r\n_exptl_crystal_density_diffrn 1.260\r\n_exptl_crystal_F_000 400\r\n_exptl_transmission_factor_min ?\r\n_exptl_transmission_factor_max ?\r\n_exptl_crystal_size_max 0.8923\r\n_exptl_crystal_size_mid 0.4743\r\n_exptl_crystal_size_min 0.3253\r\n_exptl_absorpt_coefficient_mu 0.186\r\n_shelx_estimated_absorpt_T_min ?\r\n_shelx_estimated_absorpt_T_max ?\r\n_exptl_absorpt_correction_type analytical\r\n_exptl_absorpt_correction_T_min 0.904\r\n_exptl_absorpt_correction_T_max 0.958\r\n_exptl_absorpt_process_details 'CrysAlisPro, (Agilent, 2013)'\r\n\r\n_diffrn_ambient_temperature 298(2)\r\n_diffrn_ambient_environment air\r\n_diffrn_radiation_wavelength 0.71073\r\n_diffrn_radiation_type MoK\\a\r\n_diffrn_source 'Enhance (Mo) X-ray Source'\r\n_diffrn_radiation_probe x-ray\r\n_diffrn_radiation_monochromator graphite\r\n_diffrn_measurement_device 'four-circle diffractometer'\r\n_diffrn_measurement_device_type 'Agilent Xcalibur (Atlas, Gemini)'\r\n_diffrn_detector 'CCD plate'\r\n_diffrn_detector_type Atlas\r\n_diffrn_measurement_method '\\w scans'\r\n_diffrn_detector_area_resol_mean 10.5564\r\n_diffrn_reflns_number 12336\r\n_diffrn_reflns_av_unetI/netI 0.0421\r\n_diffrn_reflns_av_R_equivalents 0.0578\r\n_diffrn_reflns_limit_h_min -26\r\n_diffrn_reflns_limit_h_max 26\r\n_diffrn_reflns_limit_k_min -9\r\n_diffrn_reflns_limit_k_max 9\r\n_diffrn_reflns_limit_l_min -7\r\n_diffrn_reflns_limit_l_max 7\r\n_diffrn_reflns_theta_min 3.842\r\n_diffrn_reflns_theta_max 26.368\r\n_diffrn_reflns_theta_full 25.242\r\n_diffrn_measured_fraction_theta_max 0.996\r\n_diffrn_measured_fraction_theta_full 0.995\r\n_diffrn_reflns_Laue_measured_fraction_max 0.996\r\n_diffrn_reflns_Laue_measured_fraction_full 0.995\r\n_diffrn_reflns_point_group_measured_fraction_max 0.998\r\n_diffrn_reflns_point_group_measured_fraction_full 0.997\r\n\r\n_diffrn_orient_matrix_UB_11 -0.0295565000\r\n_diffrn_orient_matrix_UB_12 0.0379686000\r\n_diffrn_orient_matrix_UB_13 0.0263684000\r\n_diffrn_orient_matrix_UB_21 0.0141479000\r\n_diffrn_orient_matrix_UB_22 0.0825776000\r\n_diffrn_orient_matrix_UB_23 -0.0037781000\r\n_diffrn_orient_matrix_UB_31 -0.0073881000\r\n_diffrn_orient_matrix_UB_32 0.0061226000\r\n_diffrn_orient_matrix_UB_33 -0.1125503000\r\n\r\n_diffrn_measurement_details \r\n;\r\n#__ type_ start__ end____ width___ exp.time_\r\n 1 omega -60.00 -14.00 1.0000 1.0000\r\nomega____ theta____ kappa____ phi______ frames\r\n - -11.2235 -57.0000 -150.0000 46\r\n\r\n#__ type_ start__ end____ width___ exp.time_\r\n 2 omega -1.00 80.00 1.0000 1.0000\r\nomega____ theta____ kappa____ phi______ frames\r\n - 13.2548 38.0000 -180.0000 81\r\n\r\n#__ type_ start__ end____ width___ exp.time_\r\n 3 omega -100.00 -53.00 1.0000 1.0000\r\nomega____ theta____ kappa____ phi______ frames\r\n - -11.2235 178.0000 -120.0000 47\r\n\r\n#__ type_ start__ end____ width___ exp.time_\r\n 4 omega -90.00 22.00 1.0000 1.0000\r\nomega____ theta____ kappa____ phi______ frames\r\n - -11.2235 -77.0000 -30.0000 112\r\n\r\n#__ type_ start__ end____ width___ exp.time_\r\n 5 omega -25.00 55.00 1.0000 1.0000\r\nomega____ theta____ kappa____ phi______ frames\r\n - 13.2548 -99.0000 -120.0000 80\r\n\r\n#__ type_ start__ end____ width___ exp.time_\r\n 6 omega -63.00 1.00 1.0000 1.0000\r\nomega____ theta____ kappa____ phi______ frames\r\n - 13.2548 -38.0000 0.0000 64\r\n\r\n#__ type_ start__ end____ width___ exp.time_\r\n 7 omega -25.00 55.00 1.0000 1.0000\r\nomega____ theta____ kappa____ phi______ frames\r\n - 13.2548 -99.0000 150.0000 80\r\n;\r\n\r\n_reflns_number_total 2067\r\n_reflns_number_gt 1591\r\n_reflns_threshold_expression 'I > 2\\s(I)'\r\n_reflns_Friedel_coverage 0.678\r\n_reflns_Friedel_fraction_max 1.000\r\n_reflns_Friedel_fraction_full 1.000\r\n\r\n_reflns_special_details ?\r\n\r\n_computing_data_collection 'CrysAlis PRO (Agilent, 2013)'\r\n_computing_cell_refinement 'CrysAlis PRO'\r\n_computing_data_reduction 'CrysAlis PRO'\r\n_computing_structure_solution 'SHELXS-2014/7 (Sheldrick, 2015)'\r\n_computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2015)'\r\n_computing_molecular_graphics 'MERCURY (Macrae et al., 2008)'\r\n_computing_publication_material SHELXL-2014/7\r\n\r\n_refine_special_details ?\r\n\r\n_refine_ls_structure_factor_coef Fsqd\r\n_refine_ls_matrix_type full\r\n_refine_ls_weighting_scheme calc\r\n_refine_ls_weighting_details \r\n'w=1/[\\s^2^(Fo^2^)+(0.0384P)^2^+0.0613P] where P=(Fo^2^+2Fc^2^)/3'\r\n_atom_sites_solution_primary direct\r\n_atom_sites_solution_secondary difmap\r\n_atom_sites_solution_hydrogens geom\r\n_refine_ls_hydrogen_treatment constr\r\n_refine_ls_extinction_method none\r\n_refine_ls_extinction_coef .\r\n_refine_ls_abs_structure_details \r\n;\r\n Flack x determined using 518 quotients [(I+)-(I-)]/[(I+)+(I-)]\r\n (Parsons et al., 2013).\r\n;\r\n_refine_ls_abs_structure_Flack 0.07(6)\r\n_refine_ls_number_reflns 2067\r\n_refine_ls_number_parameters 124\r\n_refine_ls_number_restraints 0\r\n_refine_ls_R_factor_all 0.0704\r\n_refine_ls_R_factor_gt 0.0439\r\n_refine_ls_wR_factor_ref 0.0918\r\n_refine_ls_wR_factor_gt 0.0820\r\n_refine_ls_goodness_of_fit_ref 1.061\r\n_refine_ls_restrained_S_all 1.061\r\n_refine_ls_shift/su_max 0.000\r\n_refine_ls_shift/su_mean 0.000\r\n\r\nloop_\r\n_atom_site_label\r\n_atom_site_type_symbol\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_U_iso_or_equiv\r\n_atom_site_adp_type\r\n_atom_site_occupancy\r\n_atom_site_site_symmetry_order\r\n_atom_site_calc_flag\r\n_atom_site_refinement_flags_posn\r\n_atom_site_refinement_flags_adp\r\n_atom_site_refinement_flags_occupancy\r\n_atom_site_disorder_assembly\r\n_atom_site_disorder_group\r\nS1 S 0.5000 0.0000 1.06817(15) 0.0479(3) Uani 1 2 d S T P . .\r\nF1 F 0.85802(10) 0.3203(3) 0.5731(5) 0.1163(9) Uani 1 1 d . . . . .\r\nN1 N 0.58698(11) 0.3119(3) 1.0120(4) 0.0498(6) Uani 1 1 d . . . . .\r\nC2 C 0.56853(13) 0.2830(4) 1.2046(5) 0.0479(8) Uani 1 1 d . . . . .\r\nH2A H 0.5795 0.3610 1.3130 0.057 Uiso 1 1 calc R U . . .\r\nC3 C 0.53102(13) 0.1344(4) 1.2646(4) 0.0461(8) Uani 1 1 d . . . . .\r\nC4 C 0.51751(14) 0.0774(4) 1.4690(4) 0.0556(8) Uani 1 1 d . . . . .\r\nH4A H 0.5300 0.1342 1.5953 0.067 Uiso 1 1 calc R U . . .\r\nC5 C 0.62513(14) 0.4679(4) 0.9770(5) 0.0568(8) Uani 1 1 d . . . . .\r\nH5A H 0.6336 0.5216 1.1185 0.068 Uiso 1 1 calc R U . . .\r\nC6 C 0.58661(16) 0.5931(5) 0.8368(7) 0.0829(12) Uani 1 1 d . . . . .\r\nH6A H 0.5476 0.6200 0.9094 0.124 Uiso 1 1 calc R U . . .\r\nH6B H 0.5777 0.5412 0.6983 0.124 Uiso 1 1 calc R U . . .\r\nH6C H 0.6105 0.6967 0.8149 0.124 Uiso 1 1 calc R U . . .\r\nC7 C 0.68777(14) 0.4223(3) 0.8702(5) 0.0462(7) Uani 1 1 d . . . . .\r\nC8 C 0.74419(15) 0.4799(4) 0.9563(5) 0.0577(8) Uani 1 1 d . . . . .\r\nH8A H 0.7436 0.5427 1.0852 0.069 Uiso 1 1 calc R U . . .\r\nC9 C 0.80144(15) 0.4470(4) 0.8567(7) 0.0697(10) Uani 1 1 d . . . . .\r\nH9A H 0.8391 0.4873 0.9163 0.084 Uiso 1 1 calc R U . . .\r\nC10 C 0.80134(17) 0.3551(5) 0.6707(7) 0.0689(10) Uani 1 1 d . . . . .\r\nC11 C 0.74733(18) 0.2932(4) 0.5777(5) 0.0654(9) Uani 1 1 d . . . . .\r\nH11A H 0.7489 0.2301 0.4491 0.078 Uiso 1 1 calc R U . . .\r\nC12 C 0.69042(15) 0.3265(4) 0.6789(5) 0.0543(8) Uani 1 1 d . . . . .\r\nH12A H 0.6532 0.2843 0.6184 0.065 Uiso 1 1 calc R U . . .\r\n\r\nloop_\r\n_atom_site_aniso_label\r\n_atom_site_aniso_U_11\r\n_atom_site_aniso_U_22\r\n_atom_site_aniso_U_33\r\n_atom_site_aniso_U_23\r\n_atom_site_aniso_U_13\r\n_atom_site_aniso_U_12\r\nS1 0.0499(6) 0.0559(6) 0.0379(5) 0.000 0.000 -0.0056(6)\r\nF1 0.0687(14) 0.1167(19) 0.164(2) -0.030(2) 0.0485(15) -0.0047(14)\r\nN1 0.0452(14) 0.0502(15) 0.0540(16) -0.0028(11) 0.0032(11) -0.0082(12)\r\nC2 0.0405(16) 0.054(2) 0.0489(18) -0.0073(16) -0.0043(14) -0.0028(15)\r\nC3 0.0388(15) 0.0544(19) 0.0452(17) -0.0024(14) -0.0013(13) -0.0011(15)\r\nC4 0.056(2) 0.071(2) 0.0396(15) -0.0040(14) -0.0020(13) -0.0115(15)\r\nC5 0.0545(18) 0.0513(19) 0.0647(18) -0.0111(16) 0.0112(15) -0.0104(16)\r\nC6 0.065(2) 0.060(2) 0.123(3) 0.016(2) 0.023(2) 0.0111(19)\r\nC7 0.0468(17) 0.0403(15) 0.0514(17) 0.0001(13) 0.0002(14) -0.0063(14)\r\nC8 0.0576(19) 0.0492(17) 0.0662(19) -0.0104(18) 0.0002(16) -0.0090(17)\r\nC9 0.047(2) 0.064(2) 0.099(3) -0.007(2) -0.0023(19) -0.0114(17)\r\nC10 0.054(2) 0.058(2) 0.095(3) 0.001(2) 0.021(2) -0.0009(18)\r\nC11 0.075(2) 0.063(2) 0.0577(19) -0.0053(18) 0.011(2) 0.000(2)\r\nC12 0.0499(18) 0.0573(19) 0.0557(18) -0.0020(16) -0.0063(16) -0.0058(17)\r\n\r\n_geom_special_details ?\r\n\r\nloop_\r\n_geom_bond_atom_site_label_1\r\n_geom_bond_atom_site_label_2\r\n_geom_bond_distance\r\n_geom_bond_site_symmetry_2\r\n_geom_bond_publ_flag\r\nS1 C3 1.725(3) 2_655 ?\r\nS1 C3 1.725(3) . ?\r\nF1 C10 1.365(4) . ?\r\nN1 C2 1.264(4) . ?\r\nN1 C5 1.473(4) . ?\r\nC2 C3 1.450(4) . ?\r\nC2 H2A 0.9300 . ?\r\nC3 C4 1.360(4) . ?\r\nC4 C4 1.414(6) 2_655 ?\r\nC4 H4A 0.9300 . ?\r\nC5 C7 1.518(4) . ?\r\nC5 C6 1.533(5) . ?\r\nC5 H5A 0.9800 . ?\r\nC6 H6A 0.9600 . ?\r\nC6 H6B 0.9600 . ?\r\nC6 H6C 0.9600 . ?\r\nC7 C8 1.378(4) . ?\r\nC7 C12 1.392(4) . ?\r\nC8 C9 1.378(4) . ?\r\nC8 H8A 0.9300 . ?\r\nC9 C10 1.347(5) . ?\r\nC9 H9A 0.9300 . ?\r\nC10 C11 1.363(5) . ?\r\nC11 C12 1.377(4) . ?\r\nC11 H11A 0.9300 . ?\r\nC12 H12A 0.9300 . ?\r\n\r\nloop_\r\n_geom_angle_atom_site_label_1\r\n_geom_angle_atom_site_label_2\r\n_geom_angle_atom_site_label_3\r\n_geom_angle\r\n_geom_angle_site_symmetry_1\r\n_geom_angle_site_symmetry_3\r\n_geom_angle_publ_flag\r\nC3 S1 C3 91.4(2) 2_655 . ?\r\nC2 N1 C5 116.8(3) . . ?\r\nN1 C2 C3 123.2(3) . . ?\r\nN1 C2 H2A 118.4 . . ?\r\nC3 C2 H2A 118.4 . . ?\r\nC4 C3 C2 127.5(3) . . ?\r\nC4 C3 S1 111.5(2) . . ?\r\nC2 C3 S1 120.9(2) . . ?\r\nC3 C4 C4 112.81(18) . 2_655 ?\r\nC3 C4 H4A 123.6 . . ?\r\nC4 C4 H4A 123.6 2_655 . ?\r\nN1 C5 C7 110.3(2) . . ?\r\nN1 C5 C6 108.4(2) . . ?\r\nC7 C5 C6 111.6(2) . . ?\r\nN1 C5 H5A 108.8 . . ?\r\nC7 C5 H5A 108.8 . . ?\r\nC6 C5 H5A 108.8 . . ?\r\nC5 C6 H6A 109.5 . . ?\r\nC5 C6 H6B 109.5 . . ?\r\nH6A C6 H6B 109.5 . . ?\r\nC5 C6 H6C 109.5 . . ?\r\nH6A C6 H6C 109.5 . . ?\r\nH6B C6 H6C 109.5 . . ?\r\nC8 C7 C12 117.6(3) . . ?\r\nC8 C7 C5 120.8(3) . . ?\r\nC12 C7 C5 121.6(3) . . ?\r\nC7 C8 C9 121.9(3) . . ?\r\nC7 C8 H8A 119.1 . . ?\r\nC9 C8 H8A 119.1 . . ?\r\nC10 C9 C8 118.2(3) . . ?\r\nC10 C9 H9A 120.9 . . ?\r\nC8 C9 H9A 120.9 . . ?\r\nC9 C10 C11 122.9(3) . . ?\r\nC9 C10 F1 118.4(3) . . ?\r\nC11 C10 F1 118.7(3) . . ?\r\nC10 C11 C12 118.4(3) . . ?\r\nC10 C11 H11A 120.8 . . ?\r\nC12 C11 H11A 120.8 . . ?\r\nC11 C12 C7 121.1(3) . . ?\r\nC11 C12 H12A 119.5 . . ?\r\nC7 C12 H12A 119.5 . . ?\r\n\r\nloop_\r\n_geom_torsion_atom_site_label_1\r\n_geom_torsion_atom_site_label_2\r\n_geom_torsion_atom_site_label_3\r\n_geom_torsion_atom_site_label_4\r\n_geom_torsion\r\n_geom_torsion_site_symmetry_1\r\n_geom_torsion_site_symmetry_2\r\n_geom_torsion_site_symmetry_3\r\n_geom_torsion_site_symmetry_4\r\n_geom_torsion_publ_flag\r\nC5 N1 C2 C3 -179.6(2) . . . . ?\r\nN1 C2 C3 C4 168.6(3) . . . . ?\r\nN1 C2 C3 S1 -8.7(4) . . . . ?\r\nC3 S1 C3 C4 -0.29(16) 2_655 . . . ?\r\nC3 S1 C3 C2 177.4(3) 2_655 . . . ?\r\nC2 C3 C4 C4 -176.7(3) . . . 2_655 ?\r\nS1 C3 C4 C4 0.8(4) . . . 2_655 ?\r\nC2 N1 C5 C7 124.5(3) . . . . ?\r\nC2 N1 C5 C6 -113.0(3) . . . . ?\r\nN1 C5 C7 C8 -129.0(3) . . . . ?\r\nC6 C5 C7 C8 110.4(3) . . . . ?\r\nN1 C5 C7 C12 53.2(4) . . . . ?\r\nC6 C5 C7 C12 -67.4(4) . . . . ?\r\nC12 C7 C8 C9 1.0(5) . . . . ?\r\nC5 C7 C8 C9 -176.9(3) . . . . ?\r\nC7 C8 C9 C10 -0.4(5) . . . . ?\r\nC8 C9 C10 C11 -0.2(5) . . . . ?\r\nC8 C9 C10 F1 -179.1(3) . . . . ?\r\nC9 C10 C11 C12 0.0(6) . . . . ?\r\nF1 C10 C11 C12 179.0(3) . . . . ?\r\nC10 C11 C12 C7 0.6(5) . . . . ?\r\nC8 C7 C12 C11 -1.1(4) . . . . ?\r\nC5 C7 C12 C11 176.7(3) . . . . ?\r\n\r\n_refine_diff_density_max 0.149\r\n_refine_diff_density_min -0.249\r\n_refine_diff_density_rms 0.038\r\n\r\n_shelx_res_file \r\n;\r\n\r\n BIM-IV-R_MO.res created by SHELXL-2014/7\r\n\r\n\r\nTITL BIM-IV-R_MO in P21212 #18\r\nREM reset to P21212 #18\r\nCELL 0.71073 21.1153 7.7846 6.1343 90 90 90\r\nZERR 2 0.0016 0.0006 0.0005 0 0 0\r\nLATT -1\r\nSYMM -X,-Y,+Z\r\nSYMM 0.5+X,0.5-Y,-Z\r\nSYMM 0.5-X,0.5+Y,-Z\r\nSFAC C H F N S\r\nUNIT 44 40 4 4 2\r\n\r\nOMIT 1 0 1\r\nOMIT 0 0 1\r\nOMIT 2 1 0\r\n\r\nACTA\r\n\r\nL.S. 12\r\n\r\nBOND $H\r\nCONF\r\n\r\nFMAP 2\r\nPLAN 15\r\n\r\nWGHT 0.038400 0.061300\r\nFVAR 11.02408\r\nS1 5 0.500000 0.000000 1.068167 10.50000 0.04993 0.05588 =\r\n 0.03792 0.00000 0.00000 -0.00556\r\nF1 3 0.858016 0.320337 0.573105 11.00000 0.06868 0.11669 =\r\n 0.16362 -0.03014 0.04849 -0.00469\r\nN1 4 0.586978 0.311885 1.012008 11.00000 0.04521 0.05016 =\r\n 0.05399 -0.00282 0.00324 -0.00819\r\nC2 1 0.568525 0.283027 1.204566 11.00000 0.04045 0.05436 =\r\n 0.04890 -0.00726 -0.00435 -0.00280\r\nAFIX 43\r\nH2A 2 0.579544 0.360959 1.313033 11.00000 -1.20000\r\nAFIX 0\r\nC3 1 0.531019 0.134367 1.264617 11.00000 0.03878 0.05440 =\r\n 0.04520 -0.00239 -0.00127 -0.00111\r\nC4 1 0.517507 0.077394 1.469024 11.00000 0.05600 0.07117 =\r\n 0.03957 -0.00405 -0.00204 -0.01152\r\nAFIX 43\r\nH4A 2 0.529973 0.134205 1.595299 11.00000 -1.20000\r\nAFIX 0\r\nC5 1 0.625129 0.467931 0.977008 11.00000 0.05445 0.05126 =\r\n 0.06472 -0.01110 0.01119 -0.01045\r\nAFIX 13\r\nH5A 2 0.633617 0.521634 1.118516 11.00000 -1.20000\r\nAFIX 0\r\nC6 1 0.586614 0.593148 0.836801 11.00000 0.06514 0.06016 =\r\n 0.12337 0.01586 0.02303 0.01107\r\nAFIX 137\r\nH6A 2 0.547578 0.619981 0.909444 11.00000 -1.50000\r\nH6B 2 0.577652 0.541203 0.698258 11.00000 -1.50000\r\nH6C 2 0.610499 0.696654 0.814923 11.00000 -1.50000\r\nAFIX 0\r\nC7 1 0.687770 0.422324 0.870220 11.00000 0.04681 0.04032 =\r\n 0.05138 0.00010 0.00022 -0.00631\r\nC8 1 0.744187 0.479883 0.956277 11.00000 0.05760 0.04920 =\r\n 0.06625 -0.01036 0.00019 -0.00901\r\nAFIX 43\r\nH8A 2 0.743621 0.542688 1.085227 11.00000 -1.20000\r\nAFIX 0\r\nC9 1 0.801439 0.447035 0.856703 11.00000 0.04691 0.06382 =\r\n 0.09850 -0.00688 -0.00229 -0.01139\r\nAFIX 43\r\nH9A 2 0.839117 0.487273 0.916337 11.00000 -1.20000\r\nAFIX 0\r\nC10 1 0.801342 0.355078 0.670680 11.00000 0.05383 0.05770 =\r\n 0.09504 0.00058 0.02089 -0.00091\r\nC11 1 0.747330 0.293209 0.577684 11.00000 0.07542 0.06290 =\r\n 0.05775 -0.00530 0.01136 0.00015\r\nAFIX 43\r\nH11A 2 0.748873 0.230086 0.449078 11.00000 -1.20000\r\nAFIX 0\r\nC12 1 0.690416 0.326497 0.678899 11.00000 0.04991 0.05729 =\r\n 0.05567 -0.00200 -0.00625 -0.00575\r\nAFIX 43\r\nH12A 2 0.653151 0.284258 0.618422 11.00000 -1.20000\r\n\r\nAFIX 0\r\nHKLF 4\r\n\r\nREM BIM-IV-R_MO in P21212 #18\r\nREM R1 = 0.0439 for 1591 Fo > 4sig(Fo) and 0.0704 for all 2067 data\r\nREM 124 parameters refined using 0 restraints\r\n\r\nEND\r\n\r\nWGHT 0.0378 0.0621\r\n\r\nREM Highest difference peak 0.149, deepest hole -0.249, 1-sigma level 0.038\r\nQ1 1 0.5000 0.0000 0.7900 10.50000 0.05 0.15\r\nQ2 1 0.5000 0.5000 1.2515 10.50000 0.05 0.14\r\nQ3 1 0.5395 0.6393 1.1882 11.00000 0.05 0.13\r\nQ4 1 0.8320 0.3653 0.4237 11.00000 0.05 0.13\r\nQ5 1 0.5572 -0.0226 1.8101 11.00000 0.05 0.12\r\nQ6 1 0.5994 0.2743 1.1107 11.00000 0.05 0.12\r\nQ7 1 0.5706 0.7959 0.9902 11.00000 0.05 0.11\r\nQ8 1 0.8327 0.4371 1.0937 11.00000 0.05 0.11\r\nQ9 1 0.5609 0.0622 1.5638 11.00000 0.05 0.11\r\nQ10 1 0.7514 0.1299 0.5004 11.00000 0.05 0.11\r\nQ11 1 0.7194 0.6138 1.1183 11.00000 0.05 0.11\r\nQ12 1 0.8127 0.4799 0.4204 11.00000 0.05 0.11\r\nQ13 1 0.6340 0.2493 0.4688 11.00000 0.05 0.10\r\nQ14 1 0.5492 0.5294 1.3019 11.00000 0.05 0.10\r\nQ15 1 0.5415 0.0616 1.3461 11.00000 0.05 0.10\r\n;\r\n_shelx_res_checksum 63132\r\n\r\n_shelx_hkl_file \r\n;\r\n 0 0 -1-0.63875 3541.28 7\r\n 0 0 1 1732.69 2658.21 2\r\n 0 0 -1 10031.1 3408.11 5\r\n 0 0 -2 229323. 4390.98 7\r\n 0 0 2 230256. 3210.95 2\r\n 0 0 -3 13151.2 1320.89 5\r\n 0 0 -3 15234.9 1481.96 7\r\n 0 0 3 15321.7 1378.22 5\r\n 0 0 3 13980.7 1023.89 2\r\n 0 0 4 2463.55 961.690 3\r\n 0 0 4 2296.18 697.949 4\r\n 0 0 -4 1580.90 708.096 5\r\n 0 0 4 1990.28 776.153 5\r\n 0 0 -4 1903.01 775.080 7\r\n 0 0 4 3066.26 880.414 7\r\n 0 0 4 2707.79 586.409 2\r\n 0 0 4 2722.26 641.580 1\r\n 0 0 -5 844.596 971.088 5\r\n 0 0 5 40.3117 436.008 2\r\n 0 0 -5 464.044 848.094 7\r\n 0 0 5-90.6999 651.568 1\r\n 0 0 5 279.731 763.283 4\r\n 0 0 6-188.035 744.357 4\r\n 0 0 6 1090.68 369.941 2\r\n 0 0 6 88.9819 599.335 1\r\n 0 0 -6-159.188 672.266 5\r\n 0 0 7-863.469 914.019 4\r\n 0 0 7 132.924 638.884 1\r\n 0 0 -7 416.182 1070.50 5\r\n 0 -1 -1 942576. 4476.71 2\r\n 0 1 1 933420. 4230.23 6\r\n 0 1 2 113219. 1926.35 2\r\n 0 -1 -2 113667. 2042.31 2\r\n 0 1 -2 111747. 2749.79 5\r\n 0 -1 -2 100943. 3042.47 5\r\n 0 -1 -2 100387. 3031.96 7\r\n 0 1 2 111952. 2206.00 4\r\n 0 1 -2 112927. 3044.48 7\r\n 0 -1 2 110661. 2764.15 5\r\n 0 1 3 165459. 3524.85 4\r\n 0 -1 3 162207. 3890.34 2\r\n 0 -1 -3 164397. 3047.91 2\r\n 0 1 -3 165696. 4232.66 5\r\n 0 -1 3 167045. 4489.38 7\r\n 0 1 3 173405. 3986.54 1\r\n 0 1 -3 166803. 4665.83 7\r\n 0 1 3 172699. 2989.26 2\r\n 0 -1 3 167792. 4298.54 5\r\n 0 -1 -3 170917. 4788.25 7\r\n 0 -1 -3 167040. 4678.06 5\r\n 0 1 4 29536.2 2853.73 3\r\n 0 1 4 24951.6 1811.97 1\r\n 0 1 -4 25078.0 2226.56 7\r\n 0 1 -4 22375.2 1904.03 5\r\n 0 -1 4 27159.8 2208.06 7\r\n 0 1 4 22239.0 1277.49 2\r\n 0 1 4 26066.3 1730.21 4\r\n 0 -1 -4 27444.0 2320.25 7\r\n 0 -1 -4 24288.1 2160.84 5\r\n 0 -1 4 26100.4 2116.79 5\r\n 0 -1 4 22788.7 1671.12 2\r\n 0 1 4 27222.2 2212.67 5\r\n 0 1 -5 16313.2 2097.40 7\r\n 0 -1 5 17829.3 1444.41 1\r\n 0 1 5 15649.6 1626.82 4\r\n 0 1 5 17901.7 1815.63 1\r\n 0 1 -5 14036.8 1840.38 5\r\n 0 -1 -5 16919.9 2103.74 5\r\n 0 -1 5 15784.1 1593.54 2\r\n 0 1 5 15723.2 1233.36 2\r\n 0 1 6 709.694 695.952 4\r\n 0 -1 6 135.148 494.375 2\r\n 0 1 -6-2119.09 1255.40 7\r\n 0 -1 -6 1320.80 1150.84 5\r\n 0 -1 6 25.6182 751.289 6\r\n 0 1 6-264.504 352.218 2\r\n 0 -1 6 70.0055 528.218 1\r\n 0 -1 6 649.930 744.278 4\r\n 0 1 6 245.888 737.162 1\r\n 0 1 -7 1688.77 1270.45 7\r\n 0 -1 -7 1309.30 1288.74 5\r\n 0 -1 7 761.692 1088.89 4\r\n 0 1 7 1197.56 797.174 1\r\n 0 1 7 782.190 847.953 4\r\n 0 -2 0 47781.1 1435.52 1\r\n 0 2 1 642521. 5572.15 6\r\n 0 -2 -1 657128. 5535.11 6\r\n 0 -2 1 696869. 4012.68 1\r\n 0 2 1 688282. 4613.20 4\r\n 0 2 -1 719494. 5712.09 7\r\n 0 -2 -1 688720. 4135.00 4\r\n 0 -2 -1 706200. 6749.09 5\r\n 0 2 2 93686.2 1624.50 4\r\n 0 -2 2 101704. 2756.57 7\r\n 0 -2 2 97437.4 2585.88 5\r\n 0 -2 -2 94903.4 1755.22 4\r\n 0 2 -2 87653.5 2778.79 7\r\n 0 2 2 94905.8 1894.79 6\r\n 0 -2 -2 95705.8 3157.03 5\r\n 0 2 2 102299. 3155.53 3\r\n 0 -2 -2 92443.4 2047.12 2\r\n 0 -2 -3 5224.96 1084.55 5\r\n 0 2 3 4730.85 444.133 6\r\n 0 -2 -3 4992.08 604.305 2\r\n 0 -2 3 5237.81 874.678 7\r\n 0 2 3 4109.40 534.399 4\r\n 0 -2 3 3924.91 772.472 5\r\n 0 2 3 6782.27 1131.65 3\r\n 0 2 3 5486.65 922.317 1\r\n 0 2 -3 3737.37 888.261 7\r\n 0 -2 -4 1530.81 379.217 2\r\n 0 2 4-100.481 422.842 3\r\n 0 -2 4 1733.15 659.456 7\r\n 0 2 4 1924.46 712.558 1\r\n 0 -2 4 2326.28 703.544 5\r\n 0 -2 -4 1755.32 756.506 5\r\n 0 2 4 1051.73 238.049 6\r\n 0 -2 4 1558.79 684.092 2\r\n 0 2 -4 1896.71 742.431 7\r\n 0 2 4 1588.80 466.279 4\r\n 0 -2 -5 18906.2 2255.20 5\r\n 0 2 5 22797.4 1695.44 4\r\n 0 -2 5 19109.0 1902.89 2\r\n 0 -2 5 19787.1 1249.44 1\r\n 0 2 5 20790.8 2083.93 1\r\n 0 2 5 18212.3 694.729 6\r\n 0 2 5 17917.4 696.478 6\r\n 0 2 -5 20112.2 2344.08 7\r\n 0 -2 5 14192.9 1847.27 6\r\n 0 2 -6 4354.94 1116.30 7\r\n 0 -2 -6 1554.48 1076.22 5\r\n 0 2 6 2360.81 766.446 4\r\n 0 -2 6 1612.80 493.052 1\r\n 0 -2 6 1260.77 712.858 2\r\n 0 2 6 1948.75 911.101 1\r\n 0 2 -7 2954.03 999.504 7\r\n 0 -2 -7 2000.67 1344.52 5\r\n 0 -2 7 1849.20 1235.92 4\r\n 0 2 7 2454.97 1200.08 1\r\n 0 -2 7 1853.38 726.875 2\r\n 0 -3 0 12.0036 320.196 6\r\n 0 3 0-43.1807 269.040 1\r\n 0 -3 0 126.993 151.662 3\r\n 0 -3 0 167.513 221.289 1\r\n 0 3 -1 30549.6 1400.92 7\r\n 0 -3 -1 30621.6 1210.49 4\r\n 0 -3 -1 30809.0 1647.00 5\r\n 0 -3 -1 28547.2 1556.42 6\r\n 0 -3 1 28253.6 1148.98 1\r\n 0 3 -1 30195.9 1127.12 1\r\n 0 -3 2 325405. 2987.85 1\r\n 0 -3 -2 322007. 6200.62 5\r\n 0 -3 -2 313265. 3222.28 4\r\n 0 3 2 329975. 4920.65 3\r\n 0 3 -2 310522. 5301.20 7\r\n 0 3 2 324464. 4628.12 6\r\n 0 3 2 322619. 3521.24 4\r\n 0 -3 2 312278. 5220.14 7\r\n 0 -3 -2 326110. 4550.10 6\r\n 0 3 3 31849.8 2194.18 1\r\n 0 -3 3 31638.1 1983.75 7\r\n 0 3 3 30614.3 2169.12 3\r\n 0 -3 3 27072.9 711.145 1\r\n 0 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-3 2 4 15258.9 1267.11 2\r\n 3 -2 4 18115.9 1763.27 6\r\n -3 2 4 19914.9 1909.41 5\r\n -3 2 4 16180.5 1279.98 6\r\n 3 -2 4 18139.5 1902.20 5\r\n 3 2 -4 17097.5 1922.53 7\r\n -3 -2 -4 16521.8 1985.84 5\r\n 3 -2 3 101438. 3596.67 6\r\n -3 -2 -3 94821.4 2936.03 4\r\n -3 2 3 95724.7 2814.96 2\r\n -3 -2 -3 89415.8 3739.82 5\r\n -3 2 3 91265.8 1735.04 4\r\n 3 -2 3 92487.8 3245.72 7\r\n -3 2 3 103206. 3439.09 1\r\n -3 2 3 96942.8 3760.65 7\r\n -3 2 3 92379.4 2751.53 6\r\n 3 2 -3 95288.4 3733.43 7\r\n 3 -2 3 101338. 4806.07 3\r\n -3 2 3 82646.1 1788.46 4\r\n 3 -2 3 98883.7 3613.82 5\r\n -3 -2 -2 52999.3 2534.49 3\r\n 3 -2 2 55559.7 1985.40 7\r\n 3 -2 2 51170.0 2371.26 6\r\n 3 -2 2 52442.2 2881.96 3\r\n -3 -2 -2 49361.1 2387.85 5\r\n -3 2 2 54848.9 2347.57 7\r\n -3 -2 -2 52336.8 1864.87 4\r\n 3 2 -2 55382.6 2344.63 7\r\n -3 2 2 54163.6 2005.75 6\r\n -3 -2 -1 14503.8 1078.06 5\r\n -3 -2 -1 15594.6 945.886 4\r\n 3 -2 1 16067.7 1245.25 3\r\n -3 -2 -1 16250.3 1009.48 3\r\n -3 2 1 14833.1 1094.42 6\r\n 3 2 -1 14628.7 1057.21 7\r\n 3 -2 1 16381.4 708.442 7\r\n -3 2 1 15706.1 952.788 7\r\n 3 -2 0 125960. 2570.21 1\r\n -3 2 0 128192. 3144.54 6\r\n 3 2 0 130453. 1939.39 5\r\n -3 -2 0 129966. 2870.18 4\r\n -3 -2 0 132519. 2095.53 5\r\n -3 2 -1 14642.3 1261.91 3\r\n 3 -2 -1 15236.8 1007.45 2\r\n -3 2 -1 15171.0 1214.96 6\r\n 3 2 1 13666.9 912.885 4\r\n 3 2 1 15193.4 1053.89 5\r\n -3 2 -1 15650.3 752.936 7\r\n 3 -2 -1 15232.4 1077.86 6\r\n 3 -2 -1 15750.5 1078.72 1\r\n 3 2 2 52614.3 2316.34 3\r\n 3 -2 -2 51714.0 2256.97 7\r\n 3 -2 -2 50721.2 2295.11 5\r\n -3 -2 2 48892.2 2394.01 2\r\n -3 2 -2 48215.0 1971.10 7\r\n 3 -2 -2 51814.8 2029.34 2\r\n 3 2 2 52132.7 1782.44 4\r\n -3 -2 2 51278.4 1564.90 5\r\n 3 -2 -2 51925.1 2181.02 1\r\n -3 -2 3 97540.9 3463.93 7\r\n -3 -2 3 90342.4 2814.90 5\r\n 3 2 3 94784.9 2741.11 4\r\n 3 -2 -3 95818.5 3719.60 7\r\n 3 -2 -3 88020.7 2903.08 2\r\n 3 2 3 95032.1 3916.22 3\r\n 3 -2 -3 88076.3 3567.11 5\r\n -3 -2 3 91560.6 3571.63 2\r\n -3 2 -3 91101.7 3375.37 7\r\n 3 2 4 15535.8 2012.27 3\r\n 3 -2 -4 18313.5 1971.30 7\r\n -3 -2 4 14271.7 1645.76 2\r\n -3 -2 4 15275.5 1504.42 5\r\n 3 -2 -4 14985.1 1804.39 5\r\n 3 -2 -4 17161.7 1472.52 2\r\n 3 2 4 14942.3 1355.24 4\r\n -3 2 -4 15480.8 1723.95 7\r\n -3 -2 5 16384.5 861.461 1\r\n 3 2 5 23724.3 1927.83 4\r\n -3 -2 5 19337.2 2127.40 2\r\n 3 -2 -5 22085.5 1799.57 2\r\n 3 -2 -5 16352.8 2162.66 5\r\n -3 -2 5 19976.4 1906.54 5\r\n -3 2 -5 18977.5 2188.18 7\r\n 3 2 6 1128.10 809.465 1\r\n 3 2 6 2088.28 686.624 4\r\n -3 -2 6 1404.36 643.456 2\r\n -3 2 -6 1880.66 909.857 7\r\n 3 -2 -6 2035.33 1055.26 5\r\n 3 -2 -7 1463.98 1090.39 5\r\n 3 2 7 387.316 797.076 1\r\n -3 -2 7 1587.00 835.457 2\r\n 3 3 -7 1519.90 1317.73 7\r\n -3 -3 -7 1834.12 1164.07 5\r\n -3 3 7 4136.16 1365.71 1\r\n 3 -3 7 3321.17 1549.43 4\r\n -3 -3 -6 3171.99 1511.21 5\r\n -3 3 6 3626.19 1128.71 1\r\n 3 -3 6 3509.64 1359.12 4\r\n 3 -3 6 1914.95 823.616 2\r\n 3 3 -6 5173.04 1533.14 7\r\n -3 -3 -5 1601.72 1093.52 5\r\n -3 3 5 1768.41 992.314 1\r\n -3 3 5 1093.18 257.170 4\r\n 3 -3 5 1052.39 952.776 4\r\n -3 3 5 1181.21 403.057 6\r\n -3 3 5 1285.79 264.192 4\r\n 3 3 -5 1078.30 786.550 7\r\n -3 -3 -4 866.355 167.277 2\r\n 3 -3 4 1144.33 634.072 5\r\n -3 -3 -4 1009.20 781.846 5\r\n 3 -3 4 2039.76 801.829 7\r\n -3 3 4 563.355 449.900 6\r\n -3 3 4 1202.87 684.665 1\r\n -3 3 4 6.93921 795.674 3\r\n 3 -3 4 1219.96 801.414 6\r\n 3 3 -4 760.608 674.349 7\r\n -3 -3 -3 1631.11 330.724 2\r\n 3 3 -3 1756.31 764.362 7\r\n 3 -3 3 1370.74 639.924 5\r\n 3 -3 3 716.311 706.101 3\r\n -3 3 3 905.904 585.400 7\r\n 3 -3 3 1638.74 671.744 6\r\n -3 -3 -3 1455.08 739.663 5\r\n 3 -3 3 1205.81 573.474 7\r\n -3 3 3 1332.71 629.243 1\r\n -3 -3 -3 1790.59 457.778 4\r\n -3 3 3 1456.29 487.302 6\r\n -3 -3 -2 110004. 3467.66 3\r\n -3 3 2 114697. 3521.28 7\r\n 3 -3 2 112809. 4357.51 3\r\n -3 3 2 114014. 3292.67 6\r\n 3 3 -2 118665. 3536.52 7\r\n 3 -3 2 121217. 2843.12 7\r\n 3 -3 2 117171. 4111.40 6\r\n -3 -3 -2 108537. 2754.96 4\r\n -3 -3 -2 111722. 3793.59 5\r\n -3 -3 -2 114480. 2458.25 6\r\n 3 -3 1 33389.4 1834.72 3\r\n -3 -3 -1 30315.9 1659.29 5\r\n 3 -3 1 32155.9 1421.95 1\r\n -3 3 1 33709.6 1852.82 6\r\n -3 3 1 33911.3 1493.75 7\r\n -3 -3 -1 31822.9 1513.01 4\r\n 3 3 -1 34360.0 1189.90 1\r\n -3 3 0 96049.2 2272.23 3\r\n -3 3 0 90144.9 2516.63 1\r\n -3 -3 0 92776.5 2893.24 4\r\n 3 -3 0 93872.0 2625.97 1\r\n -3 -3 0 93134.4 2201.96 5\r\n -3 3 -1 31193.8 2021.84 6\r\n 3 -3 -1 33209.6 1781.31 1\r\n 3 3 1 26459.9 1513.84 4\r\n 3 -3 -1 30121.1 1755.79 6\r\n -3 -3 1 26787.8 2073.58 4\r\n -3 3 -1 30918.9 1150.76 7\r\n 3 3 1 32591.5 1612.41 5\r\n -3 3 -2 108733. 2942.18 7\r\n 3 3 2 114351. 3693.84 5\r\n -3 -3 2 109307. 2313.14 5\r\n 3 3 2 108467. 2763.29 4\r\n 3 -3 -2 107175. 3635.64 5\r\n 3 -3 -2 110318. 3254.18 6\r\n 3 -3 -2 115057. 3596.59 1\r\n 3 -3 -2 114471. 3187.92 2\r\n -3 -3 3 1617.74 662.110 7\r\n 3 -3 -3 1428.71 704.586 5\r\n 3 -3 -3 826.894 430.801 2\r\n 3 3 3 1296.97 587.703 7\r\n 3 3 3 1309.61 703.797 5\r\n 3 3 3 1696.53 652.383 3\r\n 3 3 3 1624.29 468.218 4\r\n -3 -3 3 1419.12 461.955 5\r\n -3 3 -3 1342.03 566.683 7\r\n 3 -3 -4 911.515 800.029 5\r\n 3 3 4 819.853 419.518 3\r\n 3 -3 -4 1220.82 534.775 2\r\n -3 -3 4 873.427 531.221 5\r\n -3 3 -4 1200.69 727.922 7\r\n 3 3 4 1301.88 514.517 4\r\n -3 -3 4 342.203 640.173 2\r\n -3 3 -5-103.190 713.185 7\r\n 3 3 5 1684.83 863.605 1\r\n 3 -3 -5 8.30647 655.863 2\r\n -3 -3 5 1151.74 613.299 2\r\n -3 -3 5-838.270 734.524 5\r\n 3 3 5 1275.14 598.518 4\r\n 3 -3 -5 1340.03 977.912 5\r\n -3 3 -6 1680.65 963.371 7\r\n 3 -3 -6 4133.07 1318.84 5\r\n 3 3 6 3352.89 1193.17 1\r\n -3 -3 6 2941.38 1207.75 2\r\n 3 3 6 2159.10 821.845 4\r\n 3 -3 -7 3571.07 1496.64 5\r\n 3 3 7 3828.63 1252.67 1\r\n -3 3 -7 2246.86 1123.93 7\r\n -3 -3 7 5089.13 1223.49 2\r\n -3 -4 -6 1764.60 1215.52 5\r\n -3 4 6 6805.08 1526.33 1\r\n 3 -4 6 4683.46 1200.31 2\r\n 3 -4 6 6934.57 1837.32 4\r\n 3 4 -6 5609.37 1468.29 7\r\n -3 4 5 2904.75 615.811 6\r\n -3 4 5 4698.35 1273.34 1\r\n -3 4 5 3442.51 1020.76 3\r\n 3 4 -5 3660.09 1348.56 7\r\n -3 -4 -5 5913.81 1562.45 5\r\n 3 -4 4 10579.3 1583.66 5\r\n -3 -4 -4 12251.7 1149.50 4\r\n 3 4 -4 10517.6 1636.05 7\r\n -3 4 4 10984.7 1651.01 1\r\n -3 4 4 11305.9 1161.67 6\r\n -3 -4 -4 11639.9 847.736 2\r\n -3 4 4 10585.4 1547.00 3\r\n -3 -4 -4 10842.6 1744.46 5\r\n 3 -4 4 12035.4 1494.16 7\r\n -3 4 3 24432.9 2129.88 1\r\n -3 -4 -3 24478.8 1314.53 2\r\n -3 -4 -3 22498.2 1423.71 4\r\n 3 -4 3 23548.5 1226.96 1\r\n -3 4 3 21838.7 1884.25 3\r\n -3 -4 -3 22509.5 2185.82 5\r\n 3 -4 3 26497.3 2653.24 3\r\n 3 -4 3 26172.2 2532.81 6\r\n -3 -4 -3 23801.0 1198.16 6\r\n 3 4 -3 22006.0 1998.83 7\r\n -3 4 3 24679.0 2083.79 7\r\n 3 -4 3 24810.4 1759.74 7\r\n -3 4 3 23540.9 1717.19 6\r\n -3 -4 -2 6061.90 1051.67 5\r\n 3 -4 2 5389.63 662.162 1\r\n 3 -4 2 6609.64 1262.59 6\r\n -3 4 2 6704.10 969.929 7\r\n -3 4 2 4571.63 874.158 6\r\n -3 -4 -2 5811.10 738.807 4\r\n -3 -4 -2 6862.49 855.125 6\r\n 3 4 -2 5233.27 913.067 7\r\n 3 -4 2 8560.77 1308.10 3\r\n 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738.484 6\r\n 3 -5 3 17050.3 2205.97 3\r\n -3 5 3 14952.5 1243.10 3\r\n 3 -5 3 13393.3 1054.11 1\r\n -3 -5 -3 16920.8 1307.23 4\r\n -3 5 3 14268.2 1571.02 6\r\n -3 -5 -3 15885.0 1265.90 6\r\n -3 5 3 16433.7 1925.47 1\r\n -3 5 3 15854.5 1785.50 7\r\n 3 5 -3 14520.3 1738.76 7\r\n -3 -5 -3 14725.7 1866.73 5\r\n 3 -5 2 8760.44 941.585 1\r\n -3 5 2 10165.0 1263.29 7\r\n -3 -5 -2 8636.60 1364.94 5\r\n -3 5 2 9715.72 1448.24 1\r\n -3 -5 -2 9642.29 1044.76 4\r\n -3 -5 -2 9832.46 1183.87 6\r\n 3 -5 2 9042.92 1458.92 3\r\n 3 5 -2 11414.4 1368.77 7\r\n -3 5 2 11044.2 1409.79 6\r\n 3 5 -1 27649.2 1546.16 1\r\n -3 5 1 28306.7 2053.13 1\r\n -3 5 1 28563.4 2265.09 6\r\n 3 -5 1 26486.6 1728.65 1\r\n -3 -5 -1 27800.1 1848.23 4\r\n 3 -5 1 25813.7 1755.82 3\r\n -3 -5 -1 29561.3 2016.26 5\r\n 3 -5 1 32793.8 2669.97 6\r\n -3 -5 -1 24767.7 971.043 3\r\n -3 -5 -1 28016.3 2159.05 6\r\n -3 -5 0 394.633 287.913 5\r\n 3 5 0 539.320 466.250 1\r\n -3 5 0 516.422 461.388 1\r\n -3 -5 0 1234.10 527.660 4\r\n 3 -5 0 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751.939 6\r\n -4 4 4 2485.97 1028.95 1\r\n -4 -4 -3 230.756 639.168 5\r\n -4 4 3 1192.00 679.314 7\r\n 4 4 -3 846.113 619.642 7\r\n 4 -4 3-162.737 623.133 3\r\n 4 -4 3 898.413 799.100 6\r\n -4 -4 -3 564.383 359.908 4\r\n -4 -4 -3 828.915 306.021 6\r\n -4 4 3 1039.73 587.802 6\r\n -4 4 3 912.327 806.269 1\r\n 4 -4 3 537.854 451.874 7\r\n 4 4 -2 25087.2 1824.12 7\r\n -4 -4 -2 23930.8 1666.00 3\r\n -4 -4 -2 22936.7 1497.25 4\r\n 4 4 -2 21925.1 790.630 1\r\n 4 -4 2 22508.3 1372.02 1\r\n -4 4 2 24202.6 1746.79 7\r\n -4 -4 -2 21226.0 1407.82 6\r\n 4 -4 2 25644.3 2316.70 6\r\n 4 -4 2 22129.0 2076.35 3\r\n -4 -4 -2 22267.5 1914.00 5\r\n -4 4 2 21264.0 1733.05 6\r\n 4 -4 1 21361.1 1416.74 1\r\n -4 4 1 18846.7 1259.95 7\r\n -4 4 1 21881.9 1817.80 6\r\n -4 -4 -1 20847.9 1558.97 5\r\n -4 -4 -1 19944.9 1459.41 4\r\n 4 4 -1 19427.8 1135.74 1\r\n -4 4 0 16982.5 1147.61 3\r\n 4 -4 0 14994.1 1277.94 1\r\n -4 -4 0 15442.5 1093.54 5\r\n -4 -4 0 16241.8 1471.04 4\r\n -4 4 0 13803.0 1537.67 6\r\n 4 -4 0 17337.9 1690.15 6\r\n -4 4 -1 20199.6 1917.96 6\r\n -4 -4 1 20888.8 985.380 5\r\n 4 -4 -1 21128.7 1774.20 6\r\n 4 4 1 21240.6 1711.03 4\r\n -4 -4 1 19923.2 1844.35 4\r\n -4 4 -1 21755.2 1039.56 7\r\n 4 -4 -1 19445.3 1603.57 1\r\n 4 4 1 22075.3 1457.68 5\r\n -4 4 -2 22696.4 1429.69 7\r\n 4 -4 -2 20973.6 1848.20 5\r\n 4 -4 -2 22059.8 1818.60 1\r\n 4 -4 -2 22593.7 1804.90 6\r\n 4 4 2 19993.5 1514.06 4\r\n 4 -4 -2 23599.4 1712.82 2\r\n 4 4 2 23978.3 1853.04 5\r\n 4 4 3 962.861 481.982 4\r\n 4 -4 -3 428.424 774.289 5\r\n 4 -4 -3 1202.13 540.607 2\r\n -4 -4 3 958.333 394.786 5\r\n -4 4 -3 760.258 471.946 7\r\n 4 4 4 3380.24 733.524 4\r\n 4 -4 -4 2316.73 708.201 2\r\n 4 -4 -4 3163.27 1168.14 5\r\n -4 -4 4 1409.95 1010.87 2\r\n -4 4 -4 1908.19 853.924 7\r\n 4 4 4 3605.32 1117.23 1\r\n -4 -4 4 2841.11 674.756 5\r\n -4 -4 5-44.5970 848.462 5\r\n -4 4 -5 997.399 639.874 7\r\n 4 4 5 677.392 713.593 1\r\n -4 -4 5 1411.32 834.510 2\r\n 4 -4 -5 921.764 544.499 2\r\n 4 4 5 1439.70 618.084 4\r\n 4 -4 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745.927 4\r\n 4 -5 -2 17155.4 1839.98 5\r\n 4 5 2 19855.4 1772.02 5\r\n 4 -5 -3 16568.7 1701.69 2\r\n -4 -5 3 15481.5 1151.28 5\r\n -4 5 -3 15090.6 1503.59 7\r\n 4 5 3 15239.1 1484.69 4\r\n 4 5 3 12262.9 1818.86 1\r\n 4 -5 -3 13992.6 1879.52 5\r\n -4 -5 4 5452.77 854.618 5\r\n -4 5 -4 5608.43 1189.40 7\r\n 4 5 4 6075.98 1413.25 1\r\n 4 -5 -4 6097.32 1050.55 2\r\n 4 5 4 6433.52 960.883 4\r\n 4 -5 -4 5472.18 1447.82 5\r\n -4 -5 4 5182.30 1393.35 2\r\n 4 -5 -5 1573.09 914.696 5\r\n -4 5 -5 2650.98 869.598 7\r\n -4 -5 5 1067.91 1072.64 2\r\n 4 5 5 2549.52 1236.63 1\r\n 4 -5 -6 1011.89 1068.43 5\r\n -4 -5 6 2764.07 1420.43 2\r\n -4 5 -6 1929.86 1028.60 7\r\n 4 5 6 1988.06 1237.10 1\r\n -4 6 5 1339.14 1110.74 1\r\n -4 -6 -5 1867.66 1223.49 5\r\n 4 6 -5-50.8386 1219.09 7\r\n -4 -6 -4 1062.74 867.187 5\r\n -4 6 4 1181.75 962.074 1\r\n -4 6 4 816.346 722.390 6\r\n 4 6 -4 365.091 656.687 7\r\n 4 -6 3 3035.77 617.946 1\r\n -4 -6 -3 2404.92 947.000 5\r\n -4 -6 -3 3681.67 801.180 4\r\n 4 6 -3 3450.40 1087.22 7\r\n -4 -6 -3 4523.95 858.204 6\r\n -4 6 3 3127.45 997.684 6\r\n -4 6 3 2648.50 1035.76 1\r\n -4 -6 -2 1009.13 808.949 5\r\n 4 -6 2 1519.43 607.903 3\r\n -4 6 2 887.613 717.533 1\r\n 4 6 -2 805.633 697.737 7\r\n -4 -6 -2 688.726 606.304 6\r\n 4 -6 2 987.847 341.909 1\r\n -4 6 2 1336.38 770.524 6\r\n 4 6 -2 644.744 350.105 1\r\n -4 -6 -2 485.216 430.799 4\r\n -4 6 2 706.323 496.049 7\r\n 4 6 -1 24128.2 1655.52 1\r\n 4 -6 1 22063.1 1791.97 1\r\n -4 -6 -1 25231.5 2289.33 6\r\n -4 -6 -1 22107.3 1877.59 4\r\n -4 6 1 22484.5 2326.77 6\r\n -4 6 1 19880.2 1964.99 1\r\n -4 -6 -1 19635.7 1853.54 5\r\n 4 6 0 3640.37 894.675 1\r\n -4 -6 0 3551.57 779.368 5\r\n 4 -6 0 1933.55 700.169 1\r\n -4 -6 0 3369.83 901.930 4\r\n 4 -6 -1 22171.6 1758.61 4\r\n -4 6 -1 23088.4 1383.71 7\r\n 4 6 1 20984.4 1988.72 1\r\n 4 -6 -1 21433.8 2097.51 5\r\n -4 -6 1 21205.2 1452.76 5\r\n 4 -6 -2 587.172 257.120 4\r\n 4 -6 -2 369.675 233.265 4\r\n -4 6 -2 733.319 477.189 7\r\n 4 -6 -2 454.921 629.816 5\r\n 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1153.07 1\r\n -4 -7 0 1165.12 333.622 3\r\n -4 -7 0 1331.09 663.966 5\r\n 4 7 0 1717.33 740.619 1\r\n -4 -7 1 4594.11 828.129 5\r\n 4 -7 -1 4232.63 1149.16 5\r\n -4 7 -1 5602.62 816.892 7\r\n 4 7 1 5514.60 1270.23 1\r\n 4 -7 -1 6349.25 1109.24 4\r\n 4 -7 -2 5653.00 1340.54 5\r\n -4 -7 2 5491.18 784.326 5\r\n 4 7 2 5280.83 1376.83 1\r\n -4 7 -2 4856.66 872.801 7\r\n 4 -7 -2 3832.96 624.280 4\r\n 4 7 3 614.305 847.244 1\r\n 4 -7 -3 945.733 525.384 5\r\n -4 7 -3 855.463 583.687 7\r\n 4 7 4 4185.54 1379.81 1\r\n 4 -7 -4 7812.23 1805.13 5\r\n -4 7 -4 5179.88 1177.48 7\r\n 4 -7 -5 1832.20 1101.33 5\r\n 4 7 5 1229.30 955.688 1\r\n -4 -7 5-1491.17 997.708 2\r\n -4 -8 -4 179.774 1181.09 5\r\n 4 8 -4-225.944 1095.77 7\r\n -4 8 4-111.113 891.438 1\r\n 4 8 -3 3078.13 1132.70 7\r\n -4 8 3 786.928 1024.07 1\r\n -4 -8 -3 852.154 1097.78 5\r\n -4 -8 -2 1469.85 1041.24 5\r\n 4 8 -2 3019.30 1045.76 7\r\n -4 8 2 2818.32 1123.09 1\r\n 4 8 -1 9198.16 1594.31 7\r\n 4 8 -1 9540.11 1350.49 1\r\n -4 8 1 9982.33 1655.75 1\r\n -4 -8 -1 11550.4 1652.58 5\r\n -4 -8 0 7430.49 1269.32 5\r\n 4 -8 0 5762.74 1230.24 5\r\n 4 8 0 9303.55 1461.64 1\r\n 4 -8 -1 9251.00 1701.91 5\r\n 4 8 1 10213.6 1658.87 1\r\n -4 8 -1 11356.2 1252.28 7\r\n -4 -8 1 10121.2 1275.22 5\r\n 4 -8 -2 4551.02 1165.75 5\r\n 4 8 2 2217.76 1191.36 1\r\n 4 8 3 565.776 1118.60 1\r\n 4 -8 -3 2828.39 1208.03 5\r\n 4 -8 -4 1144.68 984.170 5\r\n 4 8 4 1378.20 1082.54 1\r\n -4 -9 -2 80.0484 976.277 5\r\n -4 9 2 1387.56 930.456 1\r\n 4 9 -2 21.3601 1005.32 7\r\n 4 -9 1 406.768 423.443 5\r\n 4 9 -1 732.133 702.314 7\r\n -4 -9 0 705.356 428.132 5\r\n 4 -9 0 798.491 967.204 5\r\n 4 9 0 1142.91 881.077 1\r\n 4 -9 -1 1076.60 730.785 5\r\n 4 9 1 516.289 902.396 1\r\n 4 -9 -2 2258.22 937.565 5\r\n 4 9 2 994.950 781.753 1\r\n -5 0 0-33.4739 249.397 4\r\n -5 0 0-112.078 250.244 2\r\n -5 0 1 59306.2 1745.66 4\r\n -5 0 -1 55496.1 1984.09 4\r\n 5 0 -1 57929.7 1788.17 7\r\n 5 0 1 57015.5 1458.96 2\r\n -5 0 -1 54151.1 1700.25 6\r\n -5 0 1 53126.3 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7\r\n -5 1 6 985.532 445.133 4\r\n -5 -1 -6 2135.39 1247.28 5\r\n 5 1 -5 529.046 702.465 5\r\n -5 1 5 775.709 644.541 1\r\n 5 -1 5 1008.45 510.872 2\r\n 5 -1 5 216.459 1028.03 4\r\n 5 -1 5 1567.56 658.198 6\r\n -5 1 5 1207.52 746.768 2\r\n 5 1 -5 441.442 818.374 7\r\n -5 1 5 574.483 532.976 4\r\n -5 -1 -5 1531.97 1048.60 5\r\n -5 -1 -4 7483.82 1430.18 5\r\n 5 1 -4 5935.13 973.004 5\r\n 5 -1 4 7861.07 1401.81 5\r\n -5 1 4 6708.26 1162.86 5\r\n 5 -1 4 6835.30 1016.79 6\r\n -5 1 4 7541.72 964.279 4\r\n 5 -1 4 8118.50 1361.85 4\r\n -5 1 4 7030.26 1010.77 1\r\n -5 1 4 6631.60 1257.00 7\r\n -5 1 4 6731.34 1088.51 2\r\n 5 -1 4 6987.75 1160.08 7\r\n 5 1 -4 6174.01 1369.68 7\r\n 5 1 -3 5243.25 760.828 5\r\n 5 -1 3 6251.47 850.213 6\r\n 5 -1 3 7182.10 1335.16 3\r\n -5 -1 -3 6573.05 999.179 4\r\n -5 1 3 5975.03 913.117 5\r\n -5 -1 -3 6196.80 1371.21 3\r\n -5 1 3 6125.80 800.604 1\r\n -5 -1 -3 6369.61 1105.48 5\r\n -5 1 3 5620.57 655.206 4\r\n 5 -1 3 4852.87 1006.68 4\r\n 5 1 -3 5994.97 1104.88 7\r\n 5 -1 3 5248.69 897.234 7\r\n -5 1 3 6322.96 1023.34 7\r\n -5 1 3 4772.83 864.170 2\r\n 5 -1 2 43589.6 2553.69 3\r\n -5 -1 -2 44882.2 2194.20 5\r\n -5 1 2 42004.4 1963.51 7\r\n -5 -1 -2 42304.8 1967.38 4\r\n -5 1 2 44881.7 1385.23 4\r\n 5 -1 2 40664.2 1851.22 6\r\n 5 -1 2 43754.8 1859.77 7\r\n -5 1 2 40740.2 1912.30 2\r\n -5 -1 -2 43471.5 1148.70 6\r\n -5 1 2 40897.3 1721.40 1\r\n 5 1 -2 42450.2 2091.61 7\r\n 5 1 -2 42086.5 1206.82 1\r\n 5 1 -2 44916.3 1531.23 5\r\n -5 -1 -2 46090.2 2579.10 3\r\n 5 -1 1 267424. 4427.84 6\r\n -5 1 1 272849. 3150.10 4\r\n -5 1 1 267174. 3487.35 7\r\n -5 -1 -1 274134. 3056.82 2\r\n -5 -1 -1 254403. 4151.73 4\r\n -5 1 1 270845. 4248.29 2\r\n 5 -1 1 269972. 3060.41 7\r\n 5 1 -1 287616. 4324.23 7\r\n -5 -1 -1 267867. 4198.81 5\r\n 5 1 0 764951. 4953.04 5\r\n -5 1 0 768888. 7390.80 6\r\n -5 -1 0 705599. 6622.55 4\r\n 5 -1 0 841635. 3928.29 7\r\n -5 -1 0 769569. 6702.99 2\r\n -5 1 0 773285. 6334.14 4\r\n 5 -1 0 783806. 6274.54 4\r\n -5 1 -1 273105. 4709.07 4\r\n -5 -1 1 273939. 4445.79 4\r\n 5 1 1 276952. 3171.02 2\r\n 5 -1 -1 260206. 3726.50 7\r\n -5 -1 1 249369. 4560.34 2\r\n 5 -1 -1 272093. 3170.40 4\r\n -5 1 -1 279793. 4503.80 6\r\n 5 -1 -1 278011. 3990.86 1\r\n 5 1 1 256265. 4169.51 5\r\n -5 1 -2 42364.2 1888.43 6\r\n 5 1 2 40832.5 1894.30 4\r\n 5 -1 -2 45294.1 1853.16 1\r\n 5 -1 -2 43643.6 2092.86 7\r\n -5 -1 2 41768.3 2152.39 2\r\n 5 -1 -2 38285.2 1921.80 2\r\n -5 -1 2 41808.7 1351.34 5\r\n 5 -1 -2 37866.4 1820.27 5\r\n 5 1 3 6345.11 927.504 4\r\n -5 -1 3 6015.03 995.024 2\r\n 5 -1 -3 6836.81 965.859 2\r\n 5 -1 -3 5044.48 1058.88 7\r\n 5 1 3 6918.51 1172.13 3\r\n -5 -1 3 6537.61 802.511 5\r\n 5 -1 -3 4552.59 745.727 1\r\n 5 -1 -3 5220.21 893.301 5\r\n 5 -1 -4 4739.67 1049.40 5\r\n -5 -1 4 6484.77 1023.95 5\r\n 5 1 4 5680.87 1102.80 7\r\n 5 -1 -4 6703.87 1428.95 7\r\n 5 -1 -4 7616.06 1131.30 2\r\n 5 1 4 8055.10 1583.48 3\r\n -5 -1 4 7004.28 1193.28 2\r\n 5 1 4 7021.79 1139.57 4\r\n 5 -1 -5 954.377 858.969 5\r\n -5 -1 5 1485.36 796.341 5\r\n -5 -1 5 1665.72 755.249 2\r\n 5 -1 -5 1125.73 587.053 2\r\n -5 -1 5 1006.64 408.799 1\r\n 5 -1 -5 238.522 726.339 7\r\n 5 1 5 849.552 814.870 4\r\n 5 -1 -6 457.344 936.919 5\r\n -5 -1 6-731.556 665.927 2\r\n 5 1 6 997.046 858.315 4\r\n 5 -1 -6 324.796 706.293 7\r\n -5 -1 7 1564.10 784.239 2\r\n 5 -1 -7 2764.96 1302.23 5\r\n 5 1 7 4307.43 1319.63 4\r\n 5 1 7 1868.84 1174.26 1\r\n 5 -1 -7 4367.22 1402.71 7\r\n 5 -2 7 1802.94 1281.83 4\r\n -5 2 7 1832.45 1036.75 1\r\n 5 2 -7 1122.04 1278.20 7\r\n -5 -2 -7 2288.65 1424.96 5\r\n -5 2 6 2804.44 740.368 4\r\n 5 2 -6 3847.83 1579.30 7\r\n -5 -2 -6 3969.45 1413.44 5\r\n 5 -2 6 2164.22 1317.20 4\r\n -5 2 6 2432.74 973.986 1\r\n 5 -2 6 1974.51 804.722 2\r\n -5 2 6 2421.08 737.026 2\r\n -5 2 6 3838.23 801.977 6\r\n -5 -2 -5 11983.3 1923.14 5\r\n 5 -2 5 14409.6 1725.11 6\r\n -5 2 5 14446.2 1550.09 2\r\n 5 -2 5 12923.3 2025.38 4\r\n -5 2 5 12538.1 1411.23 6\r\n 5 2 -5 14762.7 1639.61 5\r\n -5 2 5 14507.2 1206.49 4\r\n -5 2 5 16231.2 1235.50 4\r\n -5 2 5 13215.8 1668.13 1\r\n 5 2 -5 15659.5 2137.82 7\r\n -5 -2 -4 8935.42 1474.19 5\r\n 5 -2 4 8432.19 1457.05 5\r\n -5 2 4 9576.15 1135.72 2\r\n -5 2 4 8687.46 763.821 4\r\n -5 2 4 8562.08 1255.35 1\r\n 5 -2 4 10863.2 1373.78 6\r\n 5 -2 4 10085.0 1594.16 4\r\n -5 2 4 9103.48 1127.39 6\r\n 5 -2 4 9337.64 1374.46 7\r\n -5 2 4 8332.59 723.481 4\r\n 5 2 -4 8396.43 1095.21 5\r\n 5 2 -4 8334.48 1460.81 7\r\n -5 2 3 33284.1 1013.08 4\r\n -5 -2 -3 37894.8 2833.57 3\r\n 5 -2 3 32642.0 1973.33 7\r\n -5 2 3 32063.3 1941.15 6\r\n -5 2 3 32380.1 2019.93 1\r\n -5 2 3 34615.1 1926.97 2\r\n 5 2 -3 34963.7 2401.87 7\r\n 5 -2 3 33681.4 2308.63 5\r\n -5 2 3 34858.9 2270.30 7\r\n 5 -2 3 34404.8 2814.54 3\r\n 5 2 -3 34974.7 1605.03 5\r\n -5 -2 -3 33646.2 2385.91 5\r\n 5 -2 3 33856.9 2173.23 6\r\n -5 -2 -3 34430.2 2016.09 4\r\n 5 -2 2 24795.3 2049.78 3\r\n -5 -2 -2 26092.1 1925.78 3\r\n -5 2 2 22807.7 1569.49 6\r\n -5 2 2 22832.2 1477.87 2\r\n -5 2 2 22678.0 656.740 4\r\n -5 -2 -2 25702.1 1540.88 4\r\n 5 2 -2 23696.1 1623.05 7\r\n 5 -2 2 24370.4 1341.99 7\r\n 5 2 -2 22537.6 646.479 1\r\n 5 -2 2 24720.7 1736.44 6\r\n -5 -2 -2 23078.3 1723.09 5\r\n -5 -2 -2 24088.6 808.752 2\r\n -5 2 2 24131.8 1555.98 7\r\n -5 -2 -1 137303. 3211.76 4\r\n 5 -2 1 132513. 1808.36 7\r\n -5 2 1 132619. 3515.47 6\r\n -5 2 1 134719. 2242.31 4\r\n -5 -2 -1 137298. 2733.48 2\r\n -5 -2 -1 131756. 3165.74 5\r\n -5 2 1 129370. 2549.20 7\r\n -5 -2 0 177217. 3701.55 4\r\n 5 -2 0 173739. 3282.51 4\r\n -5 -2 0 171073. 3653.30 2\r\n -5 2 0 170101. 4007.46 6\r\n -5 -2 0 171401. 2467.35 5\r\n 5 2 0 172226. 2449.32 5\r\n 5 -2 -1 136296. 2080.29 4\r\n 5 -2 -1 137334. 3268.99 1\r\n -5 -2 1 136224. 3729.51 2\r\n 5 -2 -1 134595. 2682.14 7\r\n -5 2 -1 135900. 3710.31 6\r\n -5 -2 1 138987. 3714.92 4\r\n 5 2 1 134845. 3203.57 4\r\n 5 2 1 139301. 3249.74 5\r\n -5 2 -1 132748. 3855.30 3\r\n 5 -2 -2 23633.2 1557.22 7\r\n -5 2 -2 22562.1 2130.66 3\r\n 5 2 2 24278.7 1468.59 4\r\n -5 -2 2 25880.8 1931.61 4\r\n -5 -2 2 24682.0 1823.40 2\r\n -5 2 -2 24265.4 1710.60 6\r\n 5 -2 -2 22772.3 1562.39 1\r\n -5 2 -2 21416.1 1270.64 7\r\n 5 2 2 24745.1 1775.77 5\r\n 5 -2 -2 22498.5 1581.37 5\r\n 5 -2 -2 23395.8 1554.37 2\r\n -5 -2 2 23685.8 860.379 5\r\n 5 2 3 33209.7 1851.70 4\r\n 5 -2 -3 37480.5 2384.98 7\r\n 5 -2 -3 38535.9 2187.40 1\r\n -5 -2 3 32511.6 2300.18 2\r\n -5 -2 3 34423.8 1580.03 5\r\n 5 -2 -3 33504.4 2060.65 2\r\n -5 2 -3 31499.4 1982.10 7\r\n 5 -2 -3 29346.4 2136.38 5\r\n 5 2 3 35826.6 2546.63 3\r\n 5 2 4 8651.62 1548.91 3\r\n -5 -2 4 7752.97 1308.44 2\r\n -5 -2 4 8564.38 1055.37 5\r\n 5 -2 -4 9211.28 1480.80 5\r\n 5 2 4 7374.57 1096.44 4\r\n 5 -2 -4 8393.66 1442.57 7\r\n 5 -2 -4 9603.80 1278.37 2\r\n -5 2 -4 9104.54 1384.05 7\r\n 5 -2 -5 12702.5 1949.31 5\r\n 5 2 5 14374.2 1680.66 4\r\n -5 -2 5 11679.4 1701.03 2\r\n 5 -2 -5 14637.2 1670.75 2\r\n 5 -2 -5 12820.8 1939.66 7\r\n -5 2 -5 12872.8 1860.17 7\r\n -5 -2 5 15423.1 1739.37 5\r\n 5 -2 -6 4393.61 1463.81 5\r\n 5 2 6 3585.73 1111.55 4\r\n -5 -2 6 2111.34 878.633 2\r\n 5 -2 -6 3366.50 1387.55 7\r\n 5 -2 -7 1499.22 1418.75 5\r\n -5 -2 7 2988.74 1012.46 2\r\n 5 2 7 1903.02 1043.23 4\r\n 5 2 7 873.493 1116.40 1\r\n -5 -3 -7 3430.36 1869.77 5\r\n -5 3 7 959.597 985.467 1\r\n 5 3 -7 2580.62 1472.86 7\r\n 5 -3 7 4544.19 1610.43 4\r\n -5 -3 -6 4882.99 1584.32 5\r\n -5 3 6 3573.52 1315.68 1\r\n 5 -3 6 5617.16 1196.49 2\r\n 5 3 -6 5844.27 1465.75 7\r\n 5 -3 6 4237.36 1511.41 4\r\n -5 -3 -5 6878.38 1599.19 5\r\n -5 3 5 6381.85 1011.49 6\r\n -5 3 5 6495.47 1364.33 1\r\n 5 -3 5 4962.06 1543.91 4\r\n 5 3 -5 4805.44 1356.07 7\r\n -5 3 4 4470.83 1110.07 1\r\n 5 -3 4 5691.62 1079.40 7\r\n -5 -3 -4 4669.49 1129.81 5\r\n 5 -3 4 6513.00 1407.72 4\r\n -5 -3 -4 6246.52 1003.86 4\r\n 5 3 -4 5086.21 1125.53 7\r\n -5 3 4 5289.48 952.729 6\r\n 5 -3 4 6698.92 1269.28 6\r\n -5 3 3 701.877 570.227 7\r\n -5 -3 -3 641.360 166.032 2\r\n 5 -3 3 1824.56 773.827 3\r\n -5 3 3 1152.09 665.787 1\r\n -5 -3 -3 766.569 779.966 3\r\n 5 3 -3 287.643 511.889 7\r\n -5 -3 -3 941.276 391.338 4\r\n 5 -3 3 550.744 426.964 7\r\n -5 -3 -3 1792.07 746.205 5\r\n 5 -3 3 668.947 610.028 6\r\n -5 3 3 1100.32 447.916 6\r\n -5 -3 -3 861.680 174.849 2\r\n 5 -3 2 13836.3 1590.41 3\r\n -5 -3 -2 12526.5 1356.87 3\r\n 5 3 -2 11117.6 457.181 1\r\n 5 -3 2 11430.9 895.401 7\r\n -5 -3 -2 11478.6 1102.39 4\r\n -5 3 2 10614.9 1120.76 7\r\n -5 3 2 11620.7 1240.08 6\r\n 5 -3 2 11696.9 1415.23 6\r\n 5 3 -2 11917.8 1287.61 7\r\n -5 -3 -2 10169.8 1249.64 5\r\n 5 -3 1 10601.4 1199.76 4\r\n -5 3 1 9872.91 1162.62 6\r\n -5 -3 -1 8772.76 963.702 4\r\n -5 3 1 9057.97 793.697 7\r\n -5 -3 -1 10724.7 1060.85 5\r\n 5 3 0 8541.54 1091.60 4\r\n -5 3 0 7995.04 426.425 7\r\n 5 -3 0 7587.43 851.793 1\r\n 5 3 0 7686.79 604.120 5\r\n -5 3 0 7769.29 1069.52 6\r\n 5 -3 0 6749.03 788.223 4\r\n -5 -3 0 7296.56 886.264 4\r\n -5 -3 0 8528.70 720.374 5\r\n -5 3 0 7355.19 822.564 3\r\n -5 3 -1 10595.4 1230.03 3\r\n 5 -3 -1 8944.90 1003.26 1\r\n -5 3 -1 8543.13 1186.28 6\r\n 5 -3 -1 9171.94 659.149 4\r\n 5 3 1 9295.35 1044.59 4\r\n -5 -3 1 9020.90 1145.93 4\r\n 5 -3 -1 9570.62 1144.09 6\r\n -5 3 -1 8722.13 527.446 7\r\n 5 3 1 9870.87 965.793 5\r\n 5 -3 -2 11924.1 1276.96 1\r\n 5 3 2 11572.1 1112.80 4\r\n -5 -3 2 12509.5 1543.66 4\r\n 5 -3 -2 11285.7 1185.02 2\r\n -5 3 -2 10912.1 1422.67 6\r\n -5 3 -2 7148.11 1341.10 3\r\n -5 -3 2 11283.3 1380.12 2\r\n 5 3 2 10808.9 1234.09 5\r\n -5 -3 2 10732.4 539.940 5\r\n 5 -3 -2 12098.0 1323.09 5\r\n -5 3 -2 10415.7 916.596 7\r\n -5 -3 3 816.956 388.895 5\r\n 5 3 3 470.299 596.155 5\r\n 5 -3 -3 1477.94 837.639 5\r\n 5 -3 -3 326.060 537.788 2\r\n 5 -3 -3 1078.56 598.779 1\r\n -5 -3 3 594.916 622.756 2\r\n 5 3 3 676.261 517.641 4\r\n -5 3 -3 514.573 488.275 7\r\n 5 -3 -4 5911.60 1251.61 5\r\n 5 -3 -4 6106.52 1048.21 2\r\n -5 -3 4 6357.81 1215.10 2\r\n -5 -3 4 5316.54 878.122 5\r\n -5 3 -4 5335.92 1074.86 7\r\n 5 3 4 6198.96 981.907 4\r\n 5 -3 -5 6713.42 1464.32 5\r\n -5 -3 5 6053.42 1102.39 5\r\n 5 3 5 5598.52 1054.66 4\r\n 5 -3 -5 6404.09 1243.83 2\r\n -5 -3 5 5331.81 1331.03 2\r\n -5 3 -5 6024.60 1328.06 7\r\n 5 -3 -6 5621.91 1609.01 5\r\n -5 3 -6 4199.20 1263.25 7\r\n -5 -3 6 4963.89 1245.90 2\r\n 5 3 6 3893.88 996.957 4\r\n 5 3 6 3321.91 1325.23 1\r\n 5 -3 -7 1958.03 1317.62 5\r\n -5 -3 7 496.355 902.088 2\r\n 5 3 7 3555.33 1335.45 1\r\n -5 -4 -6 185.958 909.043 5\r\n 5 4 -6 489.022 665.205 7\r\n -5 4 6 1913.94 1136.88 1\r\n 5 -4 6 623.940 1178.89 4\r\n -5 4 5 526.650 562.571 3\r\n 5 4 -5 1712.20 1081.61 7\r\n 5 -4 5 2319.85 1267.10 4\r\n -5 -4 -5 3061.91 1234.94 5\r\n -5 4 5 1691.66 612.412 6\r\n -5 4 5 3956.88 1098.33 1\r\n 5 -4 4 9517.39 1924.30 4\r\n -5 -4 -4 10027.2 1237.48 4\r\n -5 4 4 10662.4 1575.53 1\r\n -5 -4 -4 9059.33 1748.06 5\r\n 5 -4 4 9934.05 1343.55 7\r\n -5 4 4 10460.2 1298.67 6\r\n 5 4 -4 10490.1 1703.30 7\r\n 5 -4 3 27690.3 2712.91 3\r\n -5 4 3 29306.6 2346.28 1\r\n -5 -4 -3 26535.7 1796.05 4\r\n 5 -4 3 28843.7 1762.44 7\r\n -5 -4 -3 27202.4 1215.54 6\r\n -5 4 3 27069.1 2039.45 6\r\n 5 4 -3 26233.5 2267.56 7\r\n -5 4 3 29081.1 2293.66 7\r\n -5 -4 -3 21480.4 2202.65 5\r\n 5 -4 2 15412.8 1778.74 3\r\n -5 -4 -2 15044.4 1380.30 3\r\n -5 -4 -2 15217.3 1606.43 5\r\n 5 -4 2 15080.1 1202.78 1\r\n 5 -4 2 17357.1 1882.21 6\r\n -5 -4 -2 16578.2 1271.73 6\r\n -5 4 2 14460.9 1540.07 6\r\n 5 4 -2 16258.3 733.890 1\r\n 5 4 -2 15412.2 1557.70 7\r\n -5 4 2 18420.3 1534.19 7\r\n -5 -4 -2 15626.5 1324.97 4\r\n 5 -4 1 13630.8 1193.87 1\r\n -5 -4 -1 15274.3 1340.90 4\r\n -5 4 1 15396.1 1586.24 6\r\n -5 4 1 13537.8 1053.72 7\r\n 5 4 -1 12358.5 932.540 1\r\n -5 -4 -1 13886.4 1296.10 5\r\n 5 -4 0 15563.1 1362.33 1\r\n -5 -4 0 12758.8 996.206 5\r\n -5 4 0 12974.1 1537.66 6\r\n -5 4 0 15886.0 1201.49 3\r\n -5 -4 0 15456.1 1461.09 4\r\n 5 -4 -1 12873.4 1356.56 1\r\n -5 -4 1 15256.6 1624.08 4\r\n 5 4 1 15288.8 1518.95 4\r\n 5 -4 -1 14651.3 1005.16 4\r\n -5 4 -1 15950.5 815.671 7\r\n -5 4 -1 14458.7 1703.06 6\r\n -5 4 -1 16125.0 1600.28 3\r\n -5 -4 1 14747.7 789.286 5\r\n 5 -4 -1 16104.3 1589.23 6\r\n 5 4 1 14486.4 1237.96 5\r\n 5 -4 -2 16022.7 1492.41 2\r\n -5 4 -2 16601.6 1162.12 7\r\n -5 -4 2 15374.9 743.746 5\r\n -5 -4 2 12835.7 1918.34 4\r\n 5 4 2 14752.2 1397.22 4\r\n 5 -4 -2 15269.7 1530.80 6\r\n 5 -4 -2 18535.0 1706.02 1\r\n 5 4 2 16655.5 1612.67 5\r\n 5 -4 -2 17476.8 1719.97 5\r\n 5 4 3 25879.8 1755.00 4\r\n -5 -4 3 26204.9 1309.26 5\r\n 5 -4 -3 27407.8 2097.30 2\r\n -5 -4 3 23918.7 2350.64 2\r\n -5 4 -3 25634.0 1841.40 7\r\n 5 -4 -3 24080.1 2251.86 5\r\n 5 -4 -4 12867.1 1891.34 5\r\n -5 -4 4 10532.7 1788.27 2\r\n 5 -4 -4 10692.4 1435.52 2\r\n 5 4 4 13172.8 1325.99 4\r\n -5 4 -4 10179.4 1452.08 7\r\n -5 -4 4 8910.64 1011.36 5\r\n 5 -4 -5 2982.59 1159.08 5\r\n 5 4 5 2700.48 772.557 4\r\n 5 -4 -5 3540.65 1011.82 2\r\n -5 -4 5 1691.54 1009.78 2\r\n -5 4 -5 2305.76 861.341 7\r\n 5 4 5 2355.49 1191.63 1\r\n 5 -4 -6 1962.57 1210.60 5\r\n -5 -4 6 1339.47 1005.80 2\r\n -5 4 -6 1204.68 999.886 7\r\n 5 4 6 1688.78 1024.35 1\r\n -5 -5 -6 714.661 715.343 5\r\n 5 -5 6 2797.45 1373.66 4\r\n -5 5 6 508.553 1297.38 1\r\n 5 5 -6 1518.14 1182.50 7\r\n -5 -5 -5 1598.76 917.943 5\r\n -5 5 5 1987.62 1115.74 1\r\n 5 5 -5 577.687 1051.59 7\r\n -5 5 5 1899.26 527.577 6\r\n -5 -5 -4 631.702 602.887 4\r\n 5 -5 4 1777.78 840.101 7\r\n -5 5 4 1686.30 956.752 1\r\n 5 -5 4 1353.74 482.316 1\r\n -5 -5 -4 1046.03 906.077 5\r\n -5 5 4 1339.51 797.852 3\r\n -5 5 4 826.522 547.857 6\r\n 5 5 -4 1070.83 729.919 7\r\n -5 -5 -4 1499.47 399.728 2\r\n -5 -5 -3 1549.36 883.921 5\r\n -5 5 3 1519.08 733.876 7\r\n 5 -5 3 2434.00 895.494 3\r\n -5 5 3-1115.29 656.636 3\r\n 5 -5 3 1943.37 543.970 1\r\n -5 -5 -3 2168.45 575.459 6\r\n -5 5 3 1358.72 1000.28 1\r\n -5 5 3 1607.57 711.162 6\r\n 5 5 -3 615.244 696.779 7\r\n -5 -5 -3 1720.67 592.499 4\r\n 5 -5 2 17864.6 1932.49 3\r\n -5 -5 -2 19116.2 1504.24 3\r\n -5 -5 -2 18872.6 1663.36 6\r\n -5 -5 -2 16005.3 1817.81 5\r\n 5 5 -2 18540.0 990.156 1\r\n 5 -5 2 16247.6 1390.09 1\r\n -5 -5 -2 19130.2 1589.96 4\r\n -5 5 2 16152.0 1817.56 1\r\n 5 5 -2 16833.5 1747.83 7\r\n -5 5 2 18997.8 1689.29 7\r\n -5 5 2 18040.0 1891.09 6\r\n -5 5 1 68066.3 1608.66 3\r\n 5 -5 1 69907.5 2915.37 1\r\n -5 5 1 73483.9 3228.64 1\r\n -5 -5 -1 73195.2 3451.68 6\r\n -5 5 1 70953.2 3627.02 6\r\n -5 5 1 69312.5 2545.64 7\r\n -5 -5 -1 69130.7 3082.07 4\r\n -5 -5 -1 72754.3 3148.54 5\r\n 5 5 -1 69533.3 2459.64 1\r\n 5 -5 0 11709.7 1363.46 1\r\n -5 -5 0 14800.9 1587.73 4\r\n 5 -5 0 13953.6 1714.66 6\r\n -5 5 0 8880.12 1487.58 6\r\n 5 5 0 10611.6 1203.83 1\r\n -5 -5 0 11346.4 1110.58 5\r\n 5 -5 -1 71759.8 2556.52 4\r\n 5 -5 -1 73702.9 3668.77 6\r\n -5 -5 1 75206.1 3827.99 4\r\n -5 5 -1 70391.3 1922.67 7\r\n -5 5 -1 75009.2 4007.12 6\r\n 5 5 1 72142.5 3216.25 1\r\n -5 -5 1 67392.2 2076.46 5\r\n 5 -5 -1 70633.0 3317.19 1\r\n 5 5 2 18720.1 1737.19 5\r\n 5 -5 -2 16465.1 691.278 4\r\n 5 -5 -2 16352.8 688.353 4\r\n 5 5 2 17586.8 1720.58 4\r\n 5 -5 -2 17632.2 1835.88 6\r\n 5 5 2 19903.4 1948.27 1\r\n 5 -5 -2 15787.8 1699.48 2\r\n 5 -5 -2 18914.5 1965.53 5\r\n -5 5 -2 17570.3 1260.78 7\r\n -5 -5 2 18177.2 917.097 5\r\n 5 -5 -3 1691.17 888.494 5\r\n -5 5 -3 1682.00 640.448 7\r\n -5 -5 3 2014.71 429.083 5\r\n 5 -5 -3 1003.29 711.286 2\r\n 5 5 3 679.719 667.116 1\r\n 5 5 3 1756.07 718.105 4\r\n -5 -5 4 2040.89 516.521 5\r\n 5 -5 -4 2316.99 1091.84 5\r\n 5 5 4 1223.50 950.757 1\r\n -5 -5 4 1740.38 855.971 2\r\n -5 5 -4 694.351 586.883 7\r\n 5 5 4 1866.03 668.647 4\r\n 5 -5 -4 136.139 891.152 2\r\n 5 -5 -5 1795.94 996.348 5\r\n -5 -5 5 112.377 685.944 2\r\n 5 5 5-523.374 785.039 1\r\n -5 5 -5 536.565 439.323 7\r\n 5 5 5 719.899 599.975 4\r\n 5 -5 -6 1466.11 1194.91 5\r\n -5 5 -6-807.211 865.413 7\r\n -5 -5 6 3496.08 1075.08 2\r\n 5 5 6 1008.65 1334.97 1\r\n 5 -6 5 1821.51 1252.85 4\r\n 5 6 -5 351.503 1037.53 7\r\n -5 -6 -5 399.881 1119.52 5\r\n -5 6 5 1814.53 980.995 1\r\n -5 -6 -4 6088.44 1471.18 5\r\n 5 6 -4 5169.76 1375.52 7\r\n -5 6 4 5921.05 1385.97 1\r\n -5 6 4 4760.92 966.250 6\r\n -5 6 3 2275.99 396.580 3\r\n -5 6 3 2455.18 1049.46 1\r\n 5 6 -3 2104.75 927.688 7\r\n 5 -6 3 3310.49 591.789 1\r\n -5 -6 -3 3715.09 831.582 4\r\n -5 6 3 4179.71 1050.50 6\r\n -5 -6 -3 2436.17 767.540 6\r\n -5 -6 -3 4266.77 1116.24 5\r\n -5 6 2 8907.84 1414.02 1\r\n 5 -6 2 7956.01 1080.84 1\r\n -5 -6 -2 9090.68 1205.35 4\r\n 5 6 -2 9128.14 852.857 1\r\n -5 6 2 7312.02 1188.70 7\r\n 5 6 -2 7375.19 1290.60 7\r\n -5 -6 -2 8718.04 1270.19 6\r\n -5 -6 -2 7663.70 1400.47 5\r\n -5 6 2 7098.80 1362.02 6\r\n -5 -6 -1 671.159 250.102 3\r\n -5 -6 -1-47.4235 604.878 5\r\n -5 6 1 523.250 633.770 6\r\n 5 6 -1 193.549 488.409 1\r\n -5 6 1 615.703 727.284 1\r\n 5 -6 1 138.539 431.697 1\r\n -5 -6 -1-794.031 620.926 6\r\n -5 -6 -1 725.337 582.117 4\r\n -5 6 1 423.240 425.743 7\r\n -5 6 0 9550.70 1627.26 6\r\n -5 -6 0 6769.39 1299.84 4\r\n 5 6 0 6196.17 1085.64 1\r\n -5 -6 0 7802.82 1006.64 5\r\n -5 -6 1 130.460 251.421 5\r\n 5 -6 -1 1271.74 833.958 5\r\n 5 -6 -1 667.868 518.533 4\r\n -5 6 -1 312.464 248.542 7\r\n 5 6 1 1215.39 705.940 1\r\n 5 -6 -2 7804.53 1438.79 5\r\n 5 -6 -2 8006.39 666.716 4\r\n -5 6 -2 7876.81 999.929 7\r\n 5 6 2 7726.93 1474.79 1\r\n 5 -6 -2 8677.05 688.038 4\r\n -5 -6 2 8138.70 762.426 5\r\n 5 -6 -3 2830.04 1035.86 5\r\n -5 -6 3 3648.85 577.182 5\r\n -5 6 -3 3521.37 711.047 7\r\n 5 6 3 2736.39 1081.89 1\r\n 5 -6 -4 4195.47 1427.76 5\r\n -5 6 -4 3582.89 1015.01 7\r\n -5 -6 4 4041.68 1344.47 2\r\n 5 6 4 2904.59 1331.68 1\r\n 5 6 4 3881.81 1019.17 4\r\n -5 -6 5 591.180 821.673 2\r\n -5 6 -5 1245.97 715.041 7\r\n 5 -6 -5 911.104 1164.59 5\r\n 5 6 5 1708.87 1057.09 1\r\n -5 -7 -5 1981.84 1345.91 5\r\n 5 7 -5 5272.43 1304.39 7\r\n 5 -7 5 2386.11 1471.11 4\r\n -5 7 5 1021.11 1116.23 1\r\n -5 7 4 364.712 822.281 1\r\n -5 -7 -4 1958.68 1133.02 5\r\n 5 7 -4 1092.72 928.178 7\r\n -5 -7 -3 1883.26 1005.45 5\r\n 5 7 -3 866.995 711.129 7\r\n -5 7 3 2333.90 1139.71 1\r\n -5 -7 -2-278.163 528.865 5\r\n -5 7 2-1085.17 719.204 1\r\n 5 -7 2 102.115 266.241 1\r\n 5 7 -2 75.4463 389.180 1\r\n 5 7 -2 591.045 692.225 7\r\n -5 7 2 2262.24 679.593 7\r\n -5 -7 -2-386.511 763.664 6\r\n -5 -7 -2 1341.82 477.742 4\r\n -5 -7 -1 1613.72 796.493 5\r\n -5 7 1 2086.63 879.306 1\r\n -5 7 1 2191.22 615.117 7\r\n 5 7 -1 1832.15 696.358 1\r\n -5 -7 0 3583.24 820.777 5\r\n 5 7 0 3537.30 919.660 1\r\n -5 -7 1 2073.44 623.016 5\r\n 5 7 1 1417.02 773.349 1\r\n -5 7 -1 2013.94 522.220 7\r\n 5 -7 -1 2335.23 916.180 5\r\n 5 -7 -1 1997.72 715.492 4\r\n 5 -7 -1 1431.40 743.828 4\r\n -5 -7 2-329.027 342.946 5\r\n 5 -7 -2 1195.71 809.494 5\r\n -5 7 -2 804.155 422.446 7\r\n 5 -7 -2 1007.55 293.610 4\r\n 5 7 2 316.680 770.648 1\r\n 5 -7 -3 2338.93 982.743 5\r\n -5 7 -3 2215.23 749.481 7\r\n 5 7 3 2887.48 1315.98 1\r\n 5 -7 -4-106.324 1298.53 5\r\n -5 -7 4 880.775 842.201 2\r\n 5 7 4 526.943 913.092 1\r\n -5 -7 5 650.058 1120.22 2\r\n 5 -7 -5 763.588 1222.75 5\r\n 5 7 5-936.439 1322.06 1\r\n -5 -8 -4 4519.21 1680.86 5\r\n -5 8 4 2705.47 1395.22 1\r\n 5 8 -4 2407.21 1193.47 7\r\n -5 -8 -3 1088.11 1064.12 5\r\n -5 8 3 445.127 948.166 1\r\n 5 8 -3 798.903 999.635 7\r\n -5 -8 -2 288.708 864.994 5\r\n -5 8 2 2322.56 1057.74 1\r\n 5 8 -2 1375.02 907.356 7\r\n -5 -8 -1 2850.66 916.001 5\r\n 5 8 -1 2081.86 725.568 1\r\n 5 -8 0 1148.36 757.403 5\r\n -5 -8 0 379.292 405.414 5\r\n -5 8 0 221.080 499.503 7\r\n 5 8 0 171.390 624.095 1\r\n -5 -8 1 3327.83 826.708 5\r\n 5 -8 -1 3758.41 1274.88 5\r\n 5 8 1 3182.69 1161.39 1\r\n 5 -8 -1 4270.50 1037.19 4\r\n 5 8 2-218.277 927.136 1\r\n 5 -8 -2 200.417 1048.88 5\r\n 5 -8 -3 1729.23 853.923 5\r\n 5 8 3 195.770 747.046 1\r\n 5 -8 -4 2308.77 1464.38 5\r\n 5 8 4 3879.42 1504.45 1\r\n -5 -8 4 4297.78 1510.68 2\r\n -5 -9 -2-145.430 1146.88 5\r\n 5 9 -2-313.021 730.103 7\r\n -5 9 2 1496.36 638.837 1\r\n -5 -9 -1 1316.98 860.536 5\r\n 5 9 -1-250.912 1108.26 7\r\n 5 9 0 2003.63 1032.40 1\r\n 5 -9 0 1709.49 984.830 5\r\n 5 -9 0 1467.61 981.539 4\r\n 5 -9 -1-4.44901 608.440 5\r\n 5 9 1 147.244 657.593 1\r\n 5 9 2-427.828 761.169 1\r\n 5 -9 -2 321.451 583.531 5\r\n -6 0 0 5371.61 636.016 2\r\n -6 0 0 3840.96 525.545 4\r\n -6 0 1 117199. 3086.18 2\r\n -6 0 1 108564. 2557.15 7\r\n -6 0 -1 117673. 3057.13 4\r\n -6 0 1 120917. 2708.70 4\r\n 6 0 -1 118790. 2747.91 4\r\n -6 0 -1 117910. 2245.22 2\r\n -6 0 -1 112709. 2712.41 6\r\n 6 0 1 111694. 2300.75 2\r\n 6 0 -1 123343. 2699.57 7\r\n -6 0 2-237.205 345.311 2\r\n 6 0 -2-54.0189 314.080 5\r\n 6 0 -2 116.797 223.122 1\r\n 6 0 -2-573.886 456.233 7\r\n -6 0 -2 245.530 170.930 4\r\n -6 0 -2 37.6145 228.727 6\r\n 6 0 2 119.258 157.894 2\r\n -6 0 2-112.006 302.507 4\r\n 6 0 3 6328.36 1225.16 3\r\n 6 0 -3 3616.56 728.935 5\r\n -6 0 3 3998.04 894.817 2\r\n -6 0 3 4919.95 748.721 5\r\n 6 0 -3 4144.03 646.044 1\r\n -6 0 3 5326.65 807.529 4\r\n 6 0 -3 4832.04 1017.31 7\r\n 6 0 3 4703.16 957.939 4\r\n 6 0 -3 3579.25 804.967 2\r\n 6 0 3 4429.64 607.550 6\r\n -6 0 -3 5038.67 651.039 6\r\n 6 0 3 4776.98 838.254 7\r\n -6 0 4 7744.55 1213.63 2\r\n 6 0 4 9961.60 1782.37 3\r\n 6 0 -4 8356.47 1488.14 7\r\n 6 0 4 8268.29 676.392 2\r\n 6 0 4 7808.70 1235.33 7\r\n 6 0 4 8643.58 1320.12 4\r\n -6 0 4 9288.20 1240.74 4\r\n 6 0 -4 10227.2 1360.48 2\r\n 6 0 -4 9650.94 1324.09 5\r\n 6 0 4 9038.20 860.107 6\r\n -6 0 4 9439.72 967.215 1\r\n -6 0 4 8338.31 1164.63 5\r\n -6 0 5 52891.1 3380.98 4\r\n 6 0 5 52362.8 1622.05 2\r\n 6 0 5 55559.4 3523.73 4\r\n -6 0 5 49550.0 3163.39 2\r\n 6 0 -5 50341.4 3832.15 7\r\n -6 0 5 52907.0 2484.48 1\r\n 6 0 5 54291.4 2058.25 6\r\n 6 0 -5 53541.5 3429.33 5\r\n 6 0 -6 3381.60 1096.49 5\r\n -6 0 6 2745.67 841.819 2\r\n 6 0 -6 2320.84 1273.82 7\r\n -6 0 6 4173.13 874.093 1\r\n 6 0 6 2246.54 945.141 4\r\n 6 0 -7 2863.60 1373.80 5\r\n -6 0 7 1528.65 1065.38 4\r\n 6 0 -7 2779.70 1332.65 7\r\n 6 0 7 2568.26 1196.73 4\r\n -6 0 7 2004.06 836.871 2\r\n -6 1 7-1412.06 871.661 1\r\n 6 -1 7 878.685 1092.44 4\r\n 6 1 -7-570.715 1292.58 7\r\n -6 1 7 230.918 305.802 2\r\n 6 1 -7-430.231 869.101 5\r\n -6 1 6 466.940 710.863 1\r\n -6 1 6 1577.73 757.697 4\r\n 6 1 -6 404.991 770.677 5\r\n 6 -1 6 1082.49 485.014 2\r\n -6 -1 -6 1104.12 968.132 5\r\n 6 1 -6 1141.93 996.812 7\r\n 6 -1 6 487.207 890.633 4\r\n -6 1 6 456.546 540.208 2\r\n 6 -1 5 3267.90 664.158 2\r\n -6 -1 -5 3923.44 1171.89 5\r\n -6 1 5 3634.73 925.310 1\r\n 6 1 -5 3545.91 1008.05 5\r\n 6 -1 5 5937.73 1450.59 4\r\n 6 -1 5 4973.25 881.459 6\r\n -6 1 5 2978.21 792.630 4\r\n 6 1 -5 5461.17 1443.66 7\r\n -6 1 5 4369.25 1071.58 2\r\n 6 -1 4 9576.73 1512.22 4\r\n -6 1 4 9288.78 1136.02 1\r\n -6 1 4 11063.1 1364.23 5\r\n 6 -1 4 9936.23 1354.60 7\r\n -6 1 4 8558.35 1257.35 2\r\n -6 1 4 8564.40 1016.65 4\r\n -6 -1 -4 10567.5 1632.36 5\r\n 6 -1 4 9144.78 1103.37 6\r\n 6 1 -4 9321.95 1235.30 5\r\n 6 1 -4 9791.71 1672.67 7\r\n 6 -1 3 27673.9 2500.85 3\r\n -6 -1 -3 21647.3 2327.36 3\r\n 6 -1 3 27542.2 1887.07 7\r\n 6 1 -3 29657.9 2154.79 2\r\n 6 -1 3 24608.9 1607.09 6\r\n -6 -1 -3 26807.6 1930.09 4\r\n 6 -1 3 26712.7 2098.04 4\r\n -6 1 3 25034.4 1362.83 4\r\n 6 1 -3 24300.3 1973.69 7\r\n -6 1 3 27959.0 1991.69 7\r\n -6 1 3 25285.3 1822.38 2\r\n -6 1 3 26355.9 1577.89 1\r\n -6 -1 -3 22960.3 1935.43 5\r\n 6 1 -3 22732.2 1470.43 5\r\n 6 1 -3 26345.2 1190.41 1\r\n -6 -1 -2 13265.7 1574.46 3\r\n 6 -1 2 15835.3 1158.02 7\r\n -6 -1 -2 15643.6 1307.62 4\r\n -6 1 2 13759.2 1237.42 2\r\n -6 1 2 15420.8 909.372 4\r\n 6 1 -2 14479.8 1300.28 7\r\n -6 -1 -2 14174.4 822.559 6\r\n 6 -1 2 14561.6 1195.47 6\r\n 6 1 -2 14075.9 794.190 1\r\n -6 -1 -2 15203.4 1378.11 5\r\n 6 1 -2 15602.1 921.834 5\r\n -6 1 2 15839.0 1218.65 7\r\n 6 -1 2 16478.6 1660.58 3\r\n -6 -1 -1 116342. 3038.87 4\r\n -6 1 1 108569. 2268.31 4\r\n -6 1 1 106210. 2279.07 7\r\n 6 1 -1 104603. 2838.73 7\r\n -6 -1 -1 116370. 2263.40 2\r\n 6 -1 1 108279. 3009.51 6\r\n -6 1 1 108789. 2926.93 2\r\n -6 1 0 188540. 3431.28 4\r\n 6 -1 0 193163. 3396.27 4\r\n -6 -1 0 197247. 3764.02 4\r\n -6 1 0 199517. 3572.43 2\r\n 6 1 0 184074. 3619.07 2\r\n -6 1 0 187716. 3998.95 6\r\n -6 -1 0 187821. 3581.34 2\r\n -6 1 -1 108375. 3114.98 4\r\n 6 -1 -1 115829. 2368.00 4\r\n -6 1 -1 110600. 3023.94 6\r\n 6 -1 -1 110993. 2653.55 1\r\n 6 -1 -1 106113. 2507.74 7\r\n -6 -1 1 118139. 3311.17 2\r\n 6 1 1 112801. 2316.80 2\r\n -6 -1 1 115380. 3004.57 4\r\n 6 1 1 114683. 2923.17 5\r\n 6 -1 -2 14214.2 1108.83 1\r\n -6 1 -2 16354.6 1496.32 4\r\n 6 1 2 16078.2 1293.31 4\r\n -6 -1 2 15782.9 1311.08 4\r\n -6 1 -2 14895.6 1204.86 6\r\n 6 -1 -2 13684.7 1248.46 7\r\n -6 -1 2 14354.6 1374.66 2\r\n 6 1 2 14409.8 581.208 2\r\n 6 -1 -2 14340.7 1290.60 2\r\n 6 -1 -2 14402.4 1170.50 5\r\n 6 -1 -3 27193.9 2100.01 7\r\n 6 -1 -3 26153.7 1666.78 1\r\n -6 -1 3 25198.5 1964.89 2\r\n 6 1 3 27542.1 1870.82 4\r\n 6 1 3 24049.4 2228.55 3\r\n 6 1 3 24551.6 1853.51 7\r\n -6 -1 3 25428.5 1977.92 4\r\n -6 1 -3 24026.4 1604.29 6\r\n 6 -1 -3 25847.0 1848.26 5\r\n 6 -1 -3 27697.6 1945.72 2\r\n -6 -1 3 28457.5 1510.34 5\r\n 6 1 4 10506.9 1632.47 3\r\n -6 -1 4 8541.25 1372.46 2\r\n 6 1 4 10359.1 1368.45 4\r\n 6 -1 -4 10686.3 1598.61 7\r\n 6 -1 -4 9834.11 1385.08 5\r\n 6 -1 -4 10658.9 1395.08 2\r\n -6 -1 4 8984.60 1533.80 4\r\n -6 -1 4 10542.2 1211.91 5\r\n 6 -1 -5 3564.43 1119.44 5\r\n -6 -1 5 3845.16 1067.35 5\r\n -6 -1 5 2999.54 1018.01 2\r\n 6 -1 -5 3694.00 1188.07 7\r\n 6 -1 -5 2246.77 827.561 2\r\n 6 1 5 4116.43 1169.60 4\r\n 6 -1 -6 1321.27 1020.64 5\r\n -6 -1 6 438.855 691.020 2\r\n 6 1 6 1267.60 885.722 4\r\n 6 -1 -6 1771.89 825.476 7\r\n 6 -1 -7-123.100 673.946 5\r\n -6 -1 7-631.832 648.018 2\r\n 6 -1 -7-2699.04 1172.31 7\r\n 6 1 7-105.855 908.608 4\r\n -6 2 7 1923.67 887.621 1\r\n 6 2 -7 2024.22 1048.81 7\r\n 6 -2 7 276.492 1194.92 4\r\n -6 -2 -7 1359.69 1297.14 5\r\n 6 -2 6 4868.72 1576.35 4\r\n -6 2 6 6134.05 1293.88 1\r\n 6 2 -6 6540.80 1781.95 7\r\n -6 2 6 4798.81 1000.83 6\r\n 6 -2 6 5673.63 1001.95 2\r\n -6 2 6 5358.93 1098.24 2\r\n -6 -2 -6 7466.27 1874.03 5\r\n 6 2 -5 220.286 924.496 7\r\n -6 -2 -5 1137.37 1054.20 5\r\n -6 2 5 1580.24 692.891 2\r\n 6 -2 5 2512.41 1215.69 4\r\n -6 2 5 2127.31 568.238 4\r\n -6 2 5 1458.38 415.145 4\r\n 6 -2 5 1488.03 885.105 6\r\n -6 2 5 1644.04 852.717 1\r\n 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-6 2 2 31104.6 1928.96 6\r\n -6 -2 -2 33697.1 1034.09 2\r\n -6 -2 -2 31742.1 1997.47 5\r\n -6 2 2 32502.6 1775.42 7\r\n -6 -2 -1 62444.5 2324.62 4\r\n -6 -2 -1 63550.9 1990.06 2\r\n -6 2 1 66054.1 2664.20 6\r\n -6 2 1 65160.8 1769.23 4\r\n 6 -2 1 66158.1 1297.48 7\r\n -6 2 1 63141.8 1760.71 7\r\n -6 -2 -1 64828.8 2292.52 5\r\n -6 -2 0 150886. 3589.39 2\r\n -6 2 0 151486. 3373.90 4\r\n 6 -2 0 151459. 3253.41 4\r\n -6 -2 0 156449. 3676.65 4\r\n -6 2 0 160126. 4099.64 6\r\n 6 2 0 159786. 2537.96 5\r\n -6 -2 0 160895. 2478.46 5\r\n -6 2 -1 64363.6 2839.31 3\r\n -6 -2 1 65880.9 2630.36 4\r\n -6 -2 1 63815.5 2685.44 2\r\n 6 -2 -1 58924.2 2253.31 1\r\n 6 -2 -1 61015.4 1617.06 4\r\n 6 2 1 58738.0 2296.35 4\r\n -6 2 -1 52842.8 2440.22 6\r\n 6 -2 -1 59519.4 1855.47 7\r\n 6 2 1 63584.6 2290.03 5\r\n -6 2 -2 35118.1 2613.38 3\r\n 6 -2 -2 35645.0 1967.90 1\r\n 6 -2 -2 29146.3 1780.20 7\r\n 6 -2 -2 29766.8 1887.31 2\r\n 6 2 2 31751.2 1784.12 4\r\n -6 2 -2 32614.4 2033.19 6\r\n -6 -2 2 35433.8 2250.65 2\r\n -6 -2 2 33018.6 2200.89 4\r\n 6 2 2 34799.7 2149.75 5\r\n 6 -2 -2 34064.8 1948.92 5\r\n 6 2 3 4877.06 1021.17 5\r\n 6 -2 -3 4387.94 868.351 2\r\n 6 -2 -3 2606.37 846.562 5\r\n -6 -2 3 1886.13 885.823 4\r\n -6 -2 3 4079.31 980.708 2\r\n 6 -2 -3 3962.67 865.558 7\r\n 6 2 3 3093.01 727.314 4\r\n 6 -2 -3 4729.93 820.880 1\r\n -6 2 -3 3571.41 1221.56 3\r\n -6 -2 3 4827.80 634.715 5\r\n 6 2 4-661.084 640.484 3\r\n 6 -2 -4-306.369 815.796 7\r\n 6 -2 -4 165.325 667.576 5\r\n -6 -2 4 368.794 485.116 5\r\n 6 -2 -4 428.156 515.788 2\r\n -6 -2 4-61.1772 577.519 2\r\n 6 2 4 261.378 579.466 4\r\n 6 -2 -5 1093.62 901.463 5\r\n -6 -2 5 1058.82 744.583 5\r\n -6 -2 5 1260.39 769.125 2\r\n 6 -2 -5 2216.19 1074.38 7\r\n 6 -2 -5 2791.43 864.695 2\r\n 6 2 5 1693.20 860.384 4\r\n 6 -2 -6 3446.89 1271.51 5\r\n 6 -2 -6 3555.26 1596.96 7\r\n -6 -2 6 5561.46 1291.65 2\r\n 6 2 6 4311.94 1166.97 4\r\n 6 -2 -7-793.829 983.227 5\r\n -6 -2 7 721.499 684.652 2\r\n 6 2 7 1927.90 1112.49 4\r\n 6 2 7 782.154 1147.75 1\r\n -6 3 7 592.229 997.317 1\r\n 6 -3 7 576.846 1298.79 4\r\n 6 3 -7 427.332 932.940 7\r\n -6 -3 -7-3132.16 1666.62 5\r\n 6 3 -6 1410.37 946.095 7\r\n -6 3 6-2166.47 1190.88 1\r\n 6 -3 6 906.316 1175.17 4\r\n -6 -3 -6-1813.52 1099.33 5\r\n 6 -3 6 694.876 494.072 2\r\n -6 -3 -5 3102.87 1209.08 5\r\n -6 3 5 3571.84 933.900 6\r\n -6 3 5 3920.21 1179.87 1\r\n 6 -3 5 4300.02 1403.14 4\r\n 6 3 -5 4469.02 1256.10 7\r\n -6 -3 -4-1103.96 812.534 5\r\n 6 -3 4-82.4357 974.651 4\r\n -6 3 4 12.9295 568.049 6\r\n -6 -3 -4 150.879 176.514 4\r\n 6 -3 4 534.812 628.420 7\r\n 6 -3 4-52.4258 629.974 6\r\n 6 3 -4 241.137 747.716 7\r\n -6 3 4-12.8068 587.025 1\r\n 6 -3 3 26892.4 2595.14 3\r\n -6 -3 -3 24548.2 2363.15 3\r\n 6 3 -3 25140.1 2159.69 7\r\n 6 -3 3 28338.7 2469.52 4\r\n -6 -3 -3 25448.6 1841.34 4\r\n -6 3 3 25091.2 1967.05 1\r\n -6 3 3 25618.9 2046.19 7\r\n 6 -3 3 25230.1 1677.70 7\r\n -6 3 3 23399.1 1858.20 6\r\n 6 -3 3 28305.8 2306.78 6\r\n -6 -3 -3 27934.3 2307.67 5\r\n 6 3 -2 21451.6 1704.00 7\r\n 6 -3 2 20296.6 1911.35 3\r\n -6 -3 -2 20087.4 1741.61 3\r\n -6 3 2 18351.4 1405.73 7\r\n -6 3 2 18332.2 1609.76 6\r\n -6 -3 -2 20250.4 1152.35 2\r\n -6 -3 -2 20851.9 1535.50 4\r\n 6 -3 2 24065.5 2018.49 6\r\n -6 -3 -2 19599.1 1737.86 5\r\n 6 -3 2 20849.5 1117.82 7\r\n 6 -3 1 17768.1 1550.14 4\r\n -6 3 1 16877.8 1533.06 6\r\n -6 -3 -1 17120.8 1348.30 4\r\n -6 3 1 16993.2 998.922 7\r\n -6 -3 -1 16401.3 1291.03 5\r\n 6 -3 0 2393.07 506.407 1\r\n -6 -3 0 2874.51 458.037 5\r\n 6 -3 0 2801.26 576.490 4\r\n -6 3 0 2381.44 706.686 6\r\n -6 -3 0 2281.65 620.626 4\r\n -6 -3 0 2742.77 684.964 2\r\n 6 3 0 2286.03 760.733 4\r\n 6 3 0 3316.20 422.712 5\r\n -6 3 -1 17703.0 1609.63 3\r\n -6 3 -1 14739.8 1534.26 6\r\n 6 -3 -1 17350.5 1416.63 1\r\n 6 -3 -1 16806.6 941.080 4\r\n 6 -3 -1 14182.6 1446.80 6\r\n -6 -3 1 15093.9 1480.32 4\r\n -6 -3 1 15693.1 1553.62 2\r\n 6 3 1 16696.4 1397.85 4\r\n 6 3 1 16508.4 1235.38 5\r\n 6 -3 -2 19500.3 1636.19 1\r\n -6 3 -2 20471.4 2109.81 3\r\n 6 -3 -2 20472.5 1643.79 2\r\n -6 -3 2 21698.7 1917.65 2\r\n -6 3 -2 17225.5 1727.81 6\r\n -6 3 -2 18561.1 1153.59 7\r\n -6 -3 2 20652.3 1890.10 4\r\n 6 3 2 19907.4 1706.54 5\r\n 6 3 2 20752.6 1496.08 4\r\n 6 -3 -2 19646.7 1666.13 5\r\n 6 3 3 23093.9 1689.29 4\r\n -6 3 -3 24451.7 1722.23 7\r\n 6 -3 -3 23572.8 2072.13 5\r\n -6 -3 3 25818.8 2352.36 2\r\n -6 -3 3 26526.9 2428.83 4\r\n 6 -3 -3 23534.7 1879.53 2\r\n 6 -3 -3 22844.8 1928.44 1\r\n -6 -3 3 25385.7 1170.09 5\r\n 6 3 3 28685.9 2284.92 5\r\n -6 -3 4-246.730 649.326 2\r\n 6 -3 -4 358.532 674.442 5\r\n -6 -3 4 474.851 455.421 5\r\n 6 -3 -4-19.5367 446.280 2\r\n 6 3 4 400.229 539.268 4\r\n -6 3 -4 304.964 553.339 7\r\n -6 -3 5 3789.59 886.301 5\r\n 6 -3 -5 2270.93 1058.79 2\r\n -6 -3 5 3607.24 1338.96 2\r\n 6 -3 -5 4366.57 1297.78 5\r\n 6 3 5 2800.81 884.971 4\r\n -6 3 -5 5619.87 1428.15 7\r\n 6 -3 -6 1336.22 908.537 5\r\n -6 -3 6-112.608 787.423 2\r\n 6 3 6-114.982 656.800 4\r\n -6 -3 7-19.3460 1063.85 2\r\n 6 3 7-66.0954 859.830 1\r\n 6 -4 6 256.263 1268.72 4\r\n -6 4 6 393.180 1077.93 1\r\n -6 -4 -6 16.0508 1090.57 5\r\n 6 4 -6 1758.69 1007.16 7\r\n -6 -4 -5 616.151 790.897 5\r\n -6 4 5 1375.79 853.460 1\r\n -6 4 5 2427.42 619.109 6\r\n 6 4 -5 1570.79 912.866 7\r\n 6 -4 5 2759.36 1249.11 4\r\n -6 -4 -4 1735.97 916.549 5\r\n 6 4 -4 3701.66 1164.40 7\r\n -6 -4 -4 2694.56 853.914 4\r\n -6 4 4 1906.20 1041.66 1\r\n 6 -4 4 4514.29 1007.48 7\r\n 6 -4 4 4264.80 1417.22 4\r\n -6 4 4 2466.53 891.588 6\r\n -6 -4 -3 629.135 716.680 3\r\n -6 -4 -3 589.602 591.555 5\r\n 6 -4 3 441.908 555.979 3\r\n -6 4 3 133.896 464.515 6\r\n 6 -4 3 795.994 479.610 7\r\n 6 -4 3-37.4288 703.692 4\r\n -6 4 3 876.707 504.820 7\r\n 6 4 -3 558.411 662.214 7\r\n -6 4 3 521.432 696.030 1\r\n -6 -4 -3 229.206 220.677 6\r\n -6 -4 -3 386.858 461.906 4\r\n -6 -4 -2 4254.74 996.849 5\r\n -6 4 2 6103.96 894.889 7\r\n -6 -4 -2 4946.30 980.848 3\r\n 6 -4 2 5479.25 1159.72 4\r\n 6 4 -2 5787.04 1108.61 7\r\n -6 -4 -2 5382.56 866.074 4\r\n 6 -4 2 4610.24 1115.68 6\r\n -6 4 2 5766.47 1073.96 6\r\n 6 -4 2 5501.90 774.511 1\r\n 6 4 -2 4930.84 465.872 1\r\n 6 -4 2 4387.47 1006.56 3\r\n 6 -4 1 27649.9 2096.05 4\r\n 6 -4 1 26092.2 1696.69 1\r\n -6 -4 -1 31096.8 1979.87 4\r\n -6 4 1 28923.3 1472.53 7\r\n -6 4 1 27894.6 2142.05 6\r\n -6 -4 -1 26545.6 1767.36 5\r\n -6 4 0 6084.46 843.968 3\r\n 6 -4 0 7104.17 1000.37 1\r\n -6 4 0 6977.78 485.044 7\r\n 6 -4 0 6339.30 909.667 4\r\n -6 4 0 6291.27 1121.16 6\r\n -6 -4 0 6127.84 974.746 4\r\n -6 -4 0 7047.67 757.418 5\r\n 6 -4 -1 27378.3 1939.58 1\r\n -6 4 -1 28103.1 905.373 7\r\n 6 -4 -1 29231.1 1419.17 4\r\n 6 -4 -1 28670.2 2165.95 6\r\n -6 -4 1 27570.3 971.902 5\r\n -6 4 -1 31320.7 2428.19 6\r\n 6 4 1 29280.4 2093.12 4\r\n -6 -4 1 27819.9 2180.04 4\r\n -6 4 -1 31705.4 2233.44 3\r\n 6 4 1 30809.7 1754.89 5\r\n 6 4 2 5933.81 983.339 5\r\n 6 -4 -2 4968.64 1040.31 5\r\n 6 -4 -2 6882.70 1144.63 1\r\n -6 4 -2 6749.06 748.582 7\r\n -6 4 -2 5280.32 1149.71 6\r\n -6 -4 2 6278.90 1265.11 2\r\n 6 -4 -2 5696.36 991.539 2\r\n 6 4 2 4714.88 867.533 4\r\n -6 -4 2 5808.00 1204.70 4\r\n -6 4 -3 687.631 479.317 7\r\n -6 -4 3 650.268 267.043 5\r\n 6 -4 -3 93.0072 610.931 5\r\n 6 4 3 843.274 570.765 4\r\n 6 -4 -3 723.326 465.301 2\r\n -6 -4 3 832.229 739.075 2\r\n 6 -4 -4 2845.67 838.316 2\r\n -6 -4 4 4010.16 673.455 5\r\n 6 -4 -4 3247.66 1227.11 5\r\n 6 4 4 4363.55 963.124 4\r\n -6 4 -4 3561.81 911.593 7\r\n -6 -4 4 3404.93 1130.63 2\r\n 6 -4 -5 537.544 718.483 5\r\n 6 4 5 1528.22 593.729 4\r\n -6 -4 5 268.885 592.629 2\r\n -6 4 -5 1221.10 844.255 7\r\n 6 -4 -6 184.710 1088.93 5\r\n -6 4 -6 1852.80 1181.61 7\r\n 6 4 6-536.329 1320.89 1\r\n -6 -4 6 1508.89 900.126 2\r\n 6 5 -6 5465.60 1462.09 7\r\n 6 -5 6 2724.15 1848.99 4\r\n -6 5 6 1731.53 1337.80 1\r\n -6 -5 -6 4029.66 1394.98 5\r\n 6 5 -5 432.382 414.506 7\r\n -6 5 5 1220.00 742.095 1\r\n -6 5 5 1677.38 562.892 6\r\n 6 -5 5 623.864 1152.62 4\r\n 6 -5 4 3275.12 1001.84 7\r\n 6 -5 4 4840.97 752.631 1\r\n -6 -5 -4 4724.17 568.373 2\r\n -6 5 4 4916.67 1328.61 1\r\n 6 5 -4 5564.30 1402.53 7\r\n -6 -5 -4 4713.71 1455.01 5\r\n 6 -5 4 4916.35 1453.00 4\r\n -6 5 4 4481.61 956.767 6\r\n -6 -5 -4 4012.49 821.649 4\r\n -6 -5 -3 1101.27 804.528 5\r\n -6 -5 -3-1241.24 877.324 3\r\n -6 -5 -3 1305.51 586.866 4\r\n -6 -5 -3 1733.82 534.561 6\r\n -6 5 3 1664.66 764.522 6\r\n 6 5 -3 2257.02 876.021 7\r\n -6 5 3 1409.56 674.516 7\r\n -6 5 3 2553.09 974.773 1\r\n 6 -5 3 1427.28 437.602 1\r\n -6 -5 -2 9329.32 1178.19 3\r\n -6 -5 -2 8396.48 1349.46 5\r\n 6 5 -2 9811.54 759.047 1\r\n 6 -5 2 9286.84 1127.31 1\r\n -6 -5 -2 8811.32 1172.38 4\r\n -6 5 2 9830.88 1406.79 1\r\n 6 5 -2 10631.0 1471.59 7\r\n -6 -5 -2 9262.59 1222.46 6\r\n -6 5 2 10749.0 1294.26 7\r\n -6 5 2 8666.06 1355.98 6\r\n -6 5 1 8330.91 765.837 3\r\n -6 5 1 7919.24 1224.21 1\r\n 6 -5 1 8298.26 1143.11 1\r\n -6 -5 -1 8646.31 1164.00 4\r\n -6 5 1 7779.33 1401.99 6\r\n -6 -5 -1 7225.63 1109.75 5\r\n -6 5 1 6731.98 848.157 7\r\n 6 5 -1 8876.61 989.467 1\r\n 6 -5 0 9651.41 1220.40 1\r\n -6 5 0 9431.57 1561.00 6\r\n 6 -5 0 10433.6 1314.04 4\r\n -6 5 0 9782.33 1068.01 3\r\n -6 -5 0 10571.2 1346.54 4\r\n 6 -5 0 8562.84 1469.59 6\r\n -6 -5 0 8830.92 1008.69 5\r\n 6 -5 -1 8734.55 1269.40 1\r\n 6 -5 -1 7357.81 900.958 4\r\n 6 -5 -1 8118.88 1321.87 6\r\n -6 5 -1 7743.56 609.462 7\r\n -6 5 -1 8505.50 1470.81 6\r\n -6 -5 1 7424.62 1366.16 4\r\n -6 -5 1 7294.93 722.626 5\r\n 6 -5 -2 9569.31 1530.38 5\r\n 6 -5 -2 8905.72 504.112 4\r\n -6 5 -2 9482.81 881.961 7\r\n 6 -5 -2 9636.25 545.652 4\r\n 6 5 2 10692.5 1445.31 4\r\n -6 -5 2 8637.48 524.990 5\r\n 6 -5 -2 11443.3 1422.02 2\r\n 6 -5 -2 8578.35 1351.77 6\r\n -6 -5 2 9732.75 551.929 5\r\n 6 5 2 9994.80 1336.20 5\r\n -6 -5 3 1118.39 258.794 5\r\n 6 -5 -3 2234.15 899.000 5\r\n 6 5 3 1733.49 694.355 4\r\n -6 -5 3 1665.67 926.019 2\r\n -6 5 -3 1286.38 654.194 7\r\n 6 -5 -4 5153.52 1464.85 5\r\n 6 5 4 4988.55 953.834 4\r\n -6 5 -4 4729.74 1023.40 7\r\n -6 -5 4 4978.10 1410.97 2\r\n 6 5 4 6195.11 1485.32 1\r\n 6 -5 -5-483.702 870.638 5\r\n 6 5 5 45.3204 843.531 1\r\n -6 5 -5 779.385 575.885 7\r\n -6 -5 5 490.516 578.236 2\r\n 6 5 5 373.807 483.810 4\r\n 6 -5 -6 2517.10 1556.22 5\r\n -6 -5 6 1876.47 1261.91 2\r\n -6 5 -6 2141.88 1235.99 7\r\n 6 5 6 2415.81 1244.22 1\r\n -6 -6 -5-861.705 959.490 5\r\n 6 -6 5 2201.66 1360.34 4\r\n -6 6 5 2264.72 1137.07 1\r\n 6 6 -5 244.612 1195.11 7\r\n -6 -6 -4 1491.72 894.441 5\r\n 6 6 -4-380.005 819.598 7\r\n 6 -6 4 968.880 876.275 4\r\n -6 6 4 536.878 922.544 1\r\n -6 6 4 2567.15 840.609 6\r\n -6 -6 -3 714.489 771.774 5\r\n -6 6 3 1079.89 738.432 1\r\n -6 -6 -3 1781.86 603.786 4\r\n 6 -6 3 722.370 420.875 1\r\n 6 6 -3 898.877 709.979 7\r\n -6 -6 -3 1083.30 551.065 6\r\n -6 6 3 452.897 495.290 6\r\n -6 6 3 1871.48 733.230 7\r\n -6 -6 -2 8819.83 1035.12 3\r\n -6 -6 -2 8480.00 1431.11 5\r\n 6 -6 2 8141.02 1107.03 1\r\n 6 6 -2 9400.41 863.602 1\r\n -6 -6 -2 8817.80 1244.62 4\r\n -6 6 2 8620.28 1512.72 6\r\n -6 6 2 7473.44 1303.77 1\r\n 6 6 -2 9329.21 1480.13 7\r\n -6 6 2 8720.65 1263.40 7\r\n -6 -6 -2 8546.39 1314.69 6\r\n 6 6 -1 1225.87 554.644 1\r\n -6 -6 -1 689.600 608.331 5\r\n 6 -6 1 438.795 344.346 1\r\n -6 6 1 979.199 475.276 7\r\n -6 6 1 629.165 557.079 6\r\n -6 -6 -1 2108.21 641.081 4\r\n -6 6 1 417.547 603.740 1\r\n -6 -6 -1 1053.24 587.600 6\r\n -6 -6 0 1649.18 564.815 5\r\n 6 -6 0 2530.96 854.211 4\r\n -6 6 0 3112.10 1041.45 6\r\n 6 6 0 1875.45 692.875 1\r\n -6 -6 1 1286.85 475.699 5\r\n -6 6 -1 848.950 330.716 7\r\n 6 -6 -1 1239.17 514.379 4\r\n 6 6 1 1313.74 873.561 1\r\n 6 -6 -2 8897.65 1519.76 5\r\n -6 6 -2 10101.2 983.867 7\r\n 6 -6 -2 8331.65 647.050 4\r\n 6 -6 -2 9835.07 708.670 4\r\n 6 6 2 9903.72 1650.96 1\r\n -6 -6 2 8474.36 696.520 5\r\n -6 -6 3 726.064 227.607 5\r\n 6 -6 -3 1558.62 839.106 5\r\n -6 -6 3 835.267 215.861 5\r\n -6 6 -3 886.565 546.352 7\r\n 6 6 3 786.783 785.165 1\r\n 6 6 3 953.208 784.341 4\r\n 6 -6 -4 1860.68 988.529 5\r\n -6 6 -4 1488.50 572.471 7\r\n -6 -6 4 1384.35 706.894 2\r\n 6 6 4 1205.07 1116.27 1\r\n 6 6 4 836.433 707.329 4\r\n 6 -6 -5-844.370 1030.51 5\r\n -6 -6 5 387.897 1039.60 2\r\n -6 6 -5 346.442 498.533 7\r\n 6 6 5-830.449 1372.29 1\r\n -6 -7 -5 23.0844 1105.82 5\r\n -6 7 5 1542.22 1248.68 1\r\n 6 -7 5 4353.30 1732.89 4\r\n 6 7 -5 3557.64 1247.09 7\r\n -6 -7 -4 1925.96 1157.35 5\r\n -6 7 4 2633.91 1389.17 1\r\n 6 -7 4 3344.67 1492.66 4\r\n -6 7 4 2328.60 832.533 6\r\n 6 7 -4 1712.49 1077.34 7\r\n -6 -7 -3 484.141 525.407 5\r\n 6 7 -3 816.428 707.764 7\r\n -6 7 3 1196.71 651.926 6\r\n -6 7 3 710.941 810.687 1\r\n 6 7 -2 1610.44 922.926 7\r\n -6 -7 -2 1322.05 627.939 5\r\n -6 7 2 1067.87 647.816 6\r\n -6 -7 -2 929.669 575.169 4\r\n -6 7 2 1184.34 764.068 1\r\n 6 7 -2 1040.03 410.099 1\r\n -6 -7 -1 4035.27 1010.86 5\r\n 6 7 -1 5225.33 953.121 1\r\n -6 7 1 6918.25 977.675 7\r\n -6 7 1 6284.48 1527.53 6\r\n -6 -7 -1 4953.60 568.036 3\r\n 6 7 0 2148.92 823.213 1\r\n -6 -7 0 1274.97 609.898 5\r\n 6 -7 0 1008.35 778.576 4\r\n -6 -7 1 3850.46 732.720 5\r\n 6 -7 -1 5385.61 1280.01 5\r\n 6 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8 2 1014.66 945.629 1\r\n 6 -8 -2 1751.46 814.214 5\r\n 6 8 3 2647.57 1288.03 1\r\n 6 -8 -3 4353.38 1285.61 5\r\n 6 8 4 15.2954 1267.43 1\r\n 6 -8 -4 272.242 849.952 5\r\n -6 -8 4 1798.39 978.703 2\r\n -6 -9 -2 343.839 1067.80 5\r\n 6 -9 2 1463.22 842.773 4\r\n 6 9 -2 869.435 902.791 7\r\n 6 9 -1 74.7703 1084.37 7\r\n -6 -9 -1 525.732 767.291 5\r\n 6 -9 1-208.750 1117.80 4\r\n 6 -9 0 4775.27 1359.40 5\r\n 6 -9 0 2010.52 1125.02 4\r\n 6 9 0 1730.52 1081.94 1\r\n 6 -9 -1-836.878 931.100 5\r\n 6 9 1 337.641 699.481 1\r\n 6 -9 -2 357.841 817.715 5\r\n 6 9 2 2013.64 1092.56 1\r\n -7 0 0-36.3464 245.955 4\r\n -7 0 0-589.700 376.584 2\r\n -7 0 -1 14687.3 1192.99 4\r\n -7 0 -1 11278.6 963.129 6\r\n -7 0 1 14804.2 1047.95 4\r\n 7 0 -1 13331.3 1009.20 4\r\n -7 0 1 15019.0 1223.81 2\r\n -7 0 -1 15844.9 938.736 2\r\n 7 0 -1 13673.5 991.729 7\r\n 7 0 1 13678.8 929.700 2\r\n 7 0 -2 108.353 557.677 7\r\n -7 0 2 175.215 563.140 2\r\n 7 0 -2 3.17755 355.552 5\r\n -7 0 2 82.3718 438.433 7\r\n -7 0 -2 27.2869 500.626 4\r\n -7 0 -2 252.107 337.234 6\r\n -7 0 2 273.080 339.814 4\r\n 7 0 -2 113.640 339.362 1\r\n 7 0 2 98.6519 249.196 2\r\n 7 0 -3 76328.6 2511.97 1\r\n 7 0 3 76424.9 3135.02 7\r\n 7 0 3 86454.4 3536.46 4\r\n 7 0 -3 80834.7 3465.30 2\r\n 7 0 -3 79086.4 3502.06 7\r\n -7 0 3 84756.2 3039.07 4\r\n -7 0 3 80997.8 3374.82 2\r\n -7 0 -3 80850.5 2438.13 6\r\n -7 0 -3 89121.4 3715.51 4\r\n 7 0 3 78577.9 2479.61 6\r\n 7 0 3 84408.4 1843.58 2\r\n 7 0 -3 81281.3 2960.55 5\r\n -7 0 3 79639.8 3233.47 7\r\n 7 0 3 92877.1 4380.08 3\r\n 7 0 -4 3186.13 939.624 5\r\n -7 0 4 3496.85 905.389 2\r\n 7 0 4 4063.72 497.229 2\r\n -7 0 4 4387.40 891.605 5\r\n -7 0 -4 650.581 1049.08 3\r\n 7 0 4 4526.03 1065.08 4\r\n 7 0 4 4111.95 429.508 2\r\n 7 0 -4 3403.97 1084.75 7\r\n 7 0 -4 3994.57 994.663 2\r\n 7 0 4 4175.47 1054.68 7\r\n 7 0 4 3843.79 629.617 6\r\n -7 0 4 4428.33 873.336 4\r\n 7 0 -5 9826.77 1635.95 5\r\n -7 0 5 9936.42 1662.87 2\r\n 7 0 5 10841.8 647.561 2\r\n 7 0 5 11959.0 1804.03 4\r\n 7 0 5 10301.2 672.502 2\r\n 7 0 5 11047.8 1004.99 6\r\n 7 0 -5 8104.08 1728.23 7\r\n -7 0 5 10779.0 1504.89 4\r\n 7 0 -6 2136.64 1063.39 5\r\n 7 0 6 2486.56 1165.51 4\r\n -7 0 6 1903.06 903.161 2\r\n 7 0 -6 2062.86 1182.22 7\r\n 7 0 -7-649.371 848.807 5\r\n 7 0 -7-276.968 726.898 7\r\n 7 0 7-313.624 1023.85 4\r\n -7 0 7-248.872 362.494 2\r\n 7 -1 7 5359.69 1290.29 4\r\n 7 1 -7 2445.51 1446.28 7\r\n -7 1 7 3802.33 967.601 1\r\n -7 1 7 2083.39 997.420 2\r\n 7 1 -7 1226.45 1102.52 5\r\n 7 1 -6 2101.19 1053.79 5\r\n 7 -1 6 1934.05 637.102 2\r\n 7 1 -6 4295.98 1517.10 7\r\n 7 -1 6 2639.79 1236.10 4\r\n -7 1 6 1374.21 807.254 1\r\n -7 1 6 1528.77 679.363 2\r\n -7 1 5 13091.2 1515.04 1\r\n -7 1 5 13184.5 1800.79 2\r\n 7 -1 5 10463.7 1792.49 4\r\n 7 -1 5 13335.3 1194.42 2\r\n 7 1 -5 10050.7 2019.69 7\r\n -7 1 5 10747.4 1334.87 4\r\n 7 1 -5 13400.2 1680.28 5\r\n 7 -1 5 14237.9 1492.79 6\r\n -7 -1 -5 11897.4 2006.54 5\r\n 7 1 -4 7263.28 1063.93 5\r\n 7 1 -4 7110.77 1342.83 7\r\n -7 -1 -4 4140.93 1430.39 3\r\n 7 -1 4 8954.13 1127.01 6\r\n -7 -1 -4 8506.85 1504.63 5\r\n 7 -1 4 5495.73 1303.34 4\r\n 7 -1 4 8923.68 1340.47 7\r\n -7 1 4 8351.13 979.060 4\r\n -7 1 4 7207.07 1010.76 1\r\n -7 1 4 7936.46 1251.23 2\r\n -7 -1 -3 1272.59 711.762 5\r\n 7 1 -3 1263.59 447.834 5\r\n 7 -1 3 2307.47 829.242 3\r\n 7 1 -3 2765.68 466.559 1\r\n 7 -1 3 2049.72 803.024 4\r\n -7 -1 -3 1493.61 1068.67 3\r\n -7 -1 -3 1184.32 532.240 4\r\n 7 -1 3 1790.72 554.956 6\r\n 7 -1 3 1972.87 644.421 7\r\n 7 1 -3 1794.26 650.284 2\r\n 7 1 -3 1743.93 739.137 7\r\n -7 1 3 1986.17 466.662 4\r\n -7 1 3 1149.83 575.277 7\r\n -7 -1 -3 1654.42 319.460 6\r\n -7 1 3 1803.90 758.084 2\r\n -7 -1 -2 43929.3 2700.90 3\r\n -7 -1 -2 44790.7 2285.15 4\r\n -7 1 2 43212.6 1621.16 4\r\n 7 -1 2 37766.2 1749.31 7\r\n 7 1 -2 39455.8 2128.74 7\r\n -7 -1 -2 44910.6 2327.91 5\r\n 7 -1 2 42958.0 2090.32 6\r\n -7 -1 -2 40471.2 1546.31 6\r\n -7 1 2 40880.8 1955.25 7\r\n -7 1 2 41405.2 2181.50 2\r\n 7 1 -2 41824.8 1483.63 5\r\n -7 -1 -1 10128.9 785.469 2\r\n -7 -1 -1 11165.1 1070.11 4\r\n -7 1 1 10395.5 817.765 4\r\n 7 -1 1 10469.8 881.829 2\r\n 7 1 -1 10117.2 1008.87 7\r\n 7 -1 1 10457.5 1054.75 6\r\n -7 1 1 11377.9 814.803 7\r\n -7 1 1 9768.73 1027.70 2\r\n -7 1 0 275374. 4480.27 4\r\n 7 -1 0 275013. 4360.22 4\r\n -7 -1 0 288304. 4837.24 4\r\n -7 1 0 276393. 4511.58 2\r\n 7 1 0 275945. 4668.53 2\r\n -7 1 0 268286. 5130.25 6\r\n -7 -1 0 279761. 4648.07 2\r\n -7 1 -1 8669.59 990.556 4\r\n 7 -1 -1 10941.8 867.016 7\r\n 7 1 1 11282.2 854.563 2\r\n 7 -1 -1 10913.2 862.405 4\r\n -7 -1 1 9298.66 947.930 4\r\n -7 -1 1 11353.6 1162.79 2\r\n -7 1 -1 10987.7 1063.93 6\r\n 7 1 1 10438.3 972.536 5\r\n 7 -1 -2 42177.0 2246.15 2\r\n 7 -1 -2 43511.0 1952.48 1\r\n -7 -1 2 37236.9 2266.57 2\r\n 7 1 2 43424.2 2150.36 4\r\n 7 1 2 45128.8 1261.03 2\r\n -7 -1 2 39131.5 2098.03 4\r\n -7 1 -2 39604.3 1980.49 6\r\n 7 -1 -2 41959.4 1749.28 4\r\n -7 1 -2 41447.7 2421.04 4\r\n 7 -1 -2 42661.0 2125.69 7\r\n 7 -1 -2 43246.9 1985.95 5\r\n 7 -1 -3 1648.36 552.653 1\r\n 7 -1 -3 1437.79 678.604 5\r\n -7 1 -3 2474.47 668.961 6\r\n -7 -1 3 1268.80 649.101 2\r\n 7 -1 -3 1946.23 677.069 2\r\n 7 -1 -3 1746.22 704.052 7\r\n 7 1 3 1482.35 639.191 4\r\n 7 1 3 1280.10 555.509 7\r\n -7 -1 3 1955.20 637.967 4\r\n 7 1 4 8990.55 1625.59 3\r\n 7 -1 -4 7766.56 1350.11 5\r\n -7 -1 4 8288.62 1364.73 2\r\n 7 -1 -4 4893.16 1086.28 2\r\n 7 -1 -4 8139.96 1440.05 7\r\n 7 1 4 7279.49 1261.12 4\r\n 7 -1 -4 8065.30 1081.74 1\r\n -7 -1 4 6532.42 1254.88 4\r\n -7 -1 4 7308.05 1010.59 5\r\n 7 -1 -5 11934.5 1810.27 5\r\n 7 1 5 12830.6 1786.66 4\r\n -7 -1 5 12784.6 1892.78 2\r\n 7 -1 -5 12216.1 1743.80 2\r\n 7 -1 -5 13523.9 2218.59 7\r\n -7 -1 5 13732.6 1619.82 5\r\n 7 -1 -6 2256.53 1125.14 5\r\n -7 -1 6 4304.75 1064.04 2\r\n 7 1 6 3152.57 1160.28 4\r\n 7 -1 -6 2883.88 1370.77 7\r\n 7 -1 -7 3853.93 1395.22 5\r\n -7 -1 7 2429.62 1013.33 2\r\n 7 1 7 5465.74 1424.18 4\r\n 7 -1 -7 2843.93 1600.74 7\r\n -7 2 7-1238.18 1058.06 1\r\n 7 -2 7 1114.13 1168.83 4\r\n -7 -2 -7-108.962 965.544 5\r\n 7 2 -7 523.555 1471.61 7\r\n -7 2 6 5223.43 1092.57 6\r\n 7 -2 6 4680.01 1479.01 4\r\n 7 2 -6 5825.69 1711.64 7\r\n 7 -2 6 4654.87 1034.55 2\r\n -7 2 6 6002.52 1082.90 2\r\n 7 2 -6 4745.45 1100.70 5\r\n -7 -2 -6 5203.13 1793.07 5\r\n -7 2 6 4401.86 1163.74 1\r\n 7 -2 5 9556.50 1831.53 4\r\n 7 2 -5 9542.11 1329.59 5\r\n -7 2 5 9769.86 977.806 4\r\n -7 2 5 9247.68 1414.11 1\r\n -7 2 5 10291.3 952.534 4\r\n 7 -2 5 9774.51 1491.68 6\r\n -7 2 5 6848.64 1238.50 2\r\n 7 2 -5 9878.80 1937.24 7\r\n -7 -2 -5 10496.3 1808.50 5\r\n -7 -2 -4 31092.2 2378.25 4\r\n 7 -2 4 31617.7 2763.43 4\r\n -7 2 4 31290.6 1389.37 4\r\n -7 2 4 31457.0 2226.06 1\r\n -7 2 4 31315.9 2269.90 2\r\n 7 -2 4 33441.6 2408.29 7\r\n 7 2 -4 30345.1 2696.81 7\r\n 7 -2 4 30897.2 2283.54 6\r\n 7 2 -4 31098.4 1872.01 5\r\n -7 -2 -4 30768.1 2692.25 5\r\n 7 -2 3 9385.14 1545.73 3\r\n 7 2 -3 8863.58 588.343 1\r\n -7 -2 -3 7664.73 1321.02 5\r\n -7 -2 -3 10386.4 1692.88 3\r\n -7 -2 -3 10288.4 1254.24 4\r\n 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-7 -2 0 142.961 326.698 4\r\n -7 2 0-440.871 501.925 6\r\n -7 2 -1 33132.9 2036.06 6\r\n 7 -2 -1 29773.1 1378.86 7\r\n -7 2 -1 33248.3 2003.47 4\r\n 7 -2 -1 28649.8 1253.14 4\r\n 7 2 1 29676.8 1655.75 5\r\n -7 -2 1 26044.2 1756.19 4\r\n -7 -2 1 25520.1 1807.41 2\r\n 7 2 1 30461.3 1817.36 4\r\n 7 -2 -1 32510.7 1736.04 1\r\n -7 2 -1 28480.4 2038.75 3\r\n -7 2 -2 80883.8 3937.23 3\r\n 7 -2 -2 81650.4 3006.79 1\r\n 7 2 2 83189.4 2961.20 4\r\n 7 -2 -2 89440.7 3058.58 7\r\n -7 -2 2 88009.2 3507.77 4\r\n 7 -2 -2 89179.5 3305.24 2\r\n -7 -2 2 83535.8 3503.54 2\r\n -7 2 -2 85573.7 3308.93 6\r\n 7 -2 -2 84900.7 1978.75 4\r\n 7 2 2 81254.6 3289.49 5\r\n 7 -2 -2 85911.8 3084.15 5\r\n 7 -2 -3 9853.51 1367.17 7\r\n -7 2 -3 8669.32 1184.43 6\r\n -7 -2 3 10666.1 1400.46 4\r\n -7 2 -3 10820.0 1869.05 3\r\n 7 2 3 10917.1 1276.92 4\r\n 7 -2 -3 9221.12 1263.83 2\r\n 7 -2 -3 11136.8 1329.58 1\r\n -7 -2 3 8618.67 1349.49 2\r\n 7 2 3 12121.0 1551.96 5\r\n 7 -2 -3 10370.5 1321.28 5\r\n -7 -2 3 9408.16 772.188 5\r\n 7 -2 -4 31651.0 2384.20 2\r\n 7 2 4 34581.4 2372.49 4\r\n -7 -2 4 31858.8 2733.23 4\r\n 7 -2 -4 29743.7 2230.29 1\r\n 7 -2 -4 30188.6 2641.84 7\r\n -7 -2 4 27583.7 2480.26 2\r\n 7 -2 -4 29082.2 2461.19 5\r\n -7 -2 4 31428.1 1795.95 5\r\n 7 -2 -5 10948.8 1799.05 5\r\n -7 -2 5 8748.99 1647.15 2\r\n 7 -2 -5 8403.37 1469.85 2\r\n 7 2 5 10198.5 1532.87 4\r\n 7 -2 -5 9527.06 1798.48 7\r\n -7 -2 5 10926.8 1355.25 5\r\n -7 -2 6 5607.13 1180.48 2\r\n 7 -2 -6 6157.12 1516.54 5\r\n 7 2 6 5340.55 1331.57 4\r\n 7 -2 -6 4389.48 1324.79 7\r\n 7 -2 -7-2533.17 1434.25 5\r\n -7 -2 7-2224.10 937.765 2\r\n 7 2 7 1162.16 778.045 1\r\n 7 2 7 881.587 840.110 4\r\n 7 3 -7 5067.82 1968.95 7\r\n -7 3 7 4172.23 1369.45 1\r\n 7 -3 7 2913.24 1676.93 4\r\n -7 -3 -7 2899.34 1370.46 5\r\n 7 3 -6 7063.37 1560.07 7\r\n -7 3 6 5094.10 1378.84 1\r\n -7 -3 -6 7533.66 1546.69 5\r\n -7 3 6 3380.94 917.861 6\r\n 7 -3 6 5511.76 1611.20 4\r\n 7 3 -5 14563.7 2273.97 7\r\n -7 3 5 15536.2 1966.26 1\r\n -7 -3 -5 15360.3 2248.75 5\r\n 7 -3 5 14530.5 2336.41 4\r\n -7 3 5 14265.4 1638.10 6\r\n -7 -3 -4 4813.85 1299.32 5\r\n -7 3 4 5809.94 1193.51 1\r\n 7 3 -4 5689.73 1444.69 7\r\n -7 3 4 5478.41 1182.16 6\r\n 7 -3 4 5917.03 1608.49 4\r\n -7 -3 -4 5185.80 1050.94 4\r\n 7 -3 4 6035.09 1374.81 6\r\n 7 -3 4 6469.51 1101.51 7\r\n -7 -3 -3 2750.95 899.019 5\r\n -7 3 3 4598.45 984.852 1\r\n 7 -3 3 4522.32 1127.84 3\r\n -7 -3 -3 5270.89 1315.27 3\r\n -7 3 3 3731.73 909.852 6\r\n 7 -3 3 3399.71 1140.47 4\r\n -7 -3 -3 4393.68 885.394 4\r\n -7 -3 -3 4272.77 380.974 6\r\n -7 3 3 4008.35 857.386 7\r\n 7 -3 3 5076.76 1148.46 6\r\n 7 3 -3 3843.02 997.164 7\r\n 7 -3 3 4625.81 761.819 7\r\n -7 -3 -2 9270.19 1308.43 3\r\n 7 -3 2 8749.03 1297.47 4\r\n -7 -3 -2 7796.82 1047.06 4\r\n 7 -3 2 8515.81 738.374 7\r\n 7 3 -2 9529.07 1220.47 7\r\n -7 3 2 8620.51 1002.60 7\r\n -7 -3 -2 8276.05 796.092 2\r\n -7 3 2 8530.19 1178.78 6\r\n 7 -3 2 9203.01 1302.54 6\r\n -7 -3 -2 7315.48 1123.09 5\r\n -7 3 1 19020.5 1702.59 6\r\n -7 -3 -1 17542.2 1448.30 4\r\n -7 3 1 19132.0 1041.77 7\r\n -7 -3 -1 19022.4 1383.88 2\r\n 7 -3 1 19913.9 1663.14 4\r\n -7 -3 -1 18670.7 1375.26 5\r\n 7 -3 0 55010.3 2357.14 1\r\n 7 -3 0 55201.7 2264.39 4\r\n -7 -3 0 54687.6 2564.65 4\r\n 7 3 0 44787.4 2583.20 4\r\n -7 3 0 52561.3 2776.86 6\r\n -7 -3 0 53733.6 2585.40 2\r\n -7 -3 0 50049.1 1652.56 5\r\n 7 3 0 54650.7 1633.27 5\r\n -7 3 -1 20752.5 1785.96 3\r\n -7 -3 1 20570.1 1701.02 4\r\n 7 -3 -1 19418.4 1509.57 1\r\n 7 -3 -1 20412.2 1099.54 4\r\n 7 3 1 22354.1 1668.91 4\r\n -7 3 -1 19601.1 1794.16 6\r\n -7 -3 1 20469.7 1787.17 2\r\n 7 -3 -1 18483.5 1661.41 6\r\n 7 3 1 19508.3 1387.96 5\r\n 7 -3 -2 8233.82 1143.33 1\r\n -7 3 -2 8948.17 1461.42 3\r\n 7 -3 -2 7844.24 487.130 4\r\n 7 -3 -2 8318.63 1139.46 2\r\n -7 3 -2 9643.03 1369.05 6\r\n -7 -3 2 9243.77 1379.55 2\r\n -7 -3 2 5890.73 1097.22 4\r\n 7 3 2 8999.46 1197.52 5\r\n 7 -3 -2 9036.92 1185.54 5\r\n 7 3 2 8631.05 1130.65 4\r\n 7 -3 -3 4192.35 909.517 2\r\n 7 3 3 4133.86 1090.82 5\r\n 7 -3 -3 3214.94 988.159 5\r\n -7 3 -3 184.689 945.507 3\r\n 7 -3 -3 3473.88 907.873 7\r\n -7 -3 3 2622.22 998.098 2\r\n 7 3 3 3816.38 895.453 4\r\n 7 -3 -3 4316.26 957.880 1\r\n -7 -3 3 4147.73 1005.78 4\r\n -7 -3 3 4756.72 441.440 5\r\n 7 -3 -4 7513.19 1535.92 5\r\n 7 -3 -4 5182.35 1153.11 2\r\n 7 -3 -4 6955.10 1474.77 7\r\n -7 -3 4 6943.39 1496.15 2\r\n 7 3 4 5016.69 1091.42 4\r\n -7 -3 4 5983.09 820.760 5\r\n 7 3 5 15006.2 1759.48 4\r\n -7 -3 5 12753.7 2067.87 2\r\n 7 -3 -5 17037.5 2358.75 5\r\n -7 -3 5 17885.5 1601.18 5\r\n 7 -3 -6 5164.74 1623.79 5\r\n -7 -3 6 5819.48 1500.50 2\r\n 7 3 6 4916.92 1111.95 4\r\n 7 -3 -7 2333.09 1271.46 5\r\n -7 -3 7 3308.77 1132.59 2\r\n 7 3 7 4107.92 1575.43 1\r\n -7 -4 -6 1853.14 1163.52 5\r\n -7 4 6 826.644 801.411 1\r\n 7 -4 6 1143.40 1397.64 4\r\n 7 4 -6 1615.85 1188.06 7\r\n -7 -4 -5 3021.73 1206.19 5\r\n 7 -4 5 2422.95 1226.82 4\r\n -7 4 5 4514.46 984.800 6\r\n 7 4 -5 4030.55 1427.15 7\r\n -7 4 5 2344.34 1105.54 1\r\n -7 -4 -4 21049.7 2500.26 5\r\n 7 -4 4 23412.9 2700.25 4\r\n -7 -4 -4 24364.2 2034.08 4\r\n -7 4 4 24141.9 2157.95 6\r\n -7 4 4 21777.3 2259.11 1\r\n 7 -4 4 26835.3 1974.20 7\r\n 7 4 -4 22972.1 2568.28 7\r\n 7 -4 3 17746.3 2222.17 3\r\n -7 -4 -3 18549.1 2143.27 3\r\n 7 4 -3 16614.8 1907.13 7\r\n 7 -4 3 17542.9 2222.24 4\r\n -7 -4 -3 17249.5 1636.42 4\r\n -7 4 3 17585.7 1783.41 7\r\n 7 -4 3 16453.5 1298.14 7\r\n -7 -4 -3 17702.4 1056.82 6\r\n -7 -4 -3 15527.8 1019.72 2\r\n -7 4 3 18760.4 1899.73 6\r\n -7 4 3 17340.6 1851.27 1\r\n -7 -4 -3 17151.6 2002.69 5\r\n -7 -4 -2 231.409 551.706 5\r\n -7 -4 -2 282.472 472.857 3\r\n -7 4 2-853.665 485.120 7\r\n 7 -4 2 39.8033 625.987 4\r\n 7 4 -2 183.588 642.363 7\r\n -7 -4 -2-32.7299 209.598 4\r\n 7 -4 2-150.362 616.078 6\r\n -7 4 2 358.959 394.665 6\r\n -7 -4 -2-109.280 349.897 2\r\n -7 4 2-487.864 593.302 1\r\n 7 -4 1 13752.1 1547.98 4\r\n -7 -4 -1 12787.2 1345.24 4\r\n -7 4 1 14204.2 1648.04 6\r\n 7 -4 1 14172.6 1294.47 1\r\n -7 4 1 11827.6 900.624 7\r\n -7 -4 -1 13633.3 1312.47 5\r\n -7 4 0 7000.78 935.754 3\r\n 7 -4 0 8485.48 1054.48 4\r\n 7 -4 0 7846.23 1072.48 1\r\n -7 -4 0 8082.94 805.493 5\r\n -7 4 0 7956.30 1299.68 6\r\n -7 -4 0 7900.60 1128.18 4\r\n 7 4 0 8746.97 1353.37 4\r\n -7 4 -1 12759.2 1550.72 3\r\n 7 -4 -1 12827.1 1422.05 1\r\n 7 -4 -1 11383.5 962.350 4\r\n 7 -4 -1 13581.9 1469.99 2\r\n 7 4 1 13629.4 1531.97 4\r\n -7 -4 1 15054.1 1645.97 4\r\n -7 4 -1 14638.8 1756.84 6\r\n 7 -4 -1 14796.1 1642.44 6\r\n -7 -4 1 13660.8 1700.68 2\r\n 7 4 1 12491.8 1178.35 5\r\n 7 -4 -2-52.9378 592.982 1\r\n 7 4 2-829.454 534.934 5\r\n -7 4 -2 253.897 280.532 7\r\n 7 -4 -2-395.016 563.669 5\r\n -7 4 -2 289.238 573.829 3\r\n -7 -4 2 27.1856 724.277 2\r\n 7 -4 -2 151.052 101.415 4\r\n 7 -4 -2-24.7479 458.654 2\r\n 7 4 2 8.11480 515.746 4\r\n -7 4 -2 39.0151 481.235 6\r\n -7 -4 2-784.185 579.845 4\r\n 7 4 3 13641.6 1498.61 4\r\n -7 4 -3 18958.8 1510.33 7\r\n 7 -4 -3 19815.9 1881.04 2\r\n -7 -4 3 17583.9 2143.26 2\r\n 7 -4 -3 16091.9 1933.12 5\r\n 7 4 4 23808.9 1990.59 4\r\n -7 -4 4 22943.8 2584.44 2\r\n -7 4 -4 20253.0 1950.74 7\r\n 7 -4 -4 19980.0 2403.83 5\r\n -7 -4 4 25188.0 1272.47 5\r\n 7 -4 -5 4143.70 1199.48 5\r\n -7 -4 5 4172.78 1205.75 2\r\n 7 4 5 2516.69 763.763 4\r\n -7 4 -5 1660.30 816.097 7\r\n 7 -4 -6 670.856 950.745 5\r\n 7 4 6 973.564 1094.56 1\r\n -7 -4 6 5.00034 1066.40 2\r\n -7 -5 -6 3855.07 1386.66 5\r\n -7 5 6 2322.00 1085.15 1\r\n 7 5 -6 688.068 1162.50 7\r\n 7 -5 6 688.925 1469.45 4\r\n -7 -5 -5-745.963 891.756 5\r\n -7 5 5-1696.40 997.011 1\r\n 7 -5 5 765.096 894.430 4\r\n 7 5 -5-937.774 947.758 7\r\n -7 5 5-85.2524 617.026 6\r\n -7 -5 -4 2121.83 967.816 5\r\n -7 5 4 377.874 871.128 1\r\n -7 -5 -4 994.934 272.332 2\r\n 7 -5 4 1546.01 1115.10 4\r\n -7 -5 -4 235.886 575.622 4\r\n 7 5 -4 1111.34 938.902 7\r\n 7 -5 4 855.179 588.858 7\r\n -7 5 4 2018.48 858.022 6\r\n 7 -5 4 1325.42 444.850 1\r\n -7 -5 -3 7127.47 1474.19 5\r\n -7 -5 -3 8692.52 1527.92 3\r\n 7 -5 3 8331.85 1081.07 1\r\n -7 5 3 8383.53 1263.02 7\r\n 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5\r\n -7 5 -1 8273.46 447.536 7\r\n 7 -5 -1 7829.42 937.462 4\r\n -7 5 -1 8786.99 1380.74 3\r\n 7 -5 -1 7702.28 1403.78 6\r\n -7 5 -1 9060.42 1594.25 6\r\n -7 -5 1 8775.29 682.014 5\r\n 7 5 1 8056.27 1428.40 4\r\n 7 5 1 8981.70 1098.84 5\r\n -7 -5 2 12527.7 1887.26 2\r\n 7 -5 -2 12629.4 629.966 4\r\n -7 5 -2 13468.9 982.621 7\r\n 7 5 2 11464.9 1561.08 4\r\n 7 -5 -2 12476.8 701.302 4\r\n -7 5 -2 13263.0 1983.02 6\r\n 7 -5 -2 13530.5 1731.46 6\r\n 7 5 2 13617.9 1544.22 5\r\n 7 -5 -2 12353.8 1697.43 5\r\n 7 -5 -3 7876.13 1633.87 5\r\n -7 -5 3 7982.04 1666.55 2\r\n -7 5 -3 9087.67 1030.05 7\r\n 7 5 3 7564.51 1254.28 4\r\n 7 -5 -4 1329.15 1055.64 5\r\n -7 5 -4 704.033 552.276 7\r\n 7 5 4 1676.20 740.127 4\r\n -7 -5 4 1396.36 933.967 2\r\n 7 -5 -5-505.309 1019.87 5\r\n 7 5 5 381.707 1059.66 1\r\n -7 5 -5 198.979 526.846 7\r\n 7 5 5 628.815 657.590 4\r\n -7 -5 5-261.775 437.920 2\r\n -7 -5 6 387.730 1256.62 2\r\n 7 5 6 1914.22 1051.17 1\r\n -7 -6 -5 2375.77 1127.25 5\r\n 7 6 -5 4011.16 1302.93 7\r\n -7 6 5 1317.52 1092.40 1\r\n 7 -6 5 4205.45 1626.60 4\r\n -7 -6 -4 3985.27 1284.96 5\r\n -7 6 4 4952.89 1501.26 1\r\n 7 -6 4 3781.84 1483.60 4\r\n 7 6 -4 5337.75 1380.80 7\r\n -7 6 4 3880.29 1098.34 6\r\n -7 -6 -3 3082.33 1119.74 5\r\n -7 6 3 4976.63 1211.48 1\r\n 7 -6 3 6320.49 1649.88 4\r\n 7 6 -3 5971.25 1314.82 7\r\n -7 6 3 3610.84 1325.34 6\r\n -7 6 3 5293.02 1050.79 7\r\n 7 -6 3 4113.62 858.670 1\r\n -7 -6 -3 4845.93 998.389 4\r\n -7 6 2 11080.7 703.210 3\r\n -7 -6 -2 15634.6 1498.05 3\r\n -7 -6 -2 12083.2 1628.02 5\r\n 7 6 -2 13505.6 1048.34 1\r\n 7 -6 2 13050.9 1406.71 1\r\n -7 -6 -2 14860.9 1643.30 4\r\n -7 6 2 15100.5 1558.51 7\r\n 7 6 -2 13114.6 1809.70 7\r\n -7 6 2 12127.6 1656.71 1\r\n 7 -6 2 10744.7 1788.99 4\r\n -7 -6 -2 13396.5 1652.56 6\r\n -7 6 2 12701.0 1780.40 6\r\n -7 -6 -1 412.952 607.029 5\r\n -7 6 1 1883.54 474.221 7\r\n -7 6 1 944.619 292.586 3\r\n 7 -6 1 1119.30 754.537 4\r\n -7 -6 -1 975.193 802.489 6\r\n -7 6 1 570.486 845.246 6\r\n -7 -6 -1 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667.164 1150.70 4\r\n -7 -7 -3 2154.77 844.323 5\r\n -7 7 3 3201.11 1265.11 1\r\n 7 -7 3 1544.93 1185.31 4\r\n 7 7 -3 5564.26 1334.47 7\r\n -7 7 3 3083.43 1157.19 6\r\n -7 -7 -2 3711.79 995.961 5\r\n -7 7 2 4361.50 1350.32 6\r\n 7 7 -2 4288.92 711.961 1\r\n 7 -7 2 5954.72 1508.08 4\r\n 7 7 -2 2960.92 1053.37 7\r\n -7 7 2 4536.46 1264.53 1\r\n -7 -7 -1 3260.57 963.634 5\r\n -7 -7 -1 4103.08 665.694 3\r\n 7 7 -1 2801.55 785.804 1\r\n 7 -7 1 3203.28 1056.74 4\r\n -7 7 1 2947.57 1060.63 6\r\n -7 -7 0 204.788 446.307 5\r\n 7 -7 0-267.892 700.000 4\r\n -7 7 0 474.413 730.974 6\r\n -7 7 0 91.1235 259.618 7\r\n 7 7 0 192.242 624.743 1\r\n -7 -7 1 3291.80 624.832 5\r\n 7 -7 -1 3434.12 1149.92 5\r\n 7 -7 -1 4530.07 938.467 4\r\n -7 7 -1 4566.60 535.744 7\r\n 7 7 1 4150.45 1172.07 1\r\n 7 -7 -2 4940.07 1348.34 5\r\n 7 7 2 3436.72 1015.58 1\r\n 7 -7 -3 2551.11 1106.67 5\r\n 7 7 3 3600.99 1101.44 1\r\n -7 -7 3 1525.43 1466.62 2\r\n 7 -7 -4 246.462 1100.85 5\r\n -7 -7 4 982.162 763.436 2\r\n 7 7 4-734.397 1091.78 1\r\n -7 -8 -3-1996.59 1119.41 5\r\n 7 8 -3 2414.15 842.760 7\r\n -7 8 3-637.137 855.667 1\r\n 7 -8 3 1412.67 1166.36 4\r\n -7 -8 -2 3745.17 950.892 5\r\n 7 -8 2 3556.01 1446.70 4\r\n 7 8 -2 4691.02 1299.01 7\r\n -7 -8 -1 5816.32 1230.23 5\r\n 7 -8 1 5619.29 1526.48 4\r\n 7 8 -1 3845.15 982.804 1\r\n -7 -8 0 32.3505 662.952 5\r\n 7 8 0 1226.83 724.098 1\r\n 7 -8 0 1067.89 765.967 4\r\n 7 8 1 5946.58 1433.39 1\r\n 7 -8 -1 4432.84 1311.74 5\r\n 7 -8 -2 5107.51 1387.19 5\r\n 7 8 2 3633.95 1266.08 1\r\n 7 -8 -3 1554.55 1194.53 5\r\n -7 -8 3-612.033 852.189 2\r\n 7 8 3 1502.57 1056.83 1\r\n -7 -9 -2-21.5017 1022.38 5\r\n 7 -9 2 2016.81 1401.34 4\r\n 7 9 -2 1911.38 1122.71 7\r\n 7 -9 1 2865.65 1471.82 4\r\n 7 9 -1 3729.09 1379.83 7\r\n 7 -9 0 2923.41 1178.25 5\r\n 7 9 0 3606.22 1104.29 1\r\n 7 -9 -1 1780.91 1331.88 5\r\n 7 9 1 2363.40 1217.57 1\r\n 7 -9 -2 2070.91 835.774 5\r\n 7 9 2 422.367 1010.33 1\r\n 8 0 0 17641.9 1251.13 2\r\n -8 0 0 15640.7 1180.00 2\r\n -8 0 0 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544.186 2\r\n 8 0 -4 4096.56 1190.92 7\r\n 8 0 4 5410.85 1221.72 4\r\n 8 0 -4 6560.10 1267.00 2\r\n 8 0 -4 5234.82 845.206 1\r\n 8 0 4 5619.14 1160.96 7\r\n -8 0 4 5954.05 1052.93 4\r\n -8 0 5-30.7981 643.493 2\r\n 8 0 -5-103.971 873.424 5\r\n 8 0 5 131.112 155.938 2\r\n 8 0 -5 379.621 1010.61 7\r\n 8 0 5 16.2818 144.889 2\r\n -8 0 5-529.227 448.229 4\r\n 8 0 5-361.175 924.563 4\r\n 8 0 6 15212.7 2236.90 4\r\n -8 0 6 13862.8 1980.68 2\r\n 8 0 -6 12929.2 2426.38 7\r\n 8 0 -6 14947.7 2122.91 5\r\n 8 0 -7 3220.16 1311.76 5\r\n 8 0 -7 2155.42 1345.08 7\r\n 8 0 7 3083.36 1166.54 4\r\n -8 0 7 1774.80 920.417 2\r\n 8 1 -7 617.431 1109.15 7\r\n 8 -1 7 1239.06 1029.31 4\r\n -8 1 7 1058.04 592.024 2\r\n 8 1 -7 790.290 687.868 5\r\n 8 1 -6 8463.25 1632.67 5\r\n 8 1 -6 6613.33 1805.03 7\r\n 8 -1 6 10428.1 1941.81 4\r\n -8 1 6 7971.90 1487.63 2\r\n 8 -1 5 47992.6 2603.20 6\r\n 8 -1 5 47036.3 3521.57 4\r\n 8 1 -5 49498.5 3909.71 7\r\n -8 1 5 44679.5 2487.05 4\r\n -8 1 5 45926.1 3114.34 2\r\n 8 1 -5 50345.0 3069.57 5\r\n -8 -1 -4 12407.6 1598.62 4\r\n -8 -1 -4 12234.8 2181.20 3\r\n 8 -1 4 9893.45 1606.42 4\r\n -8 1 4 11496.2 1169.19 4\r\n -8 1 4 11997.8 1569.80 2\r\n 8 -1 4 9970.95 1228.74 6\r\n 8 -1 4 14445.7 1650.67 7\r\n 8 1 -4 10822.7 1643.87 2\r\n 8 1 -4 10858.0 1278.21 5\r\n 8 1 -4 8829.55 1565.28 7\r\n -8 -1 -3 51057.3 3563.62 3\r\n -8 1 3 49971.2 2758.44 2\r\n 8 1 -3 48706.0 1814.17 1\r\n -8 -1 -3 48880.3 2807.91 4\r\n 8 -1 3 48298.5 2876.23 4\r\n -8 1 3 48403.9 2010.61 4\r\n 8 -1 3 48938.1 2494.03 7\r\n -8 1 3 50285.7 2614.76 7\r\n -8 -1 -3 47411.3 1629.70 6\r\n 8 -1 3 44212.9 2323.19 6\r\n 8 1 -3 50053.4 2958.19 2\r\n 8 1 -3 49133.3 2869.46 7\r\n 8 1 -3 45960.7 2077.14 5\r\n -8 -1 -2 62206.9 3273.23 3\r\n 8 1 -2 62435.2 2706.92 7\r\n -8 -1 -2 66019.2 2883.83 4\r\n -8 1 2 59661.3 2039.33 4\r\n 8 -1 2 64037.7 2185.08 2\r\n 8 -1 2 56532.0 2141.25 7\r\n -8 1 2 65591.0 2846.03 2\r\n 8 -1 2 61779.8 2632.49 6\r\n -8 -1 -2 61719.2 2119.88 6\r\n -8 1 2 66577.0 2449.98 7\r\n 8 1 -2 60942.6 1815.24 5\r\n -8 -1 -1 16161.1 1334.58 4\r\n -8 1 1 16851.7 1113.99 4\r\n 8 -1 1 14677.7 1114.46 2\r\n -8 1 1 13791.5 1256.02 2\r\n 8 1 -1 11983.1 1156.41 7\r\n -8 1 1 14278.5 973.845 7\r\n -8 -1 -1 15663.4 1038.93 2\r\n -8 1 0 5041.48 710.586 4\r\n 8 -1 0 5112.40 727.585 4\r\n -8 1 0 5666.62 792.722 2\r\n -8 -1 0 5192.14 773.816 2\r\n -8 -1 0 4664.27 704.121 4\r\n 8 1 0 5330.04 772.900 2\r\n -8 1 0 4331.80 807.418 6\r\n -8 -1 1 14966.5 1249.07 4\r\n 8 -1 -1 15726.3 1088.28 4\r\n 8 -1 -1 14281.6 1018.38 7\r\n -8 -1 1 14014.7 1322.50 2\r\n -8 1 -1 17354.7 1425.54 4\r\n 8 1 1 14271.9 1048.43 2\r\n -8 1 -1 16105.6 1365.75 6\r\n 8 1 1 16806.5 1235.04 5\r\n 8 -1 -2 58475.5 2788.40 2\r\n -8 1 -2 60721.1 2966.27 4\r\n -8 1 -2 55714.6 2462.69 6\r\n 8 -1 -2 63309.9 2435.19 1\r\n 8 1 2 62522.3 2688.65 4\r\n -8 -1 2 55344.1 2838.21 2\r\n 8 1 2 63751.0 1739.68 2\r\n 8 1 2 61790.8 2860.25 5\r\n 8 -1 -2 62983.4 2240.70 4\r\n 8 -1 -2 66494.0 2711.62 7\r\n -8 -1 2 59106.0 2598.84 4\r\n 8 -1 -2 57740.5 2336.92 5\r\n 8 -1 -3 47874.8 2775.47 2\r\n 8 -1 -3 48166.0 2352.87 1\r\n 8 1 3 48697.3 2662.17 4\r\n 8 -1 -3 47496.6 2794.59 7\r\n -8 -1 3 43594.8 2756.39 2\r\n -8 1 -3 48053.6 2372.87 6\r\n 8 1 3 54677.4 3081.05 5\r\n -8 -1 3 47131.4 2648.08 4\r\n 8 -1 -3 48385.5 2509.77 5\r\n 8 1 4 10759.8 1557.35 4\r\n -8 1 -4 5101.77 1765.03 3\r\n 8 -1 -4 12400.0 1603.75 2\r\n -8 -1 4 10093.2 1481.08 4\r\n -8 -1 4 11271.9 1611.57 2\r\n 8 -1 -4 11836.6 1785.15 7\r\n 8 -1 -4 12227.1 1325.85 1\r\n 8 -1 -4 10404.3 1495.18 5\r\n 8 1 5 45267.2 3204.14 4\r\n 8 -1 -5 42425.6 3656.41 7\r\n -8 -1 5 43440.3 3259.40 2\r\n 8 -1 -5 46343.2 3356.18 5\r\n -8 -1 5 46365.4 2734.56 5\r\n 8 -1 -6 8901.13 1893.52 5\r\n -8 -1 6 5809.39 1524.26 2\r\n 8 1 6 9349.17 1780.56 4\r\n 8 -1 -6 9488.41 2147.67 7\r\n -8 -1 7 5155.41 1330.48 2\r\n 8 -1 -7 3462.43 1322.43 7\r\n 8 1 7 3413.37 1243.84 4\r\n -8 2 7 5255.28 1166.60 1\r\n 8 2 -7 4839.98 1670.19 7\r\n 8 -2 7 6527.00 1879.43 4\r\n 8 -2 6 884.536 566.028 2\r\n 8 2 -6-382.796 944.027 7\r\n 8 -2 6-2648.19 1335.69 4\r\n -8 2 6 137.582 638.190 1\r\n -8 2 6-537.686 642.682 2\r\n -8 2 6 289.563 624.996 6\r\n 8 2 -6 126.289 730.606 5\r\n -8 -2 -6 817.286 955.874 5\r\n -8 2 5 1589.35 771.496 2\r\n -8 2 5 907.424 725.017 1\r\n 8 -2 5 1795.35 1074.56 4\r\n 8 -2 5 1245.48 801.244 6\r\n -8 2 5 1694.24 452.610 4\r\n 8 2 -5 768.180 798.986 7\r\n -8 -2 -5 971.592 1010.34 5\r\n 8 2 -5 1425.59 704.835 5\r\n -8 -2 -4 21035.8 2035.19 4\r\n 8 -2 4 18638.9 2238.41 4\r\n -8 -2 -4 18141.5 2658.61 3\r\n -8 2 4 18271.7 1126.78 4\r\n 8 -2 4 20758.9 1932.43 6\r\n -8 2 4 18368.1 1840.03 2\r\n 8 2 -4 18005.0 2178.88 7\r\n -8 -2 -4 17079.0 2094.41 5\r\n -8 2 4 18726.3 1769.18 1\r\n 8 -2 4 22433.8 1990.98 7\r\n 8 2 -4 18291.0 1458.21 5\r\n -8 -2 -3 34445.9 2959.29 3\r\n 8 2 -3 35190.6 1264.92 1\r\n 8 -2 3 35877.2 2635.43 4\r\n -8 -2 -3 38861.7 2463.43 4\r\n -8 2 3 36742.1 1380.12 4\r\n -8 2 3 32410.9 2226.27 2\r\n 8 -2 3 35878.3 2094.46 7\r\n 8 2 -3 43545.9 2755.17 7\r\n -8 -2 -3 36992.8 1201.59 6\r\n 8 -2 3 37804.1 2434.54 6\r\n 8 -2 3 38209.8 2641.11 5\r\n -8 -2 -3 39299.7 2692.19 5\r\n 8 2 -3 39228.5 1592.14 5\r\n -8 2 3 37852.3 2334.16 7\r\n -8 -2 -2 25589.2 2230.75 3\r\n 8 -2 2 30024.0 1507.94 7\r\n -8 2 2 30708.5 2139.85 6\r\n -8 -2 -2 31130.2 2049.26 4\r\n -8 2 2 29239.4 1276.35 4\r\n -8 2 2 30820.1 1712.93 7\r\n 8 2 -2 31360.5 2053.98 7\r\n -8 -2 -2 31619.0 1231.98 2\r\n 8 -2 2 30796.1 2108.10 6\r\n -8 2 2 31764.4 2021.44 2\r\n -8 -2 -2 27028.0 1942.18 5\r\n 8 2 -2 28426.4 854.881 5\r\n -8 2 1 227720. 3941.67 4\r\n 8 -2 1 238793. 5234.98 4\r\n -8 -2 -1 242453. 5155.71 4\r\n -8 2 1 240216. 3395.44 7\r\n -8 -2 -1 233698. 4231.69 2\r\n -8 2 1 238916. 5559.09 6\r\n 8 -2 1 231338. 2659.24 7\r\n -8 -2 0 99816.9 3217.12 2\r\n -8 2 0 100480. 3061.37 4\r\n 8 -2 0 94329.3 2853.59 4\r\n -8 -2 0 99932.0 3314.69 4\r\n 8 -2 0 100129. 1533.52 7\r\n -8 2 0 102329. 3601.95 6\r\n 8 2 0 99517.0 3269.58 2\r\n 8 2 0 102920. 2347.26 5\r\n -8 2 -1 238423. 5445.17 4\r\n 8 -2 -1 231646. 3793.37 4\r\n -8 -2 1 243286. 5336.75 4\r\n 8 -2 -1 249983. 3934.36 7\r\n 8 -2 -1 247169. 4916.34 1\r\n -8 -2 1 232115. 5439.93 2\r\n -8 2 -1 227211. 5395.03 6\r\n 8 2 1 238402. 5080.29 4\r\n 8 2 1 230715. 4598.38 5\r\n -8 2 -1 237623. 5897.84 3\r\n -8 2 -2 30091.4 2563.84 3\r\n 8 -2 -2 32246.8 1949.66 1\r\n 8 2 2 31544.1 1978.12 4\r\n -8 -2 2 30880.9 2134.26 4\r\n 8 -2 -2 28196.0 2051.08 2\r\n -8 -2 2 27192.2 2145.13 2\r\n -8 2 -2 30887.8 2089.68 6\r\n 8 -2 -2 29910.7 1871.34 7\r\n 8 -2 -2 29397.0 1310.76 4\r\n 8 2 2 32580.2 2159.02 5\r\n 8 -2 -2 31332.8 1952.36 5\r\n 8 -2 -3 38362.9 2371.80 1\r\n -8 2 -3 37034.4 3325.30 3\r\n 8 2 3 37373.4 2274.94 4\r\n -8 -2 3 32228.6 2498.08 4\r\n -8 -2 3 33939.0 2578.17 2\r\n -8 2 -3 36067.7 2390.40 6\r\n 8 -2 -3 36618.0 2495.39 7\r\n 8 -2 -3 37076.8 2489.87 2\r\n 8 2 3 38071.7 2674.71 5\r\n 8 -2 -3 35081.6 2377.78 5\r\n -8 -2 4 18465.4 2152.03 2\r\n 8 2 4 18504.0 1854.77 4\r\n 8 -2 -4 16190.9 1963.27 7\r\n 8 -2 -4 17610.4 1881.62 2\r\n 8 -2 -4 19351.4 1826.19 1\r\n 8 -2 -4 18336.9 2048.88 5\r\n -8 -2 4 19894.4 1408.76 5\r\n 8 -2 -5 330.433 760.983 5\r\n -8 -2 5 241.952 700.953 5\r\n -8 -2 5 3104.15 1088.95 2\r\n 8 -2 -5-158.738 1082.71 7\r\n 8 2 5 1141.97 855.817 4\r\n 8 -2 -6 992.916 1138.94 5\r\n -8 -2 6 610.804 949.599 2\r\n 8 -2 -6 271.861 1247.08 7\r\n 8 2 6-424.093 1015.69 4\r\n 8 -2 -7 1367.52 1390.19 5\r\n -8 -2 7 6083.76 1595.74 2\r\n 8 -2 -7 5205.05 1835.22 7\r\n 8 2 7 5289.40 1444.20 4\r\n 8 -3 6 659.651 1442.98 4\r\n 8 3 -6 972.213 732.590 7\r\n -8 3 6 2303.12 814.989 6\r\n -8 3 6 1077.56 977.327 1\r\n -8 -3 -6 261.774 889.990 5\r\n -8 -3 -5 2088.00 1090.16 5\r\n -8 3 5 3302.75 1163.51 1\r\n 8 -3 5 4631.65 1400.50 4\r\n 8 3 -5 2887.32 1301.80 7\r\n -8 3 5 2275.17 894.810 6\r\n -8 -3 -4 73440.6 4842.27 3\r\n 8 -3 4 67978.8 4279.21 4\r\n -8 -3 -4 70830.7 3581.77 4\r\n 8 -3 4 63853.1 3160.69 7\r\n -8 3 4 66052.0 3432.19 1\r\n -8 3 4 68276.2 3582.71 6\r\n 8 -3 4 66273.1 3751.40 6\r\n -8 -3 -4 66458.8 4052.93 5\r\n 8 3 -4 71556.8 4215.95 7\r\n -8 -3 -3 7931.59 1361.32 5\r\n 8 3 -3 6544.66 375.860 1\r\n -8 3 3 7285.11 1170.10 1\r\n 8 -3 3 6538.42 909.568 7\r\n -8 -3 -3 7126.06 1442.85 3\r\n -8 -3 -3 9118.46 1238.98 4\r\n 8 3 -3 7431.45 1283.61 7\r\n 8 -3 3 6619.21 1345.42 4\r\n -8 3 3 7428.22 1163.46 7\r\n 8 -3 3 8443.35 1346.14 6\r\n -8 3 3 7945.36 1273.80 6\r\n -8 -3 -2 6337.59 1208.34 3\r\n -8 -3 -2 8251.61 1131.77 4\r\n -8 3 2 6610.15 886.918 7\r\n 8 -3 2 7912.18 700.523 7\r\n -8 -3 -2 8829.61 831.966 2\r\n 8 3 -2 7521.83 1168.27 7\r\n 8 -3 2 8456.82 1310.73 4\r\n 8 -3 2 7495.94 1229.25 6\r\n -8 3 2 6858.34 1117.65 6\r\n -8 -3 -2 7928.04 1163.96 5\r\n -8 -3 -1 1196.62 473.873 5\r\n 8 -3 1 1890.33 654.866 4\r\n -8 -3 -1 1670.23 545.513 2\r\n -8 3 1 1775.52 350.121 7\r\n -8 -3 -1 2278.82 654.586 4\r\n -8 3 1 2213.48 752.200 6\r\n 8 -3 0 131134. 3578.52 4\r\n -8 -3 0 132806. 4102.69 4\r\n -8 3 0 128796. 4455.42 6\r\n -8 -3 0 124160. 3929.48 2\r\n 8 -3 0 123353. 3646.53 1\r\n 8 3 0 122599. 2536.10 5\r\n 8 3 1 1563.96 532.200 5\r\n -8 3 -1 1370.18 621.526 3\r\n -8 -3 1 1101.17 718.708 2\r\n 8 -3 -1 1517.16 514.754 1\r\n 8 -3 -1 2013.80 468.333 4\r\n -8 3 -1 2041.28 745.817 6\r\n 8 3 1 1940.75 741.959 4\r\n -8 -3 1 1529.79 541.496 4\r\n 8 -3 -2 7536.43 1169.62 5\r\n -8 3 -2 8591.41 1564.15 3\r\n -8 -3 2 6768.54 1239.97 2\r\n 8 -3 -2 8130.63 964.717 7\r\n 8 -3 -2 6999.15 1106.24 1\r\n -8 3 -2 7860.35 1221.26 6\r\n 8 -3 -2 7852.10 594.841 4\r\n 8 -3 -2 8022.38 1141.28 2\r\n 8 3 2 7972.99 1132.55 4\r\n -8 -3 2 7658.47 1254.54 4\r\n 8 3 2 7755.00 1127.62 5\r\n 8 3 3 7417.54 1346.05 5\r\n 8 -3 -3 6722.25 1260.88 5\r\n -8 3 -3 5624.69 1584.39 3\r\n 8 -3 -3 7335.05 1181.00 7\r\n -8 3 -3 6333.13 1163.86 6\r\n -8 -3 3 4990.25 1196.93 2\r\n 8 3 3 6630.55 1107.98 4\r\n 8 -3 -3 9490.60 1336.99 2\r\n 8 -3 -3 6826.93 1218.63 1\r\n 8 -3 -4 62273.6 3618.02 2\r\n 8 3 4 68723.0 3390.39 4\r\n 8 -3 -4 67359.8 3905.17 7\r\n -8 -3 4 61856.8 3986.34 2\r\n 8 -3 -4 65673.3 3901.63 5\r\n -8 -3 4 70704.0 2188.81 5\r\n 8 -3 -5 3301.93 1201.17 5\r\n -8 -3 5 3698.94 1000.23 2\r\n 8 -3 -5 3400.68 1350.17 7\r\n 8 3 5 3965.11 1061.93 4\r\n 8 -3 -6 2357.84 1024.20 5\r\n -8 -3 6 1931.54 1193.67 2\r\n 8 3 6 1954.25 914.610 4\r\n -8 -4 -6 2547.32 1027.10 5\r\n 8 -4 6 2019.97 1355.45 4\r\n -8 4 6 2778.74 1224.83 1\r\n 8 4 -6 2243.07 1390.13 7\r\n -8 -4 -5 1760.62 841.807 5\r\n 8 -4 5 464.036 1259.15 4\r\n 8 4 -5-96.5723 1140.84 7\r\n -8 4 5 1986.82 767.757 6\r\n -8 4 5 2394.71 1136.20 1\r\n -8 -4 -4 3902.18 1261.07 5\r\n 8 4 -4 3553.77 1348.31 7\r\n -8 -4 -4 492.350 1056.11 3\r\n -8 -4 -4 4363.93 819.948 4\r\n 8 -4 4 5721.81 1554.51 4\r\n -8 4 4 5193.74 1347.50 1\r\n -8 4 4 4487.13 1136.22 6\r\n 8 -4 4 5702.46 1008.89 7\r\n -8 -4 -3 19764.2 2316.35 3\r\n 8 4 -3 19746.0 2152.44 7\r\n 8 -4 3 21251.1 2432.49 4\r\n -8 -4 -3 20686.7 1889.60 4\r\n -8 4 3 22281.6 1959.77 7\r\n 8 -4 3 20983.0 1410.93 7\r\n -8 4 3 20457.9 2015.71 1\r\n -8 -4 -3 21071.4 1185.79 2\r\n -8 -4 -3 21442.2 1256.50 6\r\n -8 4 3 20119.5 2058.09 6\r\n -8 -4 -3 19210.1 2178.10 5\r\n -8 -4 -2 17124.3 1836.39 3\r\n 8 -4 2 18311.1 2030.63 4\r\n -8 -4 -2 20746.7 1768.68 4\r\n -8 -4 -2 20606.1 1487.32 2\r\n -8 4 2 17018.0 1406.60 7\r\n 8 4 -2 18823.6 1825.34 7\r\n -8 4 2 19892.5 2005.51 6\r\n -8 -4 -2 20423.8 1877.08 5\r\n -8 4 1 41006.4 1518.13 7\r\n 8 -4 1 42145.0 2595.26 4\r\n -8 -4 -1 39227.4 2453.23 4\r\n -8 4 1 39231.4 2761.28 6\r\n 8 -4 1 39757.2 2251.10 1\r\n -8 -4 -1 40620.5 2327.19 2\r\n -8 -4 -1 40732.2 2197.84 5\r\n -8 4 0 101197. 3621.37 3\r\n 8 4 0 108268. 4453.78 4\r\n 8 -4 0 104442. 3461.82 4\r\n 8 -4 0 103697. 3695.05 1\r\n -8 4 0 107812. 4448.04 6\r\n -8 -4 0 103405. 4043.25 2\r\n -8 -4 0 110484. 4092.23 4\r\n -8 -4 0 105015. 2673.83 5\r\n 8 4 0 106336. 2430.27 5\r\n -8 4 -1 40406.6 2711.34 3\r\n 8 -4 -1 44770.2 2581.19 1\r\n -8 -4 1 38907.9 2740.00 2\r\n 8 -4 -1 39311.2 1758.72 4\r\n 8 -4 -1 41161.4 2519.87 2\r\n 8 4 1 40923.6 2618.90 4\r\n 8 -4 -1 41324.9 2801.53 6\r\n -8 4 -1 38343.0 2823.66 6\r\n -8 -4 1 42413.1 2731.07 4\r\n 8 4 1 39169.4 2056.39 5\r\n -8 4 -2 20183.6 2324.18 3\r\n 8 -4 -2 19064.5 1848.76 2\r\n 8 -4 -2 20552.8 852.357 4\r\n 8 4 2 19900.9 1803.25 4\r\n -8 4 -2 20043.2 2124.94 6\r\n -8 -4 2 21252.8 2184.69 2\r\n 8 4 2 20404.7 1828.76 5\r\n 8 -4 -2 20637.2 1958.33 5\r\n -8 -4 3 19446.6 2314.09 2\r\n 8 4 3 19259.1 1823.76 4\r\n 8 -4 -3 22168.5 2248.72 5\r\n 8 4 4 5618.99 1228.90 4\r\n 8 -4 -4 5262.53 1431.63 5\r\n -8 -4 4 4234.66 1358.34 2\r\n 8 -4 -5 557.101 1063.13 5\r\n -8 -4 5 1689.37 1044.24 2\r\n 8 4 5 2533.04 766.129 4\r\n 8 -4 -6 2853.07 1605.17 5\r\n -8 -4 6 5021.05 1371.70 2\r\n -8 -5 -6 4109.23 1739.84 5\r\n 8 -5 6-715.017 1588.24 4\r\n 8 5 -6 5081.86 1572.96 7\r\n -8 5 6 1944.07 1248.33 1\r\n -8 -5 -5 2999.93 1200.73 5\r\n 8 -5 5 2415.33 1361.91 4\r\n -8 5 5 4908.62 1018.85 6\r\n 8 5 -5 4306.64 1325.81 7\r\n -8 5 5 3803.47 1291.98 1\r\n -8 -5 -4 1815.40 972.191 5\r\n 8 -5 4 169.223 813.615 4\r\n 8 5 -4 1147.45 756.338 7\r\n -8 -5 -4 508.885 653.648 4\r\n -8 5 4 625.665 785.041 1\r\n -8 5 4 729.777 768.794 6\r\n 8 5 -3 24104.2 2455.04 7\r\n -8 -5 -3 24076.1 2494.63 3\r\n 8 -5 3 24318.7 2703.31 4\r\n -8 -5 -3 24938.2 2095.34 4\r\n -8 5 3 27361.5 2272.35 7\r\n 8 -5 3 22936.3 1772.14 1\r\n -8 5 3 21707.9 2269.40 6\r\n -8 -5 -3 26035.6 1662.25 2\r\n -8 5 3 24326.2 2331.64 1\r\n -8 -5 -3 25812.2 1672.31 6\r\n -8 -5 -3 23279.9 2390.31 5\r\n -8 -5 -2 27882.4 2274.30 3\r\n 8 -5 2 25796.8 2540.64 4\r\n -8 -5 -2 27022.1 2121.80 4\r\n 8 -5 2 25362.1 1960.66 1\r\n -8 5 2 27198.2 1851.21 7\r\n -8 -5 -2 28442.4 2072.06 2\r\n -8 5 2 25545.6 2463.27 6\r\n 8 5 -2 29678.0 2494.43 7\r\n -8 -5 -2 27836.5 2326.28 5\r\n 8 5 -2 25552.0 1312.69 1\r\n 8 -5 1 23396.8 2145.54 4\r\n 8 -5 1 25866.3 1987.32 1\r\n -8 -5 -1 21441.5 1934.05 4\r\n -8 5 1 24657.3 1307.38 7\r\n -8 5 1 23128.9 2361.60 6\r\n -8 -5 -1 24460.9 1887.92 5\r\n -8 -5 0 445.627 414.610 5\r\n -8 5 0 525.086 465.264 3\r\n 8 -5 0 649.470 547.115 1\r\n 8 -5 0 928.518 489.697 4\r\n -8 5 0 1229.63 681.476 6\r\n -8 -5 0 1155.08 710.532 4\r\n -8 5 -1 23285.3 2226.77 3\r\n 8 -5 -1 26113.5 1593.33 4\r\n 8 5 1 17868.2 2155.29 4\r\n -8 5 -1 21596.3 2394.71 6\r\n -8 -5 1 22177.8 855.118 5\r\n -8 -5 1 24585.5 2476.32 2\r\n 8 5 1 23936.6 1680.99 5\r\n -8 -5 2 29747.8 2847.35 2\r\n 8 -5 -2 26191.2 997.311 4\r\n 8 5 2 28345.0 2401.40 4\r\n -8 5 -2 22274.8 2512.25 6\r\n 8 5 2 25334.2 2102.00 5\r\n 8 -5 -2 27857.4 2430.90 5\r\n -8 5 -3 26364.0 1740.08 7\r\n 8 5 3 24563.1 2195.66 4\r\n -8 -5 3 23753.2 2728.50 2\r\n 8 -5 -3 23822.4 2439.38 5\r\n 8 -5 -4-274.243 1027.17 5\r\n -8 -5 4-1772.05 1140.37 2\r\n 8 5 4 639.016 672.002 4\r\n -8 5 -4 1048.75 571.445 7\r\n 8 -5 -5 2755.43 1272.51 5\r\n -8 -5 5 4673.55 1264.52 2\r\n 8 5 5 3231.03 927.577 4\r\n 8 -5 -6 6363.11 1746.42 5\r\n -8 -5 6 5437.35 1562.27 2\r\n 8 5 6 4028.34 1539.05 1\r\n -8 -6 -5-3620.49 1465.53 5\r\n 8 6 -5-72.6462 967.708 7\r\n 8 -6 5-2453.60 1624.30 4\r\n -8 6 5 515.378 1086.71 1\r\n -8 -6 -4 2502.25 1232.75 5\r\n 8 -6 4 2670.11 1307.92 4\r\n -8 6 4 1868.49 1180.03 1\r\n 8 6 -4 874.400 880.177 7\r\n -8 6 4 494.638 513.141 6\r\n -8 -6 -3 2502.04 978.987 5\r\n 8 6 -3 1194.75 952.792 7\r\n 8 -6 3 1111.52 639.465 1\r\n -8 -6 -3 1382.01 892.122 3\r\n -8 6 3 3412.29 914.901 7\r\n -8 6 3 2856.38 1117.54 6\r\n 8 -6 3 1459.82 1284.67 4\r\n -8 -6 -3 2302.21 841.362 4\r\n -8 -6 -3 2085.06 714.156 2\r\n -8 6 3 1275.26 824.065 1\r\n -8 -6 -2 4438.67 1172.28 5\r\n -8 -6 -2 5369.54 1153.33 3\r\n 8 6 -2 5267.57 734.902 1\r\n 8 -6 2 6115.91 1504.20 4\r\n -8 6 2 5520.25 972.471 7\r\n 8 6 -2 5817.63 1444.27 7\r\n -8 -6 -2 5766.59 1202.57 4\r\n -8 -6 -2 5730.90 1070.12 6\r\n -8 6 2 5491.24 1415.21 6\r\n -8 6 1 28346.1 1596.84 3\r\n 8 -6 1 27660.3 2554.77 4\r\n -8 6 1 30012.2 1589.04 7\r\n -8 6 1 23037.1 2602.67 6\r\n -8 -6 -1 25622.4 2099.75 5\r\n 8 6 -1 27029.1 1868.86 1\r\n -8 6 0 19535.7 1691.83 3\r\n 8 6 0 16168.9 1646.04 1\r\n 8 -6 0 17051.0 1772.92 4\r\n -8 6 0 16146.1 2286.87 6\r\n -8 -6 0 16571.3 1429.37 5\r\n 8 -6 -1 28834.6 1874.02 4\r\n -8 6 -1 26954.5 2857.18 6\r\n -8 -6 1 30186.4 1359.18 5\r\n 8 -6 -2 5935.90 603.355 4\r\n 8 -6 -2 4980.84 1278.44 5\r\n 8 -6 -2 5427.40 539.112 4\r\n -8 6 -2 6142.66 564.476 7\r\n -8 -6 2 5765.66 1500.15 2\r\n 8 6 2 5344.16 1374.40 4\r\n 8 -6 -3 632.580 911.449 5\r\n -8 6 -3 1800.27 530.013 7\r\n -8 -6 3 2879.18 1362.11 2\r\n 8 6 3 499.126 845.711 4\r\n 8 -6 -4 2957.01 1219.68 5\r\n -8 6 -4 1143.02 593.887 7\r\n 8 6 4 667.912 1013.67 1\r\n -8 -6 4 1858.10 1127.19 2\r\n 8 6 4 935.502 777.287 4\r\n 8 -6 -5 1354.28 964.267 5\r\n 8 6 5 915.014 721.909 1\r\n -8 -7 -4 4674.76 1405.36 5\r\n 8 -7 4 4509.03 1813.28 4\r\n 8 7 -4 3761.11 1375.25 7\r\n -8 7 4 6715.37 1664.00 1\r\n -8 7 4 6601.12 1499.04 6\r\n -8 -7 -3 5703.27 1417.94 5\r\n 8 -7 3 6167.72 1862.47 4\r\n -8 7 3 5878.96 1457.31 1\r\n -8 7 3 4509.09 1550.10 6\r\n 8 7 -3 3932.22 1252.27 7\r\n -8 -7 -3 5065.56 1181.31 2\r\n -8 -7 -2 13117.8 1915.61 5\r\n 8 7 -2 15397.3 1291.75 1\r\n 8 7 -2 16122.3 2084.43 7\r\n 8 -7 2 14165.3 2345.42 4\r\n -8 7 2 13426.4 2203.96 6\r\n -8 -7 -1 775.603 596.184 5\r\n 8 7 -1 610.240 467.503 1\r\n 8 -7 1 1097.66 863.553 4\r\n -8 7 1 624.311 789.973 6\r\n -8 -7 0 3897.50 859.606 5\r\n -8 7 0 4799.65 1280.77 6\r\n 8 7 0 4906.85 1030.97 1\r\n 8 -7 0 3771.64 983.886 4\r\n -8 -7 1 661.266 253.030 5\r\n 8 -7 -1 162.591 568.117 4\r\n 8 7 1 1125.13 718.930 1\r\n 8 -7 -2 15548.2 2303.47 5\r\n -8 -7 2 18510.2 2733.36 2\r\n 8 7 2 16525.4 2207.93 1\r\n 8 -7 -3 7228.87 1759.65 5\r\n 8 7 3 3985.86 1270.52 1\r\n -8 -7 3 6888.30 1808.26 2\r\n 8 -7 -4 5905.04 1563.96 5\r\n 8 7 4 3893.15 1499.19 1\r\n -8 -7 4 4364.76 1677.30 2\r\n -8 -8 -3 666.035 665.009 5\r\n 8 -8 3 85.3721 1232.80 4\r\n 8 8 -3-948.553 1011.96 7\r\n -8 8 3-448.170 557.098 6\r\n -8 -8 -2-134.301 561.124 5\r\n 8 -8 2 765.113 1256.32 4\r\n 8 8 -2 135.050 1046.34 7\r\n -8 8 2-286.737 1120.78 6\r\n -8 -8 -1 7385.84 1486.44 5\r\n 8 -8 1 9976.40 1819.99 4\r\n 8 8 -1 8243.69 1292.21 1\r\n -8 -8 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484.411 4\r\n -9 0 -2 741.234 465.901 6\r\n 9 0 -2 1420.12 636.919 4\r\n 9 0 2 940.256 394.301 2\r\n -9 0 -3 33604.3 3029.41 3\r\n 9 0 -3 33216.6 1793.00 1\r\n -9 0 3 32964.0 2214.67 7\r\n -9 0 -3 33783.6 2487.78 4\r\n 9 0 3 32192.2 2329.78 4\r\n -9 0 -3 31952.4 1766.04 6\r\n 9 0 3 29136.1 2009.74 7\r\n -9 0 3 33770.9 1994.30 4\r\n 9 0 -3 35176.0 2458.04 7\r\n 9 0 3 32284.3 1416.68 2\r\n -9 0 3 30753.6 2317.65 2\r\n 9 0 -3 34007.1 2454.13 2\r\n 9 0 -3 33414.1 1966.97 5\r\n -9 0 -4 13843.9 2378.13 3\r\n 9 0 4 15717.0 1861.60 4\r\n -9 0 4 13096.5 1494.36 4\r\n -9 0 4 13281.3 1730.86 2\r\n 9 0 4 14579.7 853.986 2\r\n 9 0 -4 14620.2 1892.74 7\r\n 9 0 -4 13382.9 1554.65 5\r\n 9 0 -4 13801.4 1288.49 1\r\n -9 0 5 444.535 635.222 2\r\n 9 0 -5 62.6454 602.533 5\r\n 9 0 -5 494.056 767.012 7\r\n 9 0 5 1068.02 999.328 4\r\n -9 0 5 556.958 507.589 4\r\n 9 0 -6 1591.14 896.864 5\r\n 9 0 -6-119.597 1185.30 7\r\n 9 0 6-72.1309 870.440 4\r\n -9 0 6 524.693 724.529 2\r\n 9 0 -7-645.773 752.877 5\r\n 9 0 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28078.3 1968.28 7\r\n -9 1 3 26079.6 2098.56 2\r\n -9 -1 -3 26628.5 1416.43 6\r\n 9 1 -3 26639.9 2300.65 2\r\n 9 -1 3 28620.3 1975.39 6\r\n 9 -1 3 25486.3 1828.57 7\r\n 9 1 -3 25302.6 1569.32 5\r\n -9 -1 -2 820.857 776.520 3\r\n 9 1 -2 285.838 265.660 5\r\n 9 -1 2 507.092 374.284 7\r\n 9 -1 2 323.906 390.330 2\r\n -9 -1 -2 1368.53 483.202 4\r\n 9 1 -2 373.677 642.342 7\r\n -9 1 2 540.503 446.868 7\r\n -9 1 2 534.431 290.792 4\r\n -9 -1 -2 687.574 278.783 2\r\n -9 -1 -2 672.765 436.550 6\r\n 9 -1 2 719.732 493.089 6\r\n -9 1 2 1020.35 759.115 2\r\n 9 1 -2 652.900 648.398 4\r\n 9 1 -1 1702.69 661.937 7\r\n -9 -1 -1 1535.14 620.700 4\r\n -9 1 1 1926.52 504.691 4\r\n -9 1 1 1356.07 627.448 2\r\n 9 -1 1 2054.95 547.347 2\r\n -9 -1 -1 2151.57 472.568 2\r\n -9 1 0 27396.6 1648.71 4\r\n 9 -1 0 25175.9 1544.64 4\r\n -9 -1 0 26953.9 1705.53 4\r\n -9 1 0 25283.5 1586.99 2\r\n 9 1 0 26741.2 1683.92 2\r\n -9 -1 0 27838.1 1684.63 2\r\n -9 1 0 28219.6 1923.73 6\r\n -9 -1 1 1406.60 591.415 2\r\n 9 -1 -1 1089.83 415.389 7\r\n -9 1 -1 2286.47 672.712 4\r\n -9 -1 1 1730.24 511.628 4\r\n 9 -1 -1 893.700 478.067 4\r\n 9 1 1 1786.67 492.077 2\r\n -9 1 -1 1398.09 548.795 6\r\n 9 1 1 1826.38 510.681 5\r\n 9 1 2 822.399 474.694 5\r\n -9 -1 2 343.656 619.284 2\r\n 9 -1 -2 565.829 441.232 5\r\n 9 1 2 360.270 313.717 2\r\n -9 1 -2 476.901 402.000 4\r\n 9 1 2 352.460 525.348 4\r\n 9 -1 -2 333.040 481.132 7\r\n -9 1 -2 419.044 481.429 6\r\n -9 -1 2 551.781 421.597 4\r\n 9 -1 -2 374.715 347.847 1\r\n 9 -1 -2 797.358 438.297 4\r\n 9 -1 -3 29211.6 1891.36 1\r\n 9 -1 -3 26700.9 2155.23 2\r\n 9 1 3 27557.4 2136.23 4\r\n 9 -1 -3 23091.6 2049.67 7\r\n -9 -1 3 26288.5 2010.25 4\r\n -9 -1 3 25705.7 2062.27 7\r\n -9 -1 3 25716.1 2219.89 2\r\n -9 1 -3 24134.9 1786.14 6\r\n 9 1 3 24139.0 853.832 2\r\n 9 1 3 26953.1 2272.12 5\r\n 9 -1 -3 26844.1 1951.99 5\r\n -9 1 -4 21532.6 2966.41 3\r\n 9 1 4 20788.0 2135.59 4\r\n -9 -1 4 21772.3 2110.80 4\r\n 9 -1 -4 25613.0 2400.33 2\r\n 9 -1 -4 19621.7 2249.65 7\r\n -9 -1 4 21815.9 2276.96 2\r\n 9 -1 -4 20751.9 2054.26 5\r\n 9 -1 -4 22505.9 1826.06 1\r\n 9 -1 -5 8784.61 1672.40 5\r\n -9 -1 5 9453.24 1799.14 2\r\n 9 1 5 8286.89 1577.22 4\r\n 9 -1 -5 8357.33 1908.55 7\r\n 9 -1 -6 6351.56 1508.19 5\r\n -9 -1 6 6379.87 1415.35 2\r\n 9 -1 -6 6416.07 1810.67 7\r\n 9 1 6 6187.95 1556.65 4\r\n -9 -1 7 2555.59 975.812 2\r\n 9 -1 -7 5520.80 1490.53 5\r\n 9 -1 -7 1732.91 1327.73 7\r\n 9 1 7 3312.67 1388.16 4\r\n 9 2 -7-65.1027 1176.29 7\r\n 9 -2 7 26.3694 1134.94 4\r\n -9 2 7-456.598 532.312 2\r\n 9 2 -6 2253.34 1003.52 7\r\n 9 -2 6 1777.71 1255.25 4\r\n -9 2 6 2353.07 766.261 2\r\n -9 2 6-635.008 664.127 6\r\n -9 -2 -6 1300.78 858.201 5\r\n 9 2 -6 128.229 856.818 5\r\n 9 2 -5 9082.10 1794.06 7\r\n -9 2 5 8221.14 843.666 4\r\n 9 -2 5 7931.51 1785.13 4\r\n -9 2 5 8296.65 1414.89 2\r\n 9 -2 5 9784.47 1487.79 6\r\n 9 2 -5 9150.27 1285.65 5\r\n -9 -2 -5 8027.80 1691.08 5\r\n 9 2 -4 1498.44 546.670 5\r\n -9 -2 -4 2318.88 1199.11 3\r\n 9 -2 4 1382.09 805.478 7\r\n -9 -2 -4 653.014 707.254 4\r\n 9 -2 4 1466.68 993.614 4\r\n 9 2 -4 1011.68 842.259 7\r\n -9 2 4 823.129 354.502 4\r\n -9 2 4 1041.00 696.155 2\r\n 9 -2 4 1262.55 623.138 6\r\n -9 -2 -4 1619.06 888.557 5\r\n -9 -2 -3 9449.69 1835.62 3\r\n 9 2 -3 11059.3 816.316 1\r\n -9 -2 -3 13138.0 1534.38 4\r\n 9 -2 3 10576.1 1628.48 4\r\n -9 2 3 8523.65 772.789 4\r\n 9 -2 3 9872.95 1169.36 7\r\n -9 2 3 10828.1 1408.37 2\r\n -9 -2 -3 9920.58 778.176 6\r\n -9 2 3 10469.7 1294.95 7\r\n 9 -2 3 8821.15 1331.69 6\r\n 9 2 -3 10529.6 1528.38 7\r\n -9 -2 -3 10593.7 1542.88 5\r\n 9 2 -3 11017.9 871.625 5\r\n -9 -2 -2 43680.9 2917.84 3\r\n -9 -2 -2 39638.0 2434.43 4\r\n -9 2 2 42717.2 1692.41 4\r\n 9 -2 2 45830.4 1855.86 7\r\n -9 2 2 44186.3 2432.17 2\r\n -9 2 2 41476.9 1959.78 7\r\n 9 2 -2 44054.4 2518.67 7\r\n -9 -2 -2 43217.8 1577.64 2\r\n 9 -2 2 38114.7 2465.14 6\r\n -9 2 2 41420.1 2600.80 6\r\n -9 -2 -2 45875.0 2518.03 5\r\n 9 2 -2 43520.0 1113.13 5\r\n 9 -2 1 22743.2 1903.78 6\r\n -9 2 1 23012.8 1410.65 4\r\n 9 -2 1 24555.9 1818.16 4\r\n -9 -2 -1 28085.3 1902.95 4\r\n 9 -2 1 24727.9 947.310 7\r\n 9 -2 1 26563.8 1744.20 2\r\n -9 2 1 25983.7 1203.45 7\r\n -9 -2 -1 24843.0 1522.73 2\r\n -9 2 1 24137.4 1967.42 6\r\n 9 2 -1 25892.5 865.769 5\r\n -9 2 0 112581. 3422.80 4\r\n 9 2 0 120473. 3769.73 2\r\n 9 -2 0 112550. 3255.51 4\r\n -9 2 0 108916. 3898.81 6\r\n -9 -2 0 111503. 3678.35 4\r\n 9 -2 0 111166. 1809.78 7\r\n -9 -2 0 113765. 3580.08 2\r\n 9 2 0 113519. 2623.10 5\r\n -9 2 -1 25073.6 1901.13 4\r\n 9 -2 -1 26516.7 1437.10 4\r\n -9 -2 1 25671.8 1855.22 4\r\n 9 -2 -1 26098.8 1364.75 7\r\n -9 -2 1 26569.8 2003.42 2\r\n -9 2 -1 25146.0 1949.10 6\r\n 9 2 1 24597.2 1562.71 2\r\n 9 -2 -1 28601.0 1780.74 1\r\n 9 2 1 24330.6 1607.80 5\r\n -9 2 -2 44869.9 3143.08 3\r\n 9 -2 -2 42468.4 2510.96 2\r\n 9 -2 -2 43669.9 2353.58 1\r\n 9 2 2 41859.8 2371.16 4\r\n -9 -2 2 44629.3 2593.65 4\r\n -9 -2 2 47197.9 2823.36 2\r\n -9 2 -2 43062.3 2527.53 6\r\n 9 -2 -2 43082.9 1722.60 4\r\n 9 2 2 43983.5 2542.97 5\r\n 9 -2 -2 44263.3 2312.64 7\r\n 9 -2 -3 11545.6 1457.79 2\r\n 9 -2 -3 12136.7 1410.95 1\r\n 9 2 3 10967.6 1555.68 5\r\n 9 -2 -3 11573.1 1539.41 7\r\n -9 2 -3 10538.9 1937.08 3\r\n 9 2 3 10530.2 1358.26 4\r\n -9 -2 3 8913.00 1523.01 2\r\n -9 -2 3 10113.1 1432.28 4\r\n -9 2 -3 12881.8 1532.96 6\r\n 9 -2 -3 11029.2 1404.22 5\r\n 9 -2 -4 1071.97 937.883 5\r\n -9 -2 4 995.556 923.174 2\r\n -9 2 -4 171.864 1503.81 3\r\n 9 2 4 1406.00 814.802 4\r\n 9 -2 -4 2702.72 787.926 1\r\n 9 -2 -4 836.702 708.675 7\r\n 9 -2 -5 7305.23 1674.67 7\r\n 9 -2 -5 7248.22 1550.97 5\r\n -9 -2 5 7902.61 1630.21 2\r\n 9 2 5 8502.75 1611.22 4\r\n 9 -2 -6 289.455 1090.44 5\r\n -9 -2 6 1505.06 1047.68 2\r\n 9 -2 -6 1095.01 789.618 7\r\n 9 2 6 1833.12 1083.45 4\r\n 9 -2 -7-855.707 1160.56 5\r\n -9 -2 7 1444.42 889.956 2\r\n 9 2 7-1253.60 1130.18 4\r\n -9 3 6 6029.13 1288.65 1\r\n 9 -3 6 5373.04 1755.89 4\r\n 9 3 -6 3879.90 1357.01 7\r\n -9 3 6 5324.24 1283.78 6\r\n -9 -3 -6 7484.81 1870.78 5\r\n 9 -3 5 5000.11 1529.64 4\r\n -9 3 5 4220.24 1174.10 1\r\n 9 3 -5 4120.03 1510.69 7\r\n -9 3 5 2969.61 985.825 6\r\n -9 -3 -5 4695.76 1403.14 5\r\n -9 -3 -4 3116.43 1122.09 5\r\n -9 -3 -4 3646.91 1560.67 3\r\n -9 3 4 4771.03 1225.48 1\r\n -9 -3 -4 3087.83 984.921 4\r\n 9 -3 4 3969.51 1461.04 4\r\n 9 -3 4 3055.91 955.994 7\r\n 9 3 -4 3187.85 1255.01 7\r\n -9 3 4 3479.53 1103.09 6\r\n -9 -3 -3 2787.82 1126.90 3\r\n -9 3 3 2499.59 330.011 4\r\n 9 3 -3 2855.52 353.558 1\r\n -9 -3 -3 2835.56 752.351 4\r\n -9 -3 -3 2891.32 295.330 2\r\n 9 -3 3 2706.78 1011.35 4\r\n 9 -3 3 3000.57 713.573 7\r\n -9 3 3 3282.74 831.471 7\r\n 9 3 -3 1847.13 918.109 7\r\n 9 -3 3 2754.96 911.159 6\r\n -9 -3 -3 3521.87 1030.08 5\r\n -9 3 3 3092.11 983.169 6\r\n -9 -3 -2 8124.04 1370.73 3\r\n -9 3 2 7184.46 706.229 4\r\n 9 -3 2 9474.07 1423.19 4\r\n -9 -3 -2 9176.26 1254.00 4\r\n 9 -3 2 9153.08 738.902 7\r\n -9 3 2 7606.31 922.592 7\r\n -9 -3 -2 7769.21 831.629 2\r\n 9 -3 2 8849.47 1386.74 6\r\n -9 3 2 7520.62 1261.82 6\r\n -9 -3 -2 7986.62 1170.66 5\r\n 9 3 -2 8592.01 1284.02 7\r\n -9 3 1 39875.3 1361.88 7\r\n -9 3 1 35302.6 1830.32 4\r\n 9 -3 1 38831.7 2354.80 4\r\n -9 -3 -1 40570.7 2385.51 4\r\n -9 -3 -1 37268.6 2021.53 2\r\n -9 3 1 39557.4 2599.15 6\r\n -9 -3 -1 37626.3 1966.59 5\r\n 9 -3 0 5140.79 844.145 1\r\n 9 -3 0 5358.76 867.096 4\r\n -9 -3 0 7667.46 1115.16 2\r\n -9 -3 0 5633.00 969.818 4\r\n -9 3 0 4850.58 1052.36 6\r\n 9 3 0 5337.28 625.227 5\r\n -9 3 -1 39282.1 2641.81 3\r\n 9 -3 -1 38331.5 1696.21 4\r\n 9 -3 -1 38420.8 2275.94 1\r\n -9 -3 1 34144.8 2360.20 4\r\n 9 3 1 37719.2 2366.98 4\r\n -9 -3 1 37694.7 2506.56 2\r\n -9 3 -1 37626.0 2584.82 6\r\n 9 -3 -1 38864.1 1501.74 7\r\n 9 3 1 37883.2 2032.48 5\r\n 9 -3 -2 9361.67 1223.01 1\r\n -9 3 -2 8564.08 1585.03 3\r\n 9 -3 -2 8303.88 1004.17 7\r\n 9 -3 -2 8660.16 706.832 4\r\n -9 -3 2 8470.72 1328.05 2\r\n -9 3 -2 7492.73 1226.54 6\r\n 9 3 2 8089.62 1201.05 4\r\n -9 -3 2 7750.30 1248.30 4\r\n 9 3 2 7717.67 1116.44 5\r\n 9 -3 -2 8290.06 1229.21 2\r\n 9 -3 -3 2302.47 881.064 2\r\n 9 -3 -3 2326.03 825.554 5\r\n -9 3 -3 2529.31 1200.70 3\r\n -9 -3 3 3049.65 1105.30 2\r\n 9 -3 -3 1539.67 732.667 7\r\n -9 3 -3 3046.94 934.800 6\r\n 9 3 3 3147.77 873.907 4\r\n 9 -3 -4 3241.08 1204.59 5\r\n -9 -3 4 5553.49 1326.07 2\r\n 9 -3 -4 5081.72 1372.52 7\r\n 9 3 4 3656.60 1079.71 4\r\n 9 -3 -5 4061.67 1343.44 5\r\n -9 -3 5 3951.90 1231.02 2\r\n 9 -3 -5 3394.05 1155.74 7\r\n 9 3 5 3599.13 1136.84 4\r\n 9 -3 -6 4754.19 1384.10 5\r\n -9 -3 6 4956.45 1497.95 2\r\n 9 3 6 4466.41 1305.43 4\r\n -9 4 6 2423.24 899.937 1\r\n 9 4 -6 1826.04 1516.15 7\r\n 9 -4 6 2518.60 1406.17 4\r\n -9 -4 -6 2293.67 1228.45 5\r\n -9 -4 -5 4298.15 1361.35 5\r\n 9 4 -5 3754.86 1380.02 7\r\n 9 -4 5 3631.64 1217.57 4\r\n -9 4 5 3921.10 1066.35 6\r\n -9 4 5 3154.68 1111.19 1\r\n 9 -4 4 17720.8 2422.50 4\r\n -9 -4 -4 17164.1 1943.44 4\r\n -9 -4 -4 16604.7 2581.16 3\r\n 9 4 -4 14971.9 2131.44 7\r\n 9 -4 4 18176.0 1617.72 7\r\n -9 4 4 14625.2 1943.63 1\r\n -9 4 4 19590.2 2166.29 6\r\n -9 -4 -4 18598.4 2362.17 5\r\n -9 -4 -3 46328.7 3466.83 3\r\n 9 -4 3 43697.3 3324.54 4\r\n -9 -4 -3 42221.3 2757.16 4\r\n -9 4 3 41511.0 2597.32 7\r\n -9 -4 -3 42944.5 1671.59 2\r\n -9 4 3 39062.4 2870.12 6\r\n 9 -4 3 40722.1 1885.36 7\r\n 9 4 -3 41183.8 2981.06 7\r\n -9 -4 -3 38751.7 2980.03 5\r\n -9 -4 -2 7780.47 1276.15 5\r\n -9 -4 -2 8432.24 1429.06 3\r\n -9 4 2 6651.81 1324.58 6\r\n -9 -4 -2 10114.1 1272.63 4\r\n -9 4 2 7976.85 986.323 7\r\n 9 -4 2 7460.78 1417.46 4\r\n 9 4 -2 8304.14 1402.95 7\r\n -9 -4 -2 8193.56 978.075 2\r\n 9 -4 1 38357.7 2548.22 4\r\n -9 -4 -1 40598.9 2568.77 4\r\n -9 4 1 41991.7 1414.66 7\r\n 9 -4 1 42901.2 2401.76 1\r\n -9 4 1 36298.7 2705.24 6\r\n -9 -4 -1 44441.4 2479.18 2\r\n 9 -4 1 40164.9 2945.37 6\r\n -9 -4 -1 41592.3 2254.37 5\r\n -9 -4 0 1204.49 809.741 2\r\n 9 4 0 1161.45 344.349 5\r\n 9 -4 0 1087.91 585.881 4\r\n -9 4 0 563.082 678.001 6\r\n -9 -4 0 810.437 580.223 4\r\n 9 -4 0 1518.86 580.775 1\r\n 9 -4 0 1238.51 737.708 6\r\n 9 4 0 1396.08 793.075 4\r\n -9 -4 0 1097.41 412.341 5\r\n -9 4 -1 41863.2 2857.58 3\r\n 9 -4 -1 42090.3 2568.85 1\r\n 9 -4 -1 43645.4 1937.53 4\r\n 9 -4 -1 45764.4 2780.67 2\r\n -9 -4 1 40052.7 2713.58 4\r\n -9 -4 1 46052.5 3043.01 2\r\n 9 4 1 33954.5 2513.02 4\r\n -9 4 -1 42644.3 2972.67 6\r\n 9 -4 -1 44385.8 2987.66 6\r\n 9 4 1 41454.5 2134.20 5\r\n 9 -4 -2 8194.67 1318.04 5\r\n -9 4 -2 6060.03 1458.25 3\r\n 9 -4 -2 7867.45 633.322 4\r\n 9 4 2 8340.78 1260.05 4\r\n -9 -4 2 7269.50 1460.36 2\r\n -9 4 -2 8759.82 1469.98 6\r\n 9 4 2 8027.56 1237.29 5\r\n 9 4 3 40031.1 2662.87 4\r\n -9 4 -3 39639.8 3134.50 6\r\n -9 -4 3 39647.4 3280.53 2\r\n 9 -4 -3 38362.0 2931.32 5\r\n 9 4 4 16922.8 1841.39 4\r\n -9 -4 4 18452.3 2464.26 2\r\n 9 -4 -4 17423.2 2310.95 5\r\n 9 -4 -5 2294.15 1125.29 5\r\n -9 -4 5 2092.72 1110.49 2\r\n 9 4 5 3168.21 920.748 4\r\n 9 -4 -6-1168.82 1141.18 5\r\n -9 -4 6 2070.67 1091.03 2\r\n 9 4 6 450.642 771.280 4\r\n -9 -5 -6 4482.04 1316.88 5\r\n 9 -5 6 1119.03 1477.40 4\r\n 9 5 -6 2420.24 1508.04 7\r\n -9 5 6 1607.42 1150.03 1\r\n -9 -5 -5 404.968 939.927 5\r\n 9 -5 5-1301.01 1106.07 4\r\n 9 5 -5-2919.42 1242.94 7\r\n -9 5 5 1349.89 699.638 6\r\n -9 5 5 3563.79 1057.87 1\r\n -9 -5 -4 4232.53 1281.55 5\r\n -9 5 4 6339.70 1436.50 1\r\n 9 -5 4 5747.08 1726.11 4\r\n -9 5 4 6366.15 1326.07 6\r\n 9 5 -4 6885.19 1530.64 7\r\n -9 -5 -3 3048.80 1051.26 5\r\n -9 -5 -3 6764.95 1426.75 3\r\n 9 -5 3 5903.85 1470.33 4\r\n -9 -5 -3 4610.52 765.631 2\r\n -9 -5 -3 6429.48 1237.09 4\r\n -9 5 3 2637.86 838.196 7\r\n -9 -5 -3 4405.93 818.780 6\r\n 9 5 -3 5118.89 1316.63 7\r\n -9 5 3 3335.78 1110.19 6\r\n 9 -5 3 5253.47 830.635 1\r\n -9 -5 -2 5544.74 1194.84 5\r\n -9 -5 -2 4344.76 1124.78 3\r\n 9 -5 2 3931.91 1285.76 4\r\n -9 5 2 4712.63 830.902 7\r\n 9 5 -2 7100.58 1447.57 7\r\n 9 -5 2 4927.79 942.796 1\r\n -9 -5 -2 6038.80 1034.81 2\r\n -9 -5 -2 6164.98 1124.46 4\r\n -9 5 2 4998.00 1308.71 6\r\n 9 -5 1 10400.6 1498.20 4\r\n 9 -5 1 9968.08 1332.85 1\r\n -9 -5 -1 10912.5 1522.44 4\r\n -9 5 1 9965.51 1596.88 6\r\n -9 5 1 10290.5 770.135 7\r\n -9 -5 -1 9223.20 1239.63 5\r\n -9 -5 -1 11257.7 1512.47 2\r\n -9 -5 0 1839.90 474.535 5\r\n -9 5 0 1802.15 634.674 3\r\n -9 5 0 1944.44 821.988 6\r\n -9 -5 0 2455.61 930.187 2\r\n 9 -5 0 2649.45 788.359 4\r\n -9 5 -1 9903.43 1612.01 3\r\n 9 -5 -1 11409.1 1132.17 4\r\n -9 -5 1 12233.0 1786.56 2\r\n -9 5 -1 10612.9 1781.13 6\r\n 9 5 1 10498.7 1659.13 4\r\n 9 5 1 11083.4 1168.94 5\r\n 9 5 2 5988.69 1112.97 5\r\n 9 -5 -2 4550.50 1183.77 5\r\n -9 5 -2 5726.02 1408.42 3\r\n 9 -5 -2 5312.55 529.550 4\r\n -9 -5 2 5371.43 1415.33 2\r\n -9 5 -2 5022.77 1330.31 6\r\n 9 5 2 4902.33 1202.70 4\r\n 9 -5 -3 5084.25 1281.96 5\r\n -9 -5 3 2401.64 1397.34 2\r\n 9 5 3 4539.76 1122.74 4\r\n 9 -5 -4 4999.27 1605.18 5\r\n -9 -5 4 4516.69 1399.02 2\r\n 9 5 4 5553.68 1232.73 4\r\n 9 -5 -5 409.936 769.786 5\r\n -9 -5 5 323.730 1294.28 2\r\n 9 5 5 630.924 734.191 4\r\n 9 -5 -6 1622.26 1300.43 5\r\n -9 -5 6 918.479 731.775 2\r\n 9 5 6 1699.91 1552.63 1\r\n -9 -6 -5 938.564 623.141 5\r\n -9 6 5 925.904 981.650 1\r\n 9 -6 5-398.214 410.374 4\r\n -9 -6 -4 2952.47 1025.06 5\r\n 9 -6 4 5143.39 1656.80 4\r\n 9 6 -4 2784.69 1098.30 7\r\n -9 6 4 2706.28 962.484 6\r\n -9 6 4 3494.16 1159.32 1\r\n -9 -6 -3 6797.18 1460.75 5\r\n -9 -6 -3 7349.55 1476.16 3\r\n 9 -6 3 6792.89 1719.91 4\r\n 9 6 -3 6540.84 1525.37 7\r\n -9 -6 -3 8458.61 1224.82 2\r\n -9 6 3 5289.99 1409.65 6\r\n -9 -6 -2 1116.00 596.548 5\r\n -9 -6 -2 649.593 752.978 3\r\n 9 -6 2 1222.40 875.208 4\r\n -9 6 2 1019.97 536.518 7\r\n -9 -6 -2-245.274 730.157 2\r\n -9 -6 -2 900.733 737.563 6\r\n -9 6 2 2045.11 966.957 6\r\n 9 6 -2 1057.28 959.499 7\r\n 9 6 -2 651.072 356.553 1\r\n -9 -6 -1 3833.33 946.804 5\r\n -9 6 1 3616.37 743.916 3\r\n 9 -6 1 3733.58 1053.09 4\r\n 9 6 -1 3101.84 759.306 1\r\n -9 6 1 3531.68 1304.49 6\r\n -9 -6 -1 2837.19 1090.30 2\r\n -9 6 1 4587.79 561.163 7\r\n -9 -6 0 1526.28 495.323 5\r\n 9 -6 0 2100.08 696.411 4\r\n -9 6 0 2006.97 680.617 3\r\n -9 6 0 1170.58 819.406 6\r\n -9 -6 0 2624.29 1116.74 2\r\n -9 6 -1 2297.35 960.706 3\r\n 9 -6 -1 3730.84 774.694 4\r\n -9 6 -1 2288.93 1183.97 6\r\n -9 -6 1 4132.91 1474.00 2\r\n -9 -6 1 3628.22 405.364 5\r\n 9 -6 -2 161.933 791.747 5\r\n -9 6 -2 776.332 972.716 6\r\n 9 -6 -2 965.365 297.596 4\r\n -9 -6 2 708.169 1073.20 2\r\n 9 6 2 677.559 930.610 4\r\n 9 -6 -3 4716.27 1317.09 5\r\n -9 -6 3 6047.41 1569.45 2\r\n 9 6 3 7338.09 1522.09 4\r\n 9 -6 -4 3087.43 1297.75 5\r\n -9 -6 4 2432.03 1247.30 2\r\n 9 6 4 2119.75 1009.04 4\r\n 9 -6 -5 1055.93 1063.02 5\r\n -9 -6 5-436.158 670.296 2\r\n 9 6 5-257.599 1272.56 1\r\n -9 -7 -4-2517.54 1222.93 5\r\n 9 7 -4 683.359 1220.97 7\r\n 9 -7 4 47.4326 813.550 4\r\n -9 7 4-1807.73 928.969 6\r\n -9 7 4-26.3751 857.500 1\r\n -9 -7 -3 1920.44 978.786 5\r\n -9 -7 -3 2412.51 962.626 2\r\n 9 7 -3 3055.04 1203.00 7\r\n 9 -7 3 3416.59 1178.51 4\r\n -9 7 3 5566.04 1234.31 6\r\n -9 -7 -2 2520.43 933.519 5\r\n -9 7 2 1722.95 1055.68 6\r\n 9 7 -2 1463.82 883.287 7\r\n -9 -7 -2 1858.92 844.964 2\r\n 9 7 -2 1698.60 494.537 1\r\n 9 -7 2 1387.03 965.613 4\r\n -9 -7 -1 1058.91 546.698 5\r\n 9 -7 1 563.335 763.952 4\r\n -9 7 1 632.066 953.434 6\r\n 9 7 -1 1407.52 503.677 1\r\n -9 -7 0 817.522 369.964 5\r\n 9 -7 0 508.391 566.962 4\r\n 9 7 0-115.854 670.809 1\r\n -9 7 0 219.828 908.140 6\r\n 9 -7 -1 785.956 622.635 4\r\n 9 7 1 597.954 836.329 1\r\n -9 7 -1 2923.32 1231.94 6\r\n -9 -7 1 784.819 799.920 2\r\n 9 -7 -2 2683.05 1109.62 5\r\n 9 7 2 1836.09 1008.45 1\r\n -9 -7 2 966.685 1354.94 2\r\n 9 -7 -3 3306.65 1200.45 5\r\n 9 7 3 2919.19 1237.34 1\r\n -9 -7 3 3586.40 1421.84 2\r\n 9 7 4 162.024 1179.98 1\r\n 9 -7 -4 179.091 876.603 5\r\n -9 -7 4-1522.36 1289.02 2\r\n -9 -8 -3-932.194 993.521 5\r\n 9 -8 3 1131.48 1228.58 4\r\n 9 8 -3 172.461 921.872 7\r\n -9 8 3 3206.98 1122.64 6\r\n -9 -8 -2 2226.82 864.339 5\r\n 9 -8 2 2586.34 1141.70 4\r\n 9 8 -2 1302.58 842.964 7\r\n -9 8 2 1136.23 1161.01 6\r\n -9 -8 -2 1982.49 1034.98 2\r\n -9 -8 -1 2144.53 1025.09 5\r\n 9 8 -1 1725.05 875.196 1\r\n 9 -8 1 2936.35 986.285 4\r\n -9 8 1 2592.89 1114.20 6\r\n 9 8 0-427.590 785.788 1\r\n 9 -8 0 824.868 504.343 4\r\n 9 -8 -1 3536.17 1368.75 5\r\n -9 -8 1 3483.33 1506.75 2\r\n 9 8 1 1942.66 1115.55 1\r\n 9 -8 -2 3401.16 1357.61 5\r\n -9 -8 2 3397.34 1478.48 2\r\n 9 8 2 2527.72 1096.41 1\r\n 9 -8 -3 1319.31 850.604 5\r\n -9 -8 3 1212.12 1368.29 2\r\n 9 8 3-245.805 1081.63 1\r\n 9 -9 1 953.894 827.771 4\r\n 9 9 -1 484.088 1229.69 7\r\n -9 -9 -1-1112.36 1613.72 2\r\n 9 9 0 6.83667 873.379 1\r\n -9 -9 0 1711.09 1385.44 2\r\n 9 9 1 2717.35 878.198 1\r\n -9 -9 1 762.682 922.488 2\r\n -10 0 0 71848.2 2836.06 4\r\n -10 0 0 69997.4 2711.79 2\r\n 10 0 0 66816.9 2731.88 2\r\n -10 0 -1 163970. 4575.16 4\r\n -10 0 1 158354. 4015.55 4\r\n 10 0 -1 161517. 4095.39 4\r\n 10 0 -1 162956. 3751.70 7\r\n -10 0 1 161626. 4498.56 2\r\n 10 0 1 156277. 3806.30 2\r\n -10 0 -1 154307. 4278.99 6\r\n -10 0 -1 162209. 3645.38 2\r\n 10 0 2 3608.33 623.327 2\r\n -10 0 2 3270.50 898.372 2\r\n 10 0 -2 4018.33 829.781 7\r\n -10 0 -2 3740.38 881.579 4\r\n -10 0 2 3294.32 663.915 4\r\n -10 0 -2 3099.45 702.899 6\r\n 10 0 -2 3325.43 803.731 4\r\n 10 0 -2 4235.46 664.111 5\r\n 10 0 2 3936.74 831.381 5\r\n 10 0 3 2855.01 922.347 5\r\n -10 0 3 4067.48 1024.61 2\r\n 10 0 -3 3347.24 746.480 5\r\n -10 0 -3 4158.33 1210.22 3\r\n 10 0 3 2996.21 762.744 7\r\n 10 0 -3 3178.14 906.771 2\r\n -10 0 3 4073.66 822.157 7\r\n 10 0 3 2611.98 920.421 4\r\n 10 0 -3 4851.12 1083.26 7\r\n -10 0 -3 3699.42 738.178 6\r\n -10 0 3 4101.32 744.632 4\r\n -10 0 -3 4075.77 897.163 4\r\n 10 0 -3 4651.16 757.618 1\r\n 10 0 3 3893.27 573.671 2\r\n -10 0 4 6084.83 1257.31 2\r\n 10 0 -4 5071.18 1053.31 5\r\n -10 0 -4 5766.42 879.205 6\r\n -10 0 -4 6675.73 1731.55 3\r\n 10 0 4 6211.56 623.505 2\r\n 10 0 -4 5208.08 1371.92 7\r\n 10 0 4 8781.75 1545.10 4\r\n -10 0 4 6208.12 1012.35 4\r\n 10 0 -4 5652.04 901.098 1\r\n -10 0 5 11650.6 1821.60 2\r\n -10 0 5 13903.9 1755.91 4\r\n 10 0 -5 13007.5 2152.92 7\r\n 10 0 5 13633.4 2060.65 4\r\n 10 0 -5 14184.9 1817.52 5\r\n 10 0 -6 270.129 881.702 5\r\n 10 0 -6 804.229 1372.66 7\r\n 10 0 6 1442.41 984.601 4\r\n -10 0 6 1269.05 677.120 2\r\n 10 0 -7 715.804 532.038 5\r\n 10 0 -7 862.995 1071.64 7\r\n 10 0 7 1866.52 1260.42 4\r\n -10 0 7 569.386 926.130 2\r\n 10 -1 7-75.3278 1191.59 4\r\n -10 1 7 1995.00 917.878 2\r\n 10 1 -6 246.902 756.779 5\r\n 10 1 -6 291.582 976.294 7\r\n 10 -1 6 629.980 1248.10 4\r\n -10 1 6 2471.28 771.457 2\r\n 10 1 -5 4564.27 1027.91 5\r\n -10 -1 -5-728.221 1977.83 3\r\n 10 1 -5 3435.76 1453.73 7\r\n 10 -1 5 4557.05 1425.73 4\r\n 10 -1 5 3004.64 608.475 2\r\n -10 1 5 3301.32 817.492 4\r\n 10 -1 5 3555.04 895.039 6\r\n -10 1 5 3156.03 1174.81 2\r\n 10 1 -4 6930.64 1059.19 5\r\n -10 -1 -4 7509.42 1884.34 3\r\n 10 -1 4 7554.46 898.951 2\r\n 10 -1 4 8364.42 1617.41 4\r\n 10 -1 4 9112.14 1391.96 7\r\n 10 1 -4 6783.65 1461.70 7\r\n -10 -1 -4 8130.33 804.450 6\r\n -10 1 4 6115.17 940.063 4\r\n 10 -1 4 6054.32 978.764 6\r\n -10 1 4 5829.88 1323.44 2\r\n 10 1 -4 6078.72 842.028 1\r\n -10 -1 -3 18011.2 2363.93 3\r\n -10 -1 -3 17988.9 1876.66 4\r\n 10 1 -3 16129.8 1210.44 1\r\n 10 -1 3 18310.7 1968.53 4\r\n -10 1 3 16177.4 1313.10 4\r\n 10 -1 3 16116.5 1494.02 7\r\n 10 -1 3 17836.8 1315.96 2\r\n 10 1 -3 17417.6 1832.31 7\r\n 10 1 -3 16646.3 1861.42 2\r\n -10 1 3 18326.8 1657.55 7\r\n -10 1 3 15171.3 1767.03 2\r\n -10 -1 -3 17237.9 1260.81 6\r\n 10 -1 3 15562.1 1584.08 6\r\n 10 1 -3 15583.2 1287.19 5\r\n -10 -1 -2 42389.9 2579.80 4\r\n -10 1 2 40487.8 1951.22 4\r\n -10 -1 -2 44953.0 1654.22 2\r\n 10 -1 2 45851.0 2091.69 2\r\n 10 1 -2 43415.0 2447.73 7\r\n -10 1 2 43834.2 2193.10 7\r\n 10 1 -2 47185.7 2708.76 4\r\n -10 -1 -2 44025.5 2142.83 6\r\n -10 1 2 43847.3 2538.20 2\r\n 10 1 -2 47408.0 1693.19 5\r\n -10 -1 -2 40227.5 3099.25 3\r\n -10 -1 -1 78940.7 3206.21 4\r\n -10 1 1 68714.3 2564.25 4\r\n 10 1 -1 70693.1 3009.79 4\r\n -10 1 1 74582.6 3033.34 2\r\n 10 -1 1 76064.6 2806.29 2\r\n 10 1 -1 73880.7 2870.53 7\r\n -10 -1 -1 78446.3 2604.83 2\r\n -10 1 0 27533.9 1782.42 4\r\n 10 -1 0 22376.3 1567.46 4\r\n -10 -1 0 28537.3 1852.57 4\r\n -10 1 0 24359.6 1657.55 2\r\n 10 -1 0 26614.0 1793.49 2\r\n 10 1 0 27290.2 1815.89 2\r\n -10 1 0 26957.7 1998.41 6\r\n -10 -1 0 26814.0 1758.13 2\r\n -10 1 -1 72347.7 3125.60 4\r\n -10 -1 1 73676.4 2981.79 4\r\n 10 -1 -1 75647.4 2668.74 4\r\n 10 -1 -1 74467.1 2403.29 7\r\n -10 -1 1 74776.0 3192.54 2\r\n 10 1 1 76155.5 2692.08 2\r\n -10 1 -1 73933.1 3129.73 6\r\n 10 1 1 74491.3 2748.65 5\r\n -10 1 -2 50426.4 2927.27 4\r\n 10 1 2 49026.4 2626.24 4\r\n -10 -1 2 45330.8 2471.69 4\r\n 10 -1 -2 44973.4 2253.28 1\r\n 10 -1 -2 44265.5 2337.46 7\r\n 10 -1 -2 44553.2 2128.30 4\r\n 10 1 2 44165.7 1814.32 2\r\n -10 1 -2 41517.4 2384.10 6\r\n -10 -1 2 45014.7 2739.11 2\r\n 10 1 2 45457.9 2581.07 5\r\n -10 1 -3 15024.3 2275.31 3\r\n 10 -1 -3 18260.0 1558.59 1\r\n -10 1 -3 20697.8 2127.38 4\r\n 10 1 3 17506.5 1830.02 4\r\n -10 -1 3 13893.3 1557.33 4\r\n 10 -1 -3 15365.0 1714.76 7\r\n -10 -1 3 16128.0 1671.34 7\r\n -10 -1 3 15257.2 1784.71 2\r\n 10 -1 -3 16339.8 1780.85 2\r\n 10 1 3 17204.4 885.830 2\r\n -10 1 -3 16698.1 1551.05 6\r\n 10 1 3 15893.3 1775.68 5\r\n 10 -1 -3 14435.9 1483.75 5\r\n 10 -1 -4 8993.62 1388.48 5\r\n -10 -1 4 7299.75 1407.16 2\r\n -10 1 -4 6369.56 1606.11 3\r\n 10 -1 -4 7318.65 1405.34 7\r\n -10 1 -4 8161.08 1175.17 6\r\n 10 1 4 6641.75 1373.58 4\r\n -10 -1 4 5591.02 1186.12 4\r\n 10 -1 -4 6618.62 1145.64 1\r\n 10 -1 -5 3082.38 1058.99 5\r\n -10 -1 5 3361.64 1216.73 2\r\n -10 1 -5-394.942 1846.99 3\r\n 10 -1 -5 4253.65 1418.96 7\r\n 10 1 5 4389.96 1352.07 4\r\n 10 -1 -6 219.536 919.039 5\r\n -10 -1 6 199.521 932.908 2\r\n 10 1 6 1335.24 1006.49 4\r\n 10 -1 -6 925.513 1092.32 7\r\n -10 -1 7-2237.20 1182.97 2\r\n 10 -1 -7 1753.96 1037.19 5\r\n 10 -1 -7-2373.56 1498.56 7\r\n 10 1 7 1217.53 1253.53 4\r\n 10 2 -6 6538.13 1444.02 7\r\n 10 -2 6 8006.91 1773.43 4\r\n -10 2 6 7066.29 1320.26 2\r\n -10 2 6 6494.03 1375.66 6\r\n 10 2 -6 5521.80 1263.22 5\r\n 10 2 -5 5948.04 1077.17 5\r\n -10 -2 -5 1467.55 1516.56 3\r\n 10 -2 5 5281.24 1553.43 4\r\n -10 2 5 4971.86 714.364 4\r\n -10 2 5 3529.92 1173.76 2\r\n 10 -2 5 5448.40 1245.39 6\r\n 10 2 -5 5909.69 1807.08 7\r\n -10 -2 -4 7156.11 1874.24 3\r\n -10 2 4 5405.62 691.765 4\r\n 10 -2 4 6282.13 1449.47 4\r\n 10 2 -4 5039.68 1262.70 7\r\n -10 2 4 5168.41 1228.91 2\r\n 10 -2 4 4060.77 968.406 6\r\n 10 -2 4 3991.94 917.224 7\r\n -10 -2 -4 7985.11 1556.54 5\r\n 10 2 -4 6103.85 876.685 5\r\n 10 2 -4 6264.55 679.367 1\r\n -10 -2 -3 32463.0 3019.49 3\r\n -10 -2 -3 36334.7 2599.88 4\r\n 10 -2 3 29396.7 2533.73 4\r\n -10 2 3 30189.4 1518.97 4\r\n 10 2 -3 30518.9 1431.47 1\r\n 10 -2 3 31412.6 1972.33 7\r\n -10 2 3 30592.3 2357.08 2\r\n 10 2 -3 31733.9 2504.13 7\r\n -10 2 3 31735.7 2137.62 7\r\n -10 -2 -3 35338.0 1603.65 6\r\n 10 -2 3 32771.5 2420.19 6\r\n 10 2 -3 31261.4 1413.54 5\r\n -10 2 2 6644.78 771.614 4\r\n 10 -2 2 5656.26 904.862 2\r\n 10 -2 2 5847.44 733.504 7\r\n -10 2 2 5704.82 790.374 7\r\n -10 -2 -2 6239.76 691.345 2\r\n 10 2 -2 6169.98 1074.41 7\r\n -10 -2 -2 6925.76 1127.17 4\r\n -10 2 2 4665.60 1044.93 2\r\n 10 -2 2 5572.44 1059.24 6\r\n -10 2 2 6647.99 1172.18 6\r\n 10 2 -2 5638.83 458.317 5\r\n -10 2 1 12699.6 1140.48 4\r\n 10 -2 1 13034.6 1487.27 6\r\n 10 -2 1 12669.7 1370.64 4\r\n -10 -2 -1 14361.8 1446.27 4\r\n -10 2 1 13241.5 1361.06 2\r\n 10 -2 1 12673.7 1296.70 2\r\n -10 -2 -1 12815.3 1181.42 2\r\n -10 2 1 11183.0 1492.23 6\r\n 10 2 -1 13813.9 1540.73 2\r\n 10 2 -1 13020.1 718.682 5\r\n -10 2 0 77239.8 3007.26 4\r\n 10 -2 0 77734.2 2864.69 4\r\n -10 -2 0 80278.5 3235.25 4\r\n 10 -2 0 79661.4 1691.30 7\r\n -10 -2 0 80896.3 3169.77 2\r\n -10 2 0 79159.7 3496.27 6\r\n 10 2 0 80046.6 3230.88 2\r\n 10 2 0 78341.2 2324.12 5\r\n -10 -2 1 11458.6 1442.95 2\r\n -10 2 -1 12282.8 1384.77 4\r\n 10 -2 -1 12447.1 1096.18 4\r\n -10 -2 1 13465.5 1416.55 4\r\n 10 -2 -1 13238.7 1032.15 7\r\n 10 -2 -1 12239.7 1249.98 1\r\n 10 2 1 11299.4 1124.72 2\r\n -10 2 -1 12322.6 1463.23 6\r\n 10 2 1 12056.7 1167.85 5\r\n 10 2 2 6891.05 1107.65 5\r\n 10 -2 -2 5434.50 1046.59 2\r\n -10 2 -2 6127.67 1315.50 3\r\n -10 2 -2 5710.66 1159.88 4\r\n -10 -2 2 5125.39 1108.91 2\r\n 10 -2 -2 5372.41 897.759 1\r\n -10 -2 2 6707.36 1005.87 4\r\n 10 -2 -2 5612.87 703.405 4\r\n 10 -2 -2 4953.95 850.817 7\r\n 10 2 2 5575.49 1045.39 4\r\n -10 2 -2 6730.39 1137.90 6\r\n -10 2 -3 31238.1 3201.93 3\r\n 10 -2 -3 34497.3 2329.73 1\r\n -10 -2 3 28591.4 2370.12 4\r\n 10 2 3 31509.9 2340.86 4\r\n 10 -2 -3 31054.5 2409.79 7\r\n -10 -2 3 30252.2 2628.85 2\r\n -10 2 -3 32211.5 2361.81 6\r\n 10 -2 -3 33573.1 2525.64 2\r\n 10 2 3 34351.5 2634.41 5\r\n 10 -2 -3 32710.8 2362.91 5\r\n 10 -2 -4 5682.82 1291.43 5\r\n -10 -2 4 4902.89 1242.59 2\r\n -10 2 -4 5057.15 1841.72 3\r\n 10 -2 -4 6395.74 1533.44 7\r\n 10 2 4 7311.58 1355.45 4\r\n 10 -2 -5 4853.70 1386.68 5\r\n -10 -2 5 5311.97 1385.93 2\r\n 10 -2 -5 6764.62 1477.52 7\r\n 10 2 5 5840.54 1326.06 4\r\n 10 -2 -6 4737.99 1386.54 5\r\n -10 -2 6 4804.34 1363.18 2\r\n 10 -2 -6 6324.79 1838.68 7\r\n 10 2 6 9363.99 1674.77 4\r\n 10 3 -6 681.081 791.238 7\r\n 10 -3 6-1320.05 1141.53 4\r\n -10 3 6 387.537 666.373 6\r\n -10 -3 -6 1515.58 741.523 5\r\n 10 3 -5 7120.14 1722.62 7\r\n 10 -3 5 9810.29 2052.86 4\r\n -10 3 5 9886.76 1580.14 6\r\n -10 -3 -5 10405.5 1969.11 5\r\n -10 3 4 7761.11 451.762 4\r\n -10 -3 -4 8094.72 1959.49 3\r\n 10 -3 4 9409.96 1308.44 7\r\n 10 -3 4 9735.81 1893.58 4\r\n 10 3 -4 8913.56 1739.49 7\r\n -10 3 4 8320.73 1487.61 6\r\n -10 -3 -4 7835.25 1595.94 5\r\n -10 -3 -3 23842.6 2779.29 3\r\n -10 3 3 24581.9 1138.01 4\r\n 10 -3 3 28740.0 2631.89 4\r\n -10 -3 -3 25776.1 2216.38 4\r\n 10 3 -3 24125.3 1084.23 1\r\n 10 -3 3 25394.7 1709.81 7\r\n -10 -3 -3 27064.0 958.694 2\r\n -10 3 3 27642.8 2039.54 7\r\n 10 3 -3 27265.1 2451.33 7\r\n 10 -3 3 25265.7 2339.43 6\r\n -10 3 3 22978.5 2248.92 6\r\n -10 -3 -3 22614.9 2253.61 5\r\n -10 3 2 7967.02 807.443 4\r\n -10 -3 -2 9047.19 1277.82 4\r\n 10 -3 2 8832.07 732.426 7\r\n 10 3 -2 9107.18 1344.36 7\r\n 10 -3 2 9090.73 1444.56 4\r\n -10 -3 -2 8142.71 915.090 2\r\n -10 3 2 7753.56 1288.50 6\r\n 10 -3 2 8411.44 1380.74 6\r\n -10 3 2 7969.28 918.715 7\r\n -10 -3 -2 6940.98 1146.79 5\r\n -10 3 1 784.840 419.227 4\r\n -10 -3 -1 526.218 441.402 2\r\n 10 -3 1 1194.46 595.993 4\r\n -10 3 1 697.709 265.599 7\r\n -10 -3 -1 316.470 505.951 4\r\n -10 3 1 472.347 576.500 6\r\n 10 -3 1 453.110 714.626 6\r\n -10 3 0 63880.8 3395.69 6\r\n -10 3 0 61260.9 2868.22 4\r\n 10 -3 0 56398.2 2562.20 4\r\n -10 -3 0 59480.9 3042.91 4\r\n -10 -3 0 59732.2 2959.07 2\r\n 10 3 0 57941.2 1973.90 5\r\n -10 3 -1-33.3638 603.821 3\r\n 10 3 1 904.857 465.504 5\r\n -10 -3 1 213.825 789.277 2\r\n 10 -3 -1 933.080 378.170 7\r\n 10 -3 -1 1249.21 431.366 4\r\n -10 3 -1 500.901 611.798 6\r\n -10 -3 1 770.498 614.986 4\r\n 10 3 1 157.235 667.886 4\r\n 10 -3 -1 821.134 576.827 1\r\n 10 3 2 8293.92 1206.18 5\r\n -10 3 -2 8364.05 1554.50 3\r\n 10 -3 -2 7898.48 1002.40 7\r\n 10 -3 -2 8840.33 823.605 4\r\n -10 -3 2 9745.58 1388.83 4\r\n -10 -3 2 6213.95 1328.08 2\r\n 10 -3 -2 9417.05 1347.93 2\r\n -10 3 -2 6942.71 1247.78 6\r\n 10 3 2 6963.10 1185.97 4\r\n 10 -3 -2 8612.19 1247.19 1\r\n -10 3 -3 23643.7 2903.97 3\r\n 10 3 3 22127.1 2093.75 4\r\n 10 -3 -3 23481.1 2059.54 7\r\n -10 3 -3 24440.4 2345.86 6\r\n -10 -3 3 22248.4 2427.01 2\r\n 10 -3 -3 21230.3 2049.93 5\r\n 10 -3 -4 9638.20 1710.05 5\r\n -10 -3 4 10235.7 1788.06 2\r\n 10 -3 -4 10465.6 1716.30 7\r\n 10 3 4 9857.29 1499.44 4\r\n 10 -3 -5 8806.44 1747.04 5\r\n -10 -3 5 10145.9 1839.27 2\r\n 10 3 5 13382.8 1827.48 4\r\n 10 -3 -5 9910.94 1861.47 7\r\n -10 -3 6 1069.33 779.936 2\r\n 10 3 6-66.6179 922.141 4\r\n 10 -3 -6-327.467 1171.54 7\r\n 10 4 -6 1821.37 1103.90 7\r\n 10 -4 6 2457.49 1658.90 4\r\n -10 -4 -6 3054.14 1093.22 5\r\n -10 -4 -5 794.872 886.623 5\r\n 10 -4 5-367.242 1403.60 4\r\n 10 4 -5 1702.77 1219.86 7\r\n -10 4 5 3606.31 897.405 6\r\n -10 -4 -4 421.820 767.898 5\r\n -10 -4 -4 140.301 1305.23 3\r\n 10 -4 4 394.010 759.599 4\r\n 10 4 -4-455.076 1028.55 7\r\n 10 -4 4 1705.77 742.807 7\r\n -10 4 4-36.7938 745.325 6\r\n -10 -4 -3 1050.87 855.686 5\r\n 10 -4 3 1463.05 493.817 7\r\n -10 -4 -3 1214.62 409.782 2\r\n -10 -4 -3 871.123 1112.94 3\r\n 10 4 -3 907.445 230.594 1\r\n 10 -4 3 7.34305 1023.27 4\r\n -10 4 3 2039.24 676.320 7\r\n 10 4 -3 2179.70 1048.44 7\r\n -10 -4 -3 1577.44 773.776 4\r\n -10 4 3 1813.33 961.729 6\r\n -10 -4 -2 9074.13 1371.85 5\r\n -10 -4 -2 11121.1 1428.27 4\r\n -10 4 2 7841.27 945.731 7\r\n 10 -4 2 9050.33 1499.40 4\r\n -10 -4 -2 10393.5 1163.25 2\r\n 10 4 -2 13191.7 1695.62 7\r\n -10 4 2 8965.90 1514.88 6\r\n -10 -4 -2 9377.69 1601.93 3\r\n -10 -4 -1 6921.13 1170.35 4\r\n -10 4 1 8116.51 614.111 7\r\n -10 -4 -1 7200.80 1100.50 2\r\n 10 -4 1 8230.00 1272.86 4\r\n -10 4 1 7594.65 1424.66 6\r\n -10 -4 -1 7075.99 1022.00 5\r\n 10 4 0 2333.17 453.833 5\r\n 10 -4 0 2816.70 780.016 1\r\n -10 -4 0 2624.57 799.372 2\r\n -10 4 0 2119.22 859.381 6\r\n -10 -4 0 2461.97 734.406 4\r\n 10 -4 0 1411.76 621.008 4\r\n 10 4 0 2211.64 961.963 4\r\n -10 4 -1 8219.80 1391.11 3\r\n 10 -4 -1 7311.60 890.614 4\r\n -10 -4 1 8830.43 1446.18 2\r\n -10 4 -1 6751.79 1400.37 6\r\n 10 4 1 8006.94 1391.42 4\r\n 10 4 1 7625.75 1014.52 5\r\n 10 4 2 9580.03 1370.08 5\r\n -10 4 -2 9928.21 1708.52 3\r\n 10 -4 -2 9975.78 797.465 4\r\n -10 -4 2 9995.56 1679.52 2\r\n -10 4 -2 8040.30 1481.60 6\r\n 10 4 2 9901.22 1481.02 4\r\n -10 -4 3 7.64729 638.080 2\r\n 10 -4 -3 1288.96 982.993 5\r\n -10 4 -3 971.218 1272.27 3\r\n -10 4 -3 707.410 755.100 6\r\n 10 4 3 428.130 808.329 4\r\n 10 -4 -4 597.071 846.423 5\r\n -10 -4 4 777.482 912.795 2\r\n 10 4 4 678.970 728.137 4\r\n 10 -4 -5 1696.34 972.163 5\r\n -10 -4 5-418.730 841.517 2\r\n 10 4 5 33.8567 652.046 4\r\n 10 -4 -6 2142.47 1173.04 5\r\n -10 -4 6 3275.04 1528.55 2\r\n 10 4 6 2666.75 907.257 4\r\n -10 -5 -5 510.063 836.110 5\r\n 10 -5 5-435.152 1275.34 4\r\n 10 5 -5 900.222 1116.88 7\r\n -10 5 5 1771.88 770.916 6\r\n -10 -5 -4 9738.04 1824.00 5\r\n -10 -5 -4 8714.58 1988.80 3\r\n 10 -5 4 9300.46 1868.72 4\r\n -10 5 4 8990.28 1630.21 6\r\n 10 5 -4 6406.89 1758.31 7\r\n -10 -5 -3 4365.24 1184.37 5\r\n -10 -5 -3 3737.22 1232.96 3\r\n -10 -5 -3 3756.03 726.916 2\r\n 10 -5 3 3653.99 1217.58 4\r\n 10 5 -3 4429.41 1284.69 7\r\n -10 -5 -3 3458.85 780.159 6\r\n -10 5 3 899.916 910.677 6\r\n -10 5 3 3689.23 964.131 7\r\n -10 -5 -2 13270.9 1800.82 3\r\n -10 -5 -2 10021.1 1498.54 5\r\n 10 -5 2 14012.0 1923.51 4\r\n -10 5 2 12825.7 1196.07 7\r\n -10 5 2 14420.4 2024.22 6\r\n -10 -5 -2 13119.1 1428.58 2\r\n 10 5 -2 13472.0 1861.44 7\r\n -10 -5 -1-34.0863 476.189 5\r\n 10 -5 1 333.029 716.377 4\r\n -10 5 1 475.622 223.039 7\r\n -10 -5 -1 230.952 540.624 2\r\n -10 5 1 262.578 458.448 6\r\n -10 5 0 1658.45 665.031 3\r\n 10 -5 0 1331.23 654.111 4\r\n -10 -5 0 2902.15 876.600 2\r\n -10 5 0 1281.73 688.245 6\r\n 10 5 0 621.860 1004.91 4\r\n -10 -5 0 1146.31 396.004 5\r\n 10 5 1 167.801 348.570 5\r\n -10 5 -1 226.023 666.662 3\r\n -10 5 -1-258.928 952.178 6\r\n 10 -5 -1 605.301 491.411 4\r\n -10 -5 1-1768.12 973.322 2\r\n 10 5 1 528.310 820.021 4\r\n -10 5 -2 13716.3 2101.68 6\r\n -10 5 -2 14041.5 2149.00 3\r\n 10 -5 -2 12934.8 890.834 4\r\n 10 5 2 13611.6 1874.87 4\r\n -10 -5 2 12125.3 1983.24 2\r\n 10 5 2 13332.3 1599.40 5\r\n 10 -5 -2 15528.6 1965.07 5\r\n 10 -5 -3 4887.61 1226.53 5\r\n -10 -5 3 3940.56 1281.14 2\r\n -10 5 -3 3137.96 1200.16 6\r\n 10 5 3 3650.21 1123.02 4\r\n 10 -5 -4 7288.02 1781.52 5\r\n -10 -5 4 9643.34 1803.61 2\r\n 10 5 4 7933.62 1476.61 4\r\n 10 -5 -5 1756.70 931.235 5\r\n -10 -5 5 183.079 1206.66 2\r\n 10 5 5 251.784 868.982 4\r\n -10 -6 -5-674.429 950.799 5\r\n 10 -6 5 445.189 1241.92 4\r\n 10 6 -5 115.680 853.517 7\r\n -10 6 5 3253.37 1045.22 6\r\n -10 -6 -4 1643.17 1124.97 5\r\n -10 -6 -4 1178.45 1096.67 3\r\n 10 -6 4 515.436 880.329 4\r\n 10 6 -4-127.733 920.361 7\r\n -10 6 4 388.994 641.368 6\r\n -10 -6 -3 9059.07 1601.68 5\r\n -10 -6 -3 11552.6 1836.31 3\r\n 10 -6 3 9434.91 2012.64 4\r\n 10 6 -3 9798.43 1790.65 7\r\n -10 -6 -3 9679.26 1281.17 2\r\n -10 6 3 11295.9 1884.12 6\r\n -10 -6 -2 958.329 646.375 5\r\n -10 -6 -2 637.560 871.347 3\r\n 10 -6 2 81.7457 730.643 4\r\n -10 -6 -2 209.676 525.285 2\r\n -10 6 2 1628.48 911.442 6\r\n 10 6 -2 560.260 423.115 1\r\n 10 6 -2 237.052 746.623 7\r\n -10 -6 -1 1719.73 641.846 5\r\n -10 6 1 1133.88 484.142 3\r\n 10 -6 1 2119.57 776.093 4\r\n -10 6 1 1256.98 286.568 7\r\n -10 -6 -1 978.344 867.707 2\r\n -10 6 1 1986.26 748.070 6\r\n -10 -6 0 145.644 368.537 5\r\n -10 6 0 1337.43 550.620 3\r\n 10 -6 0 816.236 573.919 4\r\n -10 -6 0 83.6472 842.682 2\r\n -10 6 0 784.808 736.590 6\r\n -10 6 -1 1206.08 836.655 3\r\n 10 -6 -1 1110.30 469.916 4\r\n -10 -6 1 1854.24 967.233 2\r\n -10 6 -1 1418.01 903.818 6\r\n 10 -6 -2 1408.95 930.794 5\r\n -10 6 -2 695.515 1011.73 3\r\n -10 -6 2 1391.73 995.251 2\r\n 10 -6 -2 447.370 284.893 4\r\n -10 6 -2-494.137 931.957 6\r\n 10 6 2 259.170 892.653 4\r\n 10 -6 -3 9328.98 1791.22 5\r\n -10 -6 3 11916.5 2235.28 2\r\n 10 6 3 9935.01 1793.03 4\r\n 10 -6 -4 718.521 961.249 5\r\n -10 -6 4 1092.77 899.477 2\r\n 10 6 4 1193.04 868.517 4\r\n 10 -6 -5 613.491 706.790 5\r\n -10 -6 5 454.016 1109.73 2\r\n 10 6 5 1117.07 804.439 1\r\n -10 -7 -4-599.866 1322.18 5\r\n 10 7 -4 1449.25 940.915 7\r\n -10 7 4 260.004 639.339 6\r\n 10 -7 4 2214.72 1170.09 4\r\n -10 -7 -3 2290.25 933.505 5\r\n 10 -7 3 1679.43 1073.11 4\r\n -10 7 3 1402.11 961.225 6\r\n 10 7 -3 732.098 831.845 7\r\n -10 -7 -2 314.989 627.949 5\r\n 10 -7 2 3281.05 1245.80 4\r\n 10 7 -2 2517.83 1169.65 7\r\n -10 -7 -2 1787.47 953.056 2\r\n -10 7 2 1967.95 959.410 6\r\n -10 -7 -1 89.7413 681.588 5\r\n 10 -7 1 87.2934 768.662 4\r\n -10 7 1 239.182 734.953 6\r\n -10 -7 -1 645.981 856.062 2\r\n 10 7 -1-538.875 502.428 1\r\n -10 -7 0 837.341 498.762 5\r\n -10 7 0 519.534 572.886 3\r\n 10 7 0 1150.19 750.410 1\r\n -10 7 0 340.020 929.197 6\r\n 10 -7 0 1112.52 776.786 4\r\n -10 -7 0 1537.87 1113.40 2\r\n 10 -7 -1 450.885 474.731 4\r\n -10 7 -1 1492.63 926.449 6\r\n -10 -7 1 104.645 1069.80 2\r\n 10 7 1 91.4460 792.311 1\r\n 10 -7 -2 2059.39 1013.16 5\r\n -10 -7 2 2333.43 1344.41 2\r\n 10 7 2 1714.44 812.976 1\r\n 10 -7 -3 3235.71 1160.74 5\r\n -10 -7 3 1942.77 1317.28 2\r\n 10 7 3 1261.97 1022.54 1\r\n 10 7 3 863.554 1162.92 4\r\n 10 -7 -4 3053.95 1348.57 5\r\n 10 7 4 1201.01 858.581 1\r\n -10 -7 4 2619.26 1441.05 2\r\n -10 -8 -3 1753.80 708.325 5\r\n 10 8 -3 1626.23 1101.15 7\r\n -10 8 3 594.441 612.698 6\r\n -10 -8 -2 933.190 769.389 5\r\n 10 8 -2 757.829 876.474 7\r\n -10 8 2 1881.43 1012.56 6\r\n -10 -8 -2-680.677 959.870 2\r\n -10 -8 -1-991.571 699.330 5\r\n 10 8 -1 430.650 375.878 1\r\n -10 8 1-710.586 923.535 6\r\n 10 -8 1-237.224 1012.60 4\r\n -10 -8 -1 358.587 1055.43 2\r\n 10 -8 0-2562.25 1004.12 4\r\n -10 8 0 200.633 801.152 6\r\n -10 -8 0-1551.66 1129.96 2\r\n 10 8 0 242.148 791.682 1\r\n 10 -8 -1 419.731 743.346 5\r\n -10 -8 1-1015.98 1213.65 2\r\n 10 8 1-1763.14 1165.75 1\r\n 10 -8 -2 1113.68 786.074 5\r\n -10 -8 2-5.95776 1160.04 2\r\n 10 8 2 394.873 704.065 1\r\n 10 -8 -3-2208.49 1193.02 5\r\n -10 -8 3-395.730 738.181 2\r\n 10 8 3-1352.35 947.817 1\r\n 10 9 0 1846.16 1066.71 1\r\n -10 -9 0 2805.17 1435.86 2\r\n 11 0 0-12.9987 433.136 2\r\n 11 0 0-1242.70 745.256 4\r\n -11 0 0-58.1342 329.188 4\r\n -11 0 0 38.0767 516.699 2\r\n -11 0 -1 29111.6 2080.48 4\r\n -11 0 1 27008.8 1798.42 4\r\n 11 0 -1 25142.9 1796.34 4\r\n -11 0 -1 26115.8 1634.49 2\r\n 11 0 -1 24615.9 1606.49 7\r\n -11 0 1 23658.7 1906.53 2\r\n 11 0 1 24730.9 1681.12 2\r\n -11 0 -1 22590.9 1825.32 6\r\n -11 0 -2 21097.9 1955.25 4\r\n -11 0 2 18399.9 1560.73 4\r\n 11 0 -2 18894.0 1654.46 7\r\n 11 0 -2 22251.2 1773.22 4\r\n -11 0 2 21351.2 1940.19 2\r\n 11 0 2 20084.8 1417.94 2\r\n -11 0 -2 21444.2 1729.77 6\r\n 11 0 2 21401.2 1789.38 5\r\n -11 0 -3 11738.9 2117.50 3\r\n -11 0 -3 15205.3 1858.56 4\r\n 11 0 -3 12703.0 1262.76 1\r\n 11 0 3 12531.8 1639.04 4\r\n -11 0 3 13208.0 1358.62 4\r\n 11 0 -3 13402.4 1662.94 7\r\n -11 0 3 13174.0 1486.85 7\r\n 11 0 3 13521.6 1071.21 2\r\n -11 0 3 15074.5 1750.93 2\r\n 11 0 -3 12916.5 1646.79 2\r\n -11 0 -3 13416.1 1315.34 6\r\n 11 0 -3 13364.7 1324.01 5\r\n 11 0 -4 16574.3 1548.86 1\r\n -11 0 -4 18517.5 2785.89 3\r\n 11 0 4 16553.1 2016.07 4\r\n -11 0 4 15743.1 1654.12 4\r\n 11 0 -4 17613.0 2149.35 7\r\n -11 0 4 18350.5 2109.95 2\r\n 11 0 4 17807.9 1081.00 2\r\n -11 0 -4 18058.9 1516.40 6\r\n 11 0 -4 16664.0 1712.83 5\r\n -11 0 5 11576.2 1895.57 2\r\n 11 0 -5 12419.5 1831.39 5\r\n 11 0 -5 14986.1 2281.74 7\r\n 11 0 5 14712.9 2174.82 4\r\n -11 0 -5 8360.56 2134.86 3\r\n -11 0 5 12318.1 1515.06 4\r\n 11 0 -6 3617.99 1189.94 5\r\n 11 0 -6 2689.04 1406.44 7\r\n 11 0 6 4645.68 1550.37 4\r\n -11 0 6 4295.78 1317.87 2\r\n 11 1 -6 4717.72 1076.80 5\r\n 11 -1 6 2689.24 1323.08 4\r\n 11 1 -6 4819.76 1566.98 7\r\n -11 1 6 1566.95 963.909 2\r\n 11 1 -5 6234.08 1128.93 5\r\n -11 -1 -5 3248.86 1999.61 3\r\n 11 1 -5 5945.74 1638.29 7\r\n 11 -1 5 5192.75 1564.50 4\r\n -11 1 5 5915.94 1032.06 4\r\n -11 1 5 5968.67 1401.41 2\r\n 11 1 -4 2539.20 571.739 1\r\n 11 1 -4 1824.61 670.013 5\r\n -11 -1 -4 3064.10 1408.25 3\r\n 11 -1 4 2511.71 798.419 7\r\n 11 1 -4 2312.52 936.003 7\r\n 11 -1 4 1821.39 929.811 4\r\n -11 -1 -4 1708.69 466.737 6\r\n -11 1 4 2029.79 527.989 4\r\n 11 -1 4 1737.83 519.528 2\r\n -11 1 4 2683.89 932.569 2\r\n -11 -1 -3 7764.33 1665.08 3\r\n 11 1 -3 9655.95 1000.93 1\r\n -11 1 3 8732.55 1042.91 4\r\n 11 -1 3 7866.88 1081.92 7\r\n 11 -1 3 9530.90 1043.10 2\r\n -11 1 3 9060.31 1298.79 7\r\n -11 -1 -3 9728.99 1388.44 4\r\n 11 1 -3 8590.16 1360.63 7\r\n 11 -1 3 8218.75 1413.87 4\r\n -11 -1 -3 8732.60 1007.34 6\r\n -11 1 3 8014.31 1413.13 2\r\n 11 1 -3 8506.91 952.293 5\r\n -11 1 2 43313.6 2187.34 7\r\n -11 -1 -2 47262.8 2837.57 4\r\n -11 1 2 42264.5 2131.80 4\r\n -11 -1 -2 44193.2 1790.00 2\r\n 11 1 -2 44085.7 2710.03 4\r\n -11 1 2 44845.0 2678.51 2\r\n 11 1 -2 46721.8 2547.28 7\r\n -11 -1 -2 41624.5 2224.54 6\r\n 11 -1 2 38924.7 2073.35 2\r\n 11 1 -2 42299.2 1655.49 5\r\n -11 -1 -1 47313.9 2617.24 4\r\n -11 1 1 41896.3 2140.17 4\r\n 11 1 -1 45059.4 2557.31 4\r\n -11 1 1 44231.6 2523.54 2\r\n 11 1 -1 47405.6 2402.66 7\r\n 11 -1 1 44803.8 2307.84 2\r\n -11 -1 -1 46871.4 2146.34 2\r\n 11 -1 0 1240.39 533.593 2\r\n -11 -1 0 545.404 480.894 2\r\n 11 1 0 1002.08 547.368 2\r\n -11 1 0 937.216 465.094 4\r\n -11 -1 0 575.442 424.508 4\r\n 11 -1 0 839.581 510.146 4\r\n -11 1 0 1047.60 619.243 2\r\n -11 1 0 1295.60 771.978 6\r\n -11 1 -1 43696.2 2559.32 4\r\n -11 -1 1 45598.5 2488.19 4\r\n 11 -1 -1 45453.2 2218.48 4\r\n 11 -1 -1 44394.6 1961.21 7\r\n -11 -1 1 41185.5 2530.12 2\r\n 11 1 1 43564.0 2240.12 2\r\n -11 1 -1 48662.1 2676.39 6\r\n 11 1 1 43743.2 2216.46 5\r\n -11 1 -2 41636.5 2787.47 4\r\n 11 1 2 40361.1 2524.02 4\r\n -11 -1 2 43722.9 2483.94 4\r\n 11 -1 -2 43243.2 2208.05 4\r\n 11 -1 -2 38799.2 2261.52 7\r\n -11 -1 2 44770.9 2814.13 2\r\n -11 1 -2 40143.6 2454.28 6\r\n 11 -1 -2 41686.4 2246.24 1\r\n 11 1 2 44324.1 1963.80 2\r\n 11 1 2 39852.5 2508.59 5\r\n -11 -1 3 9191.24 1509.62 2\r\n 11 -1 -3 7272.44 1147.80 5\r\n -11 1 -3 5784.05 1572.58 3\r\n 11 -1 -3 9899.48 1245.25 1\r\n 11 -1 -3 8382.46 1365.14 2\r\n -11 -1 3 9369.07 1314.35 4\r\n 11 -1 -3 9801.77 1373.42 7\r\n 11 1 3 9796.29 791.397 2\r\n -11 1 -3 9022.00 1213.00 6\r\n 11 1 3 8718.58 1428.62 4\r\n 11 -1 -4 1879.90 658.159 1\r\n -11 -1 4 1742.91 1040.96 2\r\n 11 -1 -4 2552.86 812.343 5\r\n -11 1 -4 3137.16 1341.37 3\r\n 11 -1 -4 2106.48 1056.02 7\r\n 11 1 4 2469.70 1096.89 4\r\n -11 1 -4 1461.42 717.524 6\r\n -11 -1 4 3228.63 850.741 4\r\n 11 -1 -5 7891.43 1541.34 5\r\n -11 -1 5 6106.63 1475.23 2\r\n 11 -1 -5 8552.52 1866.12 7\r\n 11 1 5 5091.02 1484.03 4\r\n -11 -1 6 3665.96 1183.65 2\r\n 11 -1 -6 1779.95 1077.03 5\r\n 11 -1 -6 3549.10 1380.52 7\r\n 11 1 6 3418.02 1342.95 4\r\n 11 -2 6 1534.86 1247.96 4\r\n -11 2 6 2910.02 968.248 2\r\n -11 2 6 1554.19 960.277 6\r\n 11 2 -6 3643.58 1368.52 7\r\n 11 2 -5 5733.82 984.967 5\r\n 11 -2 5 5884.21 1564.78 4\r\n -11 -2 -5 4709.42 1990.01 3\r\n 11 2 -5 7079.97 1694.07 7\r\n -11 2 5 6250.32 1371.04 2\r\n -11 -2 -4 21511.2 2975.88 3\r\n 11 -2 4 21314.6 2525.87 4\r\n -11 2 4 23293.5 1477.37 4\r\n 11 -2 4 22202.4 2002.32 7\r\n -11 2 4 22257.3 2289.65 2\r\n -11 -2 -4 24366.6 1033.96 6\r\n 11 -2 4 24763.5 2251.49 6\r\n 11 2 -4 22868.9 1559.87 5\r\n 11 2 -4 25151.9 2600.55 7\r\n 11 2 -4 20918.8 1284.04 1\r\n -11 -2 -3 19015.7 2384.61 3\r\n -11 -2 -3 19381.2 2016.64 4\r\n 11 -2 3 18743.1 2066.03 4\r\n -11 2 3 18207.6 1329.39 4\r\n 11 -2 3 18720.1 1587.62 2\r\n 11 2 -3 18616.1 1236.93 1\r\n -11 2 3 18336.3 1941.18 2\r\n 11 2 -3 17317.9 2005.85 7\r\n -11 2 3 19172.2 1691.76 7\r\n -11 -2 -3 20148.7 1367.71 6\r\n 11 -2 3 20053.8 1991.10 6\r\n 11 2 -3 17218.2 1077.66 5\r\n 11 -2 3 17933.1 1551.51 7\r\n 11 -2 2 6585.73 1010.45 2\r\n -11 -2 -2 8996.93 1278.95 4\r\n -11 2 2 5901.85 797.320 4\r\n -11 2 2 7521.62 899.122 7\r\n -11 -2 -2 6752.10 774.551 2\r\n 11 -2 2 6988.69 1249.26 4\r\n 11 2 -2 6637.99 1131.44 7\r\n -11 2 2 5717.22 1070.32 2\r\n 11 2 -2 5137.88 1144.55 2\r\n 11 -2 2 5689.21 1159.66 6\r\n -11 2 2 5196.86 1117.76 6\r\n 11 -2 2 7137.24 811.370 7\r\n 11 2 -2 6369.27 512.463 5\r\n 11 2 -2 5975.97 1289.73 4\r\n -11 2 1 18701.9 1465.76 4\r\n 11 -2 1 21287.3 1822.96 4\r\n -11 -2 -1 23570.3 1910.91 4\r\n -11 -2 -1 19105.1 1484.24 2\r\n -11 2 1 16551.3 1649.56 2\r\n -11 2 1 18279.7 1872.35 6\r\n 11 2 -1 20395.0 1955.64 2\r\n 11 -2 1 22145.5 1728.13 2\r\n -11 -2 0 7371.01 1091.60 2\r\n -11 2 0 6190.88 996.029 4\r\n 11 -2 0 6339.09 972.117 4\r\n 11 2 0 6838.48 1086.89 2\r\n -11 -2 0 6182.21 1014.09 4\r\n -11 2 0 5306.18 1115.94 6\r\n 11 -2 0 7222.44 594.493 7\r\n 11 2 0 6717.02 781.751 5\r\n -11 2 -1 18545.8 1785.29 4\r\n 11 -2 -1 19964.7 1434.40 4\r\n -11 -2 1 18014.4 1678.58 4\r\n 11 -2 -1 19966.5 1288.24 7\r\n -11 2 -1 18208.3 1842.34 6\r\n 11 2 1 19765.3 1569.01 2\r\n 11 2 1 18083.1 1531.07 5\r\n -11 -2 1 18104.2 1830.92 2\r\n 11 2 2 8040.14 1241.96 5\r\n 11 -2 -2 7130.82 1228.12 2\r\n -11 2 -2 7724.59 1543.60 3\r\n 11 -2 -2 6253.06 992.794 1\r\n -11 -2 2 8723.60 1225.18 4\r\n 11 -2 -2 5731.25 821.997 4\r\n -11 2 -2 8561.74 1416.56 4\r\n 11 -2 -2 6932.29 989.942 7\r\n -11 -2 2 9524.83 1414.40 2\r\n 11 2 2 5692.78 1058.80 4\r\n -11 2 -2 7686.39 1245.88 6\r\n -11 2 -3 18863.2 2562.38 3\r\n 11 -2 -3 16241.8 1694.77 1\r\n 11 2 3 17667.2 1856.46 4\r\n -11 -2 3 18366.8 2144.97 2\r\n 11 -2 -3 17438.0 1865.30 7\r\n -11 2 -3 19889.7 1963.82 6\r\n 11 -2 -3 17016.1 1772.53 5\r\n -11 2 -4 20679.8 3036.99 3\r\n 11 2 4 21832.3 2266.82 4\r\n 11 -2 -4 22652.1 2457.41 7\r\n -11 -2 4 22519.9 2471.36 2\r\n -11 2 -4 23372.1 2188.15 6\r\n 11 -2 -4 19704.7 2155.41 5\r\n 11 -2 -5 6725.02 1516.96 5\r\n -11 -2 5 5244.72 1524.63 2\r\n 11 -2 -5 6850.99 1627.13 7\r\n 11 2 5 6250.97 1486.99 4\r\n 11 -2 -6 2642.76 1268.76 5\r\n -11 -2 6 1222.59 874.416 2\r\n 11 -2 -6 2391.57 1374.71 7\r\n 11 2 6 1685.72 1096.19 4\r\n 11 3 -6 45.8515 718.670 7\r\n 11 -3 6 1422.39 1262.90 4\r\n -11 3 6 643.270 757.611 6\r\n -11 -3 -5 407.027 1189.76 3\r\n 11 3 -5 1617.66 1155.81 7\r\n 11 -3 5 2498.97 1160.08 4\r\n -11 3 5 1820.89 938.854 6\r\n -11 -3 -5 1861.96 1215.43 5\r\n 11 3 -4 1394.35 1103.59 7\r\n 11 -3 4 1374.80 806.407 7\r\n -11 -3 -4 1948.07 1344.93 3\r\n 11 -3 4 1907.64 1330.62 4\r\n -11 3 4 1203.51 289.539 4\r\n -11 3 4 2348.57 913.140 6\r\n 11 3 -4 1601.84 279.898 1\r\n -11 -3 -4 1493.15 915.280 5\r\n -11 -3 -3 16849.7 2343.71 3\r\n -11 3 3 22557.6 1243.78 4\r\n 11 -3 3 22536.5 2447.37 4\r\n -11 -3 -3 23891.8 2243.08 4\r\n 11 -3 3 23067.4 1601.06 7\r\n -11 -3 -3 24384.7 1037.72 2\r\n -11 3 3 22523.7 1829.49 7\r\n 11 3 -3 22586.3 2263.26 7\r\n -11 3 3 21601.4 2294.21 6\r\n 11 3 -3 22269.2 1169.36 1\r\n -11 -3 -3 21008.5 2172.43 5\r\n -11 3 2 26709.8 1559.01 4\r\n 11 -3 2 24928.0 2274.50 4\r\n -11 -3 -2 26655.2 2218.78 4\r\n 11 -3 2 25472.8 1219.32 7\r\n -11 3 2 25459.4 1568.18 7\r\n 11 3 -2 24196.7 2136.44 7\r\n -11 -3 -2 24239.3 1550.07 2\r\n -11 3 2 26987.9 2469.03 6\r\n 11 -3 2 27243.3 2395.16 6\r\n -11 3 1 30424.2 1943.36 4\r\n 11 -3 1 30666.0 2283.48 4\r\n -11 -3 -1 29857.8 2242.51 4\r\n -11 -3 -1 31431.7 2028.56 2\r\n -11 3 1 30742.1 2490.38 6\r\n 11 -3 1 34358.5 2633.50 6\r\n 11 -3 1 33278.5 2254.20 2\r\n -11 3 0 198596. 5321.46 4\r\n 11 -3 0 201709. 4918.70 4\r\n -11 -3 0 196172. 5561.77 4\r\n 11 -3 0 210787. 5646.57 2\r\n 11 3 0 209130. 5987.99 4\r\n -11 -3 0 204375. 5512.14 2\r\n -11 3 0 208834. 6207.35 6\r\n 11 3 0 205386. 3814.47 5\r\n -11 3 -1 31028.9 2579.72 3\r\n -11 -3 1 32229.3 2483.67 2\r\n 11 -3 -1 34029.0 1820.69 4\r\n -11 -3 1 30455.9 2306.83 4\r\n 11 -3 -1 32456.8 1494.17 7\r\n 11 -3 -1 32379.6 2205.77 1\r\n 11 3 1 31418.9 2373.44 4\r\n 11 -3 -1 28675.3 2291.75 2\r\n -11 3 -1 33583.3 2626.81 6\r\n 11 3 1 32397.5 1997.51 5\r\n -11 3 -2 25862.4 2674.42 3\r\n 11 3 2 23182.2 2064.26 4\r\n 11 -3 -2 25806.3 1432.94 4\r\n 11 -3 -2 24451.6 1758.62 7\r\n -11 -3 2 26418.9 2428.22 2\r\n -11 3 -2 27213.0 2389.31 6\r\n 11 3 2 26786.4 2178.75 5\r\n -11 3 -3 20504.7 2775.12 3\r\n 11 3 3 27083.8 2330.56 4\r\n 11 -3 -3 21430.9 1979.12 7\r\n -11 -3 3 20757.5 2328.76 2\r\n -11 3 -3 22457.7 2279.69 6\r\n 11 -3 -3 22915.7 2227.30 5\r\n 11 -3 -4 493.232 873.663 5\r\n -11 3 -4 1994.09 1524.97 3\r\n -11 -3 4 1233.35 1026.19 2\r\n 11 -3 -4 1380.76 784.521 7\r\n 11 3 4 2377.57 946.928 4\r\n 11 -3 -5 3115.79 1070.94 5\r\n -11 -3 5 2906.74 1053.34 2\r\n 11 -3 -5 2767.53 1229.57 7\r\n 11 3 5 1976.02 963.643 4\r\n 11 -3 -6 2589.39 943.378 5\r\n -11 -3 6-261.157 691.064 2\r\n 11 -3 -6 773.641 1129.92 7\r\n 11 3 6-371.563 1040.57 4\r\n 11 4 -6 1073.12 1156.63 7\r\n 11 -4 6 1659.66 1348.00 4\r\n -11 -4 -6 2844.94 1308.78 5\r\n -11 -4 -5 973.415 1545.64 3\r\n 11 -4 5 7289.08 1895.64 4\r\n 11 4 -5 8182.07 1887.70 7\r\n -11 4 5 4148.98 1224.46 6\r\n -11 -4 -5 4560.81 1502.52 5\r\n -11 -4 -4 5549.16 1582.90 3\r\n 11 -4 4 5856.88 1667.02 4\r\n 11 4 -4 4666.74 1532.24 7\r\n 11 -4 4 6500.90 1064.34 7\r\n -11 4 4 7527.21 1502.30 6\r\n -11 -4 -4 5769.22 1439.86 5\r\n -11 -4 -3 12450.5 2093.62 3\r\n -11 4 3 13338.4 1528.10 7\r\n 11 -4 3 13471.3 1050.32 7\r\n 11 -4 3 9076.43 1798.30 4\r\n -11 -4 -3 10497.7 871.115 2\r\n 11 4 -3 9739.84 1675.25 7\r\n -11 4 3 11310.1 1809.84 6\r\n -11 -4 -3 11696.1 1800.00 5\r\n 11 -4 2 11845.4 1716.44 4\r\n -11 -4 -2 12308.9 1299.27 2\r\n -11 -4 -2 14453.0 1643.02 4\r\n 11 4 -2 14539.4 1795.58 7\r\n -11 4 2 12897.6 1149.52 7\r\n -11 4 2 11722.8 1728.25 6\r\n -11 -4 -2 11596.2 1466.94 5\r\n 11 -4 1 19532.9 1954.60 4\r\n -11 -4 -1 20012.8 1992.01 4\r\n -11 -4 -1 18211.2 1728.31 2\r\n -11 4 1 21034.1 2234.34 6\r\n -11 -4 -1 16796.3 1498.63 5\r\n 11 4 0 18494.0 2104.73 4\r\n 11 -4 0 21779.1 1791.25 4\r\n -11 -4 0 16082.8 1798.87 2\r\n -11 4 0 20389.8 2231.81 6\r\n 11 4 0 17109.7 1105.27 5\r\n -11 4 -1 17730.6 2157.09 3\r\n 11 -4 -1 18072.2 1409.35 4\r\n 11 4 1 18487.7 2011.82 4\r\n -11 -4 1 20689.3 2193.97 2\r\n -11 4 -1 18295.2 2116.67 6\r\n 11 4 1 18413.3 1516.29 5\r\n -11 4 -2 11979.0 1967.39 3\r\n 11 -4 -2 13752.5 1009.84 4\r\n 11 4 2 13899.9 1765.25 4\r\n -11 -4 2 11157.8 1836.43 2\r\n 11 4 2 14474.0 1603.12 5\r\n 11 -4 -3 11334.5 1766.14 5\r\n -11 4 -3 10435.3 2076.32 3\r\n -11 -4 3 11315.1 2021.90 2\r\n -11 4 -3 9923.97 1728.85 6\r\n 11 4 3 10669.7 1675.14 4\r\n 11 -4 -4 7164.09 1513.76 5\r\n -11 -4 4 5318.28 1616.43 2\r\n 11 4 4 5858.79 1290.43 4\r\n 11 -4 -5 5261.52 1462.57 5\r\n -11 -4 5 5574.84 1367.93 2\r\n 11 4 5 5046.36 1402.40 4\r\n 11 -4 -6 704.074 1346.91 5\r\n -11 -4 6 4037.70 1335.03 2\r\n 11 4 6 1424.12 578.579 4\r\n -11 -5 -5 1243.61 1214.30 5\r\n 11 -5 5 1265.46 914.529 4\r\n 11 5 -5 906.547 901.857 7\r\n -11 5 5 2148.63 774.973 6\r\n -11 -5 -4-81.2156 580.372 5\r\n -11 -5 -4 590.870 1108.72 3\r\n 11 -5 4 1006.57 950.155 4\r\n 11 5 -4 2270.13 1183.76 7\r\n -11 5 4 1245.69 801.392 6\r\n -11 -5 -3 2899.45 1119.28 5\r\n -11 -5 -3 5438.02 1382.72 3\r\n 11 -5 3 4673.99 1424.48 4\r\n -11 -5 -3 1763.30 607.242 2\r\n -11 5 3 616.759 706.254 7\r\n 11 5 -3 3482.33 1163.89 7\r\n -11 5 3 3946.19 1245.23 6\r\n 11 5 -3 2931.93 364.814 1\r\n -11 -5 -2 7313.26 1307.01 5\r\n -11 -5 -2 7179.65 1541.64 3\r\n -11 5 2 8887.23 980.208 7\r\n 11 5 -2 9667.26 1566.47 7\r\n -11 -5 -2 7391.10 1166.17 2\r\n 11 -5 2 7827.46 1574.16 4\r\n -11 5 2 9541.11 1618.31 6\r\n 11 -5 1 18898.4 2008.45 4\r\n -11 5 1 16574.2 704.673 7\r\n -11 5 1 15498.5 2114.97 6\r\n -11 -5 -1 19105.8 1917.99 2\r\n -11 -5 -1 19472.7 1700.08 5\r\n -11 5 0 6072.28 1158.62 3\r\n 11 -5 0 5354.60 1043.39 4\r\n -11 -5 0 6548.24 1353.35 2\r\n -11 5 0 5558.77 1338.74 6\r\n 11 5 0 5771.52 1381.77 4\r\n -11 5 -1 18505.3 2160.87 3\r\n 11 -5 -1 17145.7 1467.57 4\r\n 11 5 1 17865.1 2177.27 4\r\n -11 5 -1 16393.0 2302.83 6\r\n -11 -5 1 20112.5 2308.48 2\r\n 11 5 1 17810.1 1506.65 5\r\n 11 -5 -2 8998.89 1595.28 5\r\n -11 5 -2 8444.64 1799.71 3\r\n 11 -5 -2 8604.20 795.504 4\r\n -11 -5 2 8194.93 1709.25 2\r\n -11 5 -2 7668.45 1582.60 6\r\n 11 5 2 8970.74 1593.30 4\r\n 11 5 2 9761.96 1366.76 5\r\n 11 -5 -3 3047.85 1073.96 5\r\n -11 5 -3 722.776 1036.93 3\r\n -11 5 -3 2259.26 983.860 6\r\n 11 5 3 2532.69 1017.12 4\r\n -11 -5 3 1892.89 1205.74 2\r\n 11 -5 -4 2466.73 1230.07 5\r\n -11 -5 4 638.455 945.180 2\r\n 11 5 4 2370.39 1070.22 4\r\n 11 -5 -5 1275.39 1028.71 5\r\n -11 -5 5 166.831 983.543 2\r\n 11 5 5 1776.52 885.821 4\r\n -11 -6 -5 824.344 1046.76 5\r\n 11 6 -5 431.639 1188.62 7\r\n -11 6 5-761.993 716.326 6\r\n -11 -6 -4 4320.71 1389.80 5\r\n -11 -6 -4-285.397 1277.20 3\r\n 11 -6 4 417.856 1273.66 4\r\n 11 6 -4 1805.66 1017.53 7\r\n -11 6 4 2068.95 942.539 6\r\n -11 -6 -3 4228.79 1233.99 5\r\n -11 -6 -3 5898.26 1683.67 3\r\n -11 -6 -3 4351.44 966.121 2\r\n 11 -6 3 4582.51 1644.42 4\r\n -11 6 3 4570.09 1385.39 6\r\n 11 6 -3 3876.25 1418.44 7\r\n -11 -6 -2 15047.1 2014.53 3\r\n 11 -6 2 18181.1 2353.19 4\r\n 11 6 -2 15081.3 2059.99 7\r\n -11 -6 -2 16747.1 1856.11 2\r\n -11 6 2 14839.8 2208.42 6\r\n -11 -6 -2 14233.9 1867.97 5\r\n 11 6 -2 15660.9 1332.24 1\r\n -11 -6 -1 1677.86 687.496 5\r\n -11 6 1 1173.43 627.871 3\r\n 11 -6 1 2314.09 991.079 4\r\n -11 -6 -1 2980.14 1034.48 2\r\n -11 6 1 2691.54 1033.18 6\r\n -11 6 0 524.631 664.976 3\r\n 11 -6 0 414.250 597.650 4\r\n -11 -6 0 504.338 679.312 2\r\n -11 6 0 433.656 694.343 6\r\n -11 -6 0 1571.40 374.965 5\r\n -11 6 -1 3668.68 983.513 3\r\n 11 -6 -1 3442.32 827.145 4\r\n -11 -6 1 3034.08 1231.78 2\r\n -11 6 -1 1475.85 1166.24 6\r\n 11 6 1 866.386 1216.02 4\r\n 11 -6 -2 14125.4 2071.06 5\r\n 11 -6 -2 15065.3 1027.32 4\r\n 11 6 2 16933.3 2363.86 4\r\n -11 -6 2 14537.8 2402.02 2\r\n -11 6 -2 13511.8 2302.57 6\r\n 11 -6 -3 4416.48 1425.32 5\r\n -11 -6 3 5663.66 1550.52 2\r\n 11 6 3 3917.69 1352.60 4\r\n 11 -6 -4 2827.01 1284.91 5\r\n -11 -6 4 1342.27 992.651 2\r\n 11 6 4 4934.20 1265.39 4\r\n 11 -6 -5 4766.99 1398.52 5\r\n -11 -6 5 1801.73 1196.15 2\r\n -11 -7 -4-2065.07 983.209 5\r\n 11 -7 4 601.169 1026.90 4\r\n 11 7 -4 286.316 624.377 7\r\n -11 -7 -3-105.210 924.578 5\r\n 11 -7 3 597.124 846.262 4\r\n 11 7 -3-129.972 769.744 7\r\n -11 7 3-1534.54 1118.96 6\r\n -11 -7 -2 2117.70 688.607 5\r\n 11 -7 2 495.242 1004.88 4\r\n -11 -7 -2 1627.22 850.736 2\r\n 11 7 -2 1877.13 1015.72 7\r\n -11 7 2 2282.51 1181.76 6\r\n -11 -7 -1 7786.19 1312.44 5\r\n 11 -7 1 8532.05 1650.72 4\r\n 11 7 -1 7458.93 1261.61 1\r\n -11 -7 -1 10695.5 1851.87 2\r\n -11 7 1 7335.49 1737.33 6\r\n -11 7 0 7715.83 1436.69 3\r\n 11 -7 0 7944.27 1446.75 4\r\n -11 -7 0 9967.77 1939.72 2\r\n -11 7 0 10650.0 2021.70 6\r\n 11 7 0 6731.37 1300.64 1\r\n -11 -7 0 8339.44 1013.42 5\r\n 11 -7 -1 9291.52 1225.16 4\r\n -11 -7 1 8827.24 1950.82 2\r\n -11 7 -1 9520.49 2011.77 6\r\n 11 -7 -2 866.764 985.257 5\r\n -11 -7 2 3390.62 1151.13 2\r\n 11 -7 -3 460.820 761.167 5\r\n 11 7 3 622.977 1007.76 4\r\n 11 7 4 561.437 1034.52 1\r\n -11 -7 4 921.773 1073.56 2\r\n -11 -8 -2-430.723 708.576 5\r\n 11 -8 2 685.009 591.476 4\r\n 11 8 -2 425.906 778.762 7\r\n -11 -8 -2-1368.42 848.956 2\r\n -11 8 2-639.677 898.919 6\r\n 11 -8 1 497.206 917.337 4\r\n -11 -8 -1 2618.63 1180.78 2\r\n -11 8 1 1185.35 963.023 6\r\n 11 -8 0 909.768 832.052 4\r\n -11 8 0 2044.36 1224.59 6\r\n -11 -8 0 2801.61 1386.45 2\r\n 11 8 0-71.0460 962.475 1\r\n 11 -8 -1 284.708 941.535 5\r\n 11 8 1 2641.67 1075.66 1\r\n -11 -8 1 486.036 1001.06 2\r\n 11 -8 -2-707.045 1252.02 5\r\n 11 8 2 662.476 1016.60 1\r\n -11 -8 2-922.078 870.079 2\r\n -12 0 0 58262.3 2842.25 4\r\n 12 0 0 50572.8 2626.82 4\r\n -12 0 0 56669.6 2703.91 2\r\n 12 0 0 56486.7 2802.53 2\r\n -12 0 -1 42656.8 2613.26 4\r\n -12 0 1 45249.3 2422.48 4\r\n 12 0 -1 46031.6 2465.98 4\r\n -12 0 -1 40235.5 2086.89 2\r\n 12 0 -1 43443.4 2151.79 7\r\n -12 0 1 42334.8 2561.23 2\r\n 12 0 1 37531.7 2173.87 2\r\n -12 0 -1 35854.2 2384.26 6\r\n -12 0 -2 72480.4 3630.66 4\r\n -12 0 2 70984.4 3050.33 4\r\n 12 0 -2 64486.1 3046.20 4\r\n 12 0 -2 56998.0 2826.02 7\r\n -12 0 2 62489.1 3316.48 2\r\n 12 0 2 59627.6 2539.05 2\r\n -12 0 -2 63646.9 2983.67 6\r\n 12 0 2 59601.4 3029.05 5\r\n -12 0 3 537.970 783.093 2\r\n 12 0 3 1285.57 486.890 2\r\n -12 0 -3 518.394 1120.02 3\r\n 12 0 -3 1260.11 526.436 5\r\n 12 0 -3 1298.00 521.037 1\r\n 12 0 -3 1418.49 690.076 7\r\n -12 0 3 79.1529 700.877 7\r\n 12 0 3 1011.94 690.990 4\r\n -12 0 3 862.812 421.909 4\r\n -12 0 -3 445.110 405.580 6\r\n -12 0 4 1565.54 943.953 2\r\n 12 0 4 1506.08 397.539 2\r\n 12 0 -4 1204.44 621.094 5\r\n 12 0 -4 1930.87 529.642 1\r\n -12 0 -4 1924.73 1285.06 3\r\n 12 0 -4 851.542 789.537 7\r\n 12 0 4 1710.78 901.087 4\r\n -12 0 -4 1378.01 562.303 6\r\n -12 0 4 1978.58 582.808 4\r\n 12 0 -5-42.8122 562.979 5\r\n -12 0 -5 6.80729 1360.65 3\r\n 12 0 -5-507.212 1086.47 7\r\n 12 0 -5 897.499 572.320 1\r\n 12 0 5 534.748 850.081 4\r\n -12 0 5 689.297 746.515 2\r\n 12 0 -6 1215.77 766.243 5\r\n 12 0 -6 2174.95 1309.56 7\r\n 12 0 6 281.789 1030.66 4\r\n -12 0 6 3040.79 1085.76 2\r\n 12 1 -6 1357.16 673.990 5\r\n 12 1 -6 1346.40 1065.43 7\r\n 12 -1 6 1517.40 1252.73 4\r\n -12 1 6-68.8123 439.399 2\r\n 12 1 -5 6063.48 1160.66 5\r\n -12 -1 -5 6441.00 2177.98 3\r\n 12 1 -5 5110.82 1610.40 7\r\n 12 -1 5 6518.86 1549.14 4\r\n -12 1 5 8014.02 1041.29 4\r\n -12 1 5 4068.26 1202.00 2\r\n 12 1 -4 2997.09 801.855 5\r\n 12 1 -4 2331.26 613.963 1\r\n -12 -1 -4 3208.37 1559.80 3\r\n 12 -1 4 1944.53 842.686 7\r\n 12 1 -4 1934.43 877.244 7\r\n 12 -1 4 4727.66 1347.24 4\r\n -12 -1 -4 3280.93 578.070 6\r\n -12 1 4 3209.55 702.893 4\r\n 12 -1 4 2456.24 588.080 2\r\n -12 1 4 2833.86 1003.88 2\r\n -12 -1 -3 17076.5 2416.45 3\r\n 12 -1 3 16450.0 1965.36 4\r\n -12 1 3 17601.4 1502.14 4\r\n 12 1 -3 17763.0 1395.27 1\r\n 12 -1 3 16619.8 1529.34 7\r\n 12 1 -3 13797.0 1742.92 7\r\n 12 -1 3 18344.4 1486.76 2\r\n -12 1 3 19156.0 1746.51 7\r\n -12 1 3 15507.0 1877.84 2\r\n -12 -1 -3 18278.8 1498.16 6\r\n 12 1 -3 16985.4 1335.98 5\r\n -12 -1 -2 26266.9 2193.42 4\r\n 12 -1 2 26731.5 2273.78 4\r\n -12 1 2 22513.1 1669.12 4\r\n -12 -1 -2 25610.4 1492.43 2\r\n 12 1 -2 20519.6 2050.93 4\r\n 12 1 -2 25412.9 2022.09 7\r\n -12 1 2 22196.8 2059.21 2\r\n 12 -1 2 23436.0 1734.90 2\r\n -12 -1 -2 25173.1 1877.73 6\r\n 12 1 -2 23975.4 1326.65 5\r\n -12 -1 -1 15772.1 1684.12 4\r\n -12 1 1 16755.7 1472.08 4\r\n 12 -1 1 14798.7 1538.43 4\r\n 12 1 -1 14938.6 1596.32 4\r\n -12 1 1 14806.3 1557.47 2\r\n 12 1 -1 16422.6 1522.71 7\r\n -12 -1 -1 15596.9 1381.99 2\r\n 12 -1 1 16204.2 1494.13 2\r\n 12 1 -1 15752.9 1683.63 2\r\n 12 1 0 25907.6 2007.28 2\r\n -12 1 0 30173.2 2070.90 4\r\n -12 -1 0 28896.8 2049.91 4\r\n 12 -1 0 24817.6 1836.27 4\r\n -12 1 0 26484.3 1883.77 2\r\n -12 -1 0 28593.8 1992.96 2\r\n 12 -1 0 27548.2 2023.81 2\r\n -12 1 0 27241.0 2185.67 6\r\n -12 1 -1 15823.0 1662.86 4\r\n -12 -1 1 17728.2 1605.57 4\r\n 12 -1 -1 14240.3 1364.51 4\r\n 12 -1 -1 13731.1 1185.05 7\r\n -12 -1 1 16068.0 1654.90 2\r\n 12 1 1 13644.9 1351.09 2\r\n -12 1 -1 16425.7 1679.99 6\r\n 12 1 1 15141.9 1398.85 5\r\n -12 1 -2 25925.1 2577.97 3\r\n -12 1 -2 29225.5 2398.60 4\r\n 12 1 2 24729.8 2055.45 4\r\n -12 -1 2 24835.4 2000.55 4\r\n 12 -1 -2 24977.3 1791.58 4\r\n 12 -1 -2 23396.2 1836.39 7\r\n 12 -1 -2 26571.9 1889.62 1\r\n -12 -1 2 21146.7 2120.66 2\r\n 12 1 2 25284.5 1622.37 2\r\n -12 1 -2 23808.5 1995.42 6\r\n 12 -1 -2 27654.8 2297.18 2\r\n 12 1 2 24088.1 2015.87 5\r\n -12 1 -3 15698.9 2333.66 3\r\n -12 -1 3 18836.4 2076.92 2\r\n 12 -1 -3 19144.1 1699.58 1\r\n 12 1 3 17129.9 1895.74 4\r\n -12 -1 3 16975.4 1733.86 4\r\n 12 -1 -3 17730.3 1910.88 7\r\n 12 1 3 18693.1 1185.70 2\r\n -12 1 -3 19157.9 1797.49 6\r\n 12 -1 -3 18469.7 1672.85 5\r\n -12 -1 4 2591.12 1040.52 2\r\n 12 -1 -4 4071.26 940.735 1\r\n 12 -1 -4 3596.08 1003.56 5\r\n -12 1 -4 2982.62 1393.54 3\r\n 12 -1 -4 3369.46 1118.53 7\r\n 12 1 4 3468.82 1057.88 4\r\n -12 1 -4 2930.57 838.263 6\r\n -12 -1 5 5370.46 1578.34 2\r\n 12 -1 -5 4918.50 1261.74 5\r\n -12 1 -5 1680.62 1386.08 3\r\n 12 -1 -5 5108.54 1569.06 7\r\n 12 1 5 6599.30 1579.66 4\r\n -12 -1 6-4.56107 462.384 2\r\n 12 -1 -6 282.896 1037.78 5\r\n 12 -1 -6 1654.26 995.410 7\r\n 12 1 6 1383.93 1021.59 4\r\n 12 -2 6 2781.67 1490.38 4\r\n 12 2 -6 4021.16 1584.34 7\r\n -12 2 6 2777.64 1028.74 2\r\n -12 2 6 2798.84 1178.64 6\r\n 12 2 -5 5489.48 1054.81 5\r\n -12 -2 -5 6150.01 1957.76 3\r\n 12 2 -5 8718.55 1772.83 7\r\n 12 -2 5 7317.73 1771.12 4\r\n -12 2 5 7412.87 1477.16 2\r\n 12 2 -4 3404.62 742.528 5\r\n 12 2 -4 4413.27 644.438 1\r\n -12 -2 -4 4814.85 1584.60 3\r\n 12 -2 4 4073.28 930.337 7\r\n -12 2 4 2719.51 591.776 4\r\n 12 2 -4 2462.37 1224.78 7\r\n 12 -2 4 2959.81 795.940 2\r\n -12 -2 -4 2957.60 469.636 6\r\n 12 -2 4 2191.11 1183.02 4\r\n -12 2 4 2935.33 971.087 2\r\n 12 -2 4 4580.36 1170.87 6\r\n 12 2 -3 946.807 355.109 5\r\n 12 2 -3 766.916 449.137 1\r\n -12 -2 -3 544.064 1074.05 3\r\n 12 -2 3 723.242 543.591 7\r\n 12 -2 3 690.613 720.350 4\r\n 12 2 -3-135.290 663.001 7\r\n -12 2 3 821.728 573.476 7\r\n -12 2 3 758.936 349.050 4\r\n 12 -2 3 814.442 430.514 2\r\n -12 2 3-129.135 916.755 2\r\n -12 -2 -3 915.136 493.495 6\r\n 12 -2 3 1172.97 636.406 6\r\n 12 -2 2 2783.60 548.753 7\r\n 12 -2 2 1455.39 894.967 4\r\n 12 2 -2 2086.67 783.214 7\r\n -12 -2 -2 3103.80 822.785 4\r\n -12 2 2 1605.60 493.670 4\r\n -12 2 2 2410.38 602.369 7\r\n -12 2 2 2462.80 854.754 2\r\n 12 -2 2 3488.19 828.459 2\r\n -12 2 2 2045.31 873.670 6\r\n -12 -2 -2 2826.56 559.253 2\r\n 12 2 -2 3080.92 396.353 5\r\n 12 2 -2 1935.05 989.872 4\r\n -12 2 1 19686.4 1588.32 4\r\n 12 -2 1 20359.1 1843.55 4\r\n -12 -2 -1 23725.1 1999.49 4\r\n -12 2 1 20575.0 1865.29 2\r\n 12 2 -1 15084.4 1763.26 4\r\n 12 -2 1 21487.2 1804.16 2\r\n -12 -2 -1 21916.9 1640.15 2\r\n 12 2 -1 19744.9 1953.61 2\r\n -12 2 1 18499.7 1964.75 6\r\n 12 2 0 976.189 297.302 5\r\n -12 -2 0-41.1130 571.346 2\r\n -12 2 0 457.414 392.233 4\r\n 12 -2 0 201.138 258.263 7\r\n 12 2 0 756.826 443.644 2\r\n 12 -2 0-54.4240 464.111 4\r\n -12 -2 0 1016.76 553.283 4\r\n -12 2 0 584.839 534.063 6\r\n 12 -2 0 591.704 481.514 2\r\n -12 2 -1 20138.7 1892.91 4\r\n 12 -2 -1 21013.7 1550.81 4\r\n -12 -2 1 23231.6 1978.50 4\r\n 12 2 1 18854.7 1863.23 4\r\n 12 -2 -1 19968.5 1333.10 7\r\n -12 -2 1 19880.1 1945.22 2\r\n -12 2 -1 15748.4 1745.95 6\r\n 12 2 1 22003.7 1750.24 2\r\n 12 2 1 19173.3 1588.89 5\r\n 12 2 2 3516.43 907.850 5\r\n -12 2 -2 3532.40 1146.33 3\r\n -12 -2 2 2822.11 976.681 2\r\n -12 2 -2 2713.38 857.771 4\r\n 12 -2 -2 2104.21 720.214 7\r\n 12 2 2 2248.90 914.633 4\r\n 12 2 2 1999.89 568.914 2\r\n -12 2 -2 3098.48 907.151 6\r\n -12 -2 2 3320.40 870.106 4\r\n 12 -2 -2 2478.05 773.715 1\r\n 12 -2 -2 2526.33 628.154 4\r\n 12 -2 -3 1134.58 705.848 5\r\n -12 2 -3 1836.86 1153.64 3\r\n -12 -2 3 970.649 788.314 2\r\n 12 -2 -3 882.078 632.004 7\r\n 12 2 3 660.821 723.040 4\r\n -12 2 -3 658.919 612.168 6\r\n 12 -2 -4 1983.96 1030.90 5\r\n -12 -2 4 3360.19 1135.34 2\r\n -12 2 -4 1685.28 1269.04 3\r\n 12 -2 -4 2113.98 1099.12 7\r\n 12 2 4 2810.97 1041.92 4\r\n -12 2 -4 2060.90 912.001 6\r\n 12 -2 -5 7355.33 1591.11 5\r\n -12 -2 5 8110.62 1702.21 2\r\n 12 -2 -5 6542.88 1736.32 7\r\n 12 2 5 7969.62 1612.15 4\r\n 12 -2 -6 3488.32 1419.95 5\r\n -12 -2 6 4377.52 1399.32 2\r\n 12 -2 -6 4561.94 1456.27 7\r\n 12 2 6 5716.64 1534.84 4\r\n 12 3 -6 1141.86 1020.36 7\r\n 12 -3 6 329.885 1139.09 4\r\n -12 3 6 841.515 939.367 6\r\n -12 -3 -5 2923.73 1647.90 3\r\n 12 -3 5 2374.73 1392.13 4\r\n 12 3 -5 3119.09 1574.37 7\r\n -12 3 5 3446.08 1054.09 6\r\n -12 -3 -4 15919.5 2700.08 3\r\n -12 3 4 16255.4 1008.74 4\r\n 12 -3 4 17400.2 2397.11 4\r\n 12 -3 4 16345.2 1608.71 7\r\n 12 3 -4 15166.9 2240.35 7\r\n -12 -3 -4 15545.3 768.628 6\r\n -12 3 4 13561.9 1988.49 6\r\n 12 3 -4 16030.8 949.194 1\r\n -12 -3 -3 11892.0 2154.89 3\r\n -12 3 3 11421.7 991.055 4\r\n 12 -3 3 13401.4 1925.22 4\r\n -12 -3 -3 12196.6 842.459 2\r\n 12 -3 3 11783.6 1190.04 7\r\n -12 3 3 14134.3 1469.67 7\r\n 12 3 -3 11471.6 1791.75 7\r\n -12 3 3 12152.0 1764.13 6\r\n -12 -3 -2 1218.59 480.213 2\r\n 12 -3 2 1823.43 771.653 4\r\n -12 3 2 2409.82 593.732 4\r\n 12 -3 2 1720.18 402.423 7\r\n -12 3 2 1849.74 534.656 7\r\n 12 3 -2 663.831 739.758 7\r\n 12 -3 2 2244.35 749.589 2\r\n -12 3 2 2579.66 975.520 6\r\n 12 3 -1 18066.8 2077.42 4\r\n -12 3 1 18346.8 1586.01 4\r\n 12 -3 1 19664.8 1926.46 4\r\n -12 -3 -1 21678.5 2024.14 4\r\n 12 -3 1 23818.0 2039.22 2\r\n -12 -3 -1 21773.4 1775.14 2\r\n -12 3 1 18109.5 2068.68 6\r\n 12 -3 1 21916.1 2245.79 6\r\n 12 3 -1 19707.5 760.916 5\r\n -12 3 0 8165.89 1204.76 4\r\n 12 -3 0 8243.79 1154.32 4\r\n -12 -3 0 6064.97 1233.84 2\r\n -12 -3 0 9419.71 1368.27 4\r\n -12 3 0 8067.11 1527.59 6\r\n 12 -3 0 7951.27 1303.27 2\r\n 12 3 0 8403.95 1489.56 4\r\n 12 3 0 8542.66 912.210 5\r\n -12 3 -1 21473.5 2093.85 4\r\n 12 -3 -1 21130.3 1566.07 4\r\n 12 -3 -1 20555.6 1256.28 7\r\n 12 3 1 24108.6 2195.94 4\r\n -12 -3 1 19970.4 2107.24 2\r\n -12 3 -1 20035.4 2148.35 6\r\n 12 3 1 21661.7 1724.74 5\r\n -12 3 -1 20695.3 2266.60 3\r\n 12 3 2 1635.99 730.086 5\r\n -12 3 -2 1841.87 893.723 3\r\n -12 -3 2 1704.46 1032.15 2\r\n 12 -3 -2 1701.80 613.338 7\r\n -12 3 -2 989.110 652.460 6\r\n 12 3 2 516.039 626.839 4\r\n 12 -3 -2 1940.51 545.884 4\r\n 12 -3 -3 9945.14 1534.19 5\r\n -12 3 -3 12960.9 2363.80 3\r\n -12 -3 3 10771.8 1865.33 2\r\n 12 3 3 11517.7 1690.77 4\r\n 12 -3 -3 10951.8 1544.65 7\r\n -12 3 -3 11592.5 1739.97 6\r\n -12 3 -4 19266.5 2993.66 3\r\n 12 3 4 15417.0 1990.75 4\r\n 12 -3 -4 16429.1 2083.06 7\r\n -12 -3 4 16961.1 2331.28 2\r\n -12 3 -4 14896.5 1998.50 6\r\n 12 -3 -4 18671.7 2235.89 5\r\n 12 -3 -5 3330.09 1287.42 5\r\n -12 -3 5 3055.10 1243.95 2\r\n 12 -3 -5 3114.37 1247.22 7\r\n 12 3 5 3531.80 1156.93 4\r\n 12 -3 -6 1305.17 1017.77 5\r\n -12 -3 6 3422.72 1464.97 2\r\n 12 -3 -6 2702.88 1078.44 7\r\n 12 3 6 1314.83 1115.65 4\r\n 12 4 -6 4624.82 1923.75 7\r\n 12 -4 6 5335.17 1725.97 4\r\n -12 -4 -6 4607.71 1800.33 5\r\n 12 -4 5 1629.56 974.816 4\r\n 12 4 -5 1166.66 1119.54 7\r\n -12 4 5 1922.18 701.055 6\r\n -12 -4 -5 537.960 1058.71 5\r\n -12 -4 -4-965.692 1068.45 3\r\n 12 -4 4-518.952 746.394 4\r\n 12 4 -4-68.0838 991.409 7\r\n -12 4 4 84.7505 667.915 6\r\n -12 -4 -4 93.3518 847.296 5\r\n -12 -4 -3 4010.17 613.356 2\r\n -12 -4 -3 4295.44 1413.12 3\r\n 12 -4 3 3998.62 1367.86 4\r\n -12 4 3 3403.22 885.225 7\r\n 12 -4 3 4652.84 649.413 7\r\n 12 4 -3 6013.39 1374.07 7\r\n -12 4 3 4673.05 1159.52 6\r\n -12 -4 -3 2580.62 977.270 5\r\n -12 -4 -2 1046.15 548.060 2\r\n 12 -4 2 1519.74 909.177 4\r\n -12 4 2 1327.06 470.552 7\r\n 12 4 -2 1389.33 927.672 7\r\n -12 4 2 1424.83 863.668 6\r\n -12 -4 -2 2068.85 738.895 5\r\n -12 -4 -1 5893.88 1089.65 2\r\n 12 -4 1 6176.41 1221.98 4\r\n -12 4 1 5883.86 1374.10 6\r\n 12 4 -1 7538.73 1631.64 4\r\n 12 -4 0 31218.2 2177.69 4\r\n -12 -4 0 26598.0 2325.41 2\r\n -12 4 0 27873.1 2636.40 6\r\n 12 4 0 30729.1 1490.90 5\r\n -12 4 -1 8305.73 1539.85 3\r\n 12 4 1 6818.10 1017.44 5\r\n 12 -4 -1 7433.24 990.691 4\r\n -12 -4 1 6830.57 1365.48 2\r\n -12 4 -1 9512.25 1654.77 6\r\n 12 4 1 6693.56 1390.88 4\r\n 12 4 2 1351.69 668.486 5\r\n -12 4 -2 1770.38 1022.00 3\r\n -12 -4 2 143.389 1041.16 2\r\n -12 4 -2 113.289 996.980 6\r\n 12 -4 -2 699.426 424.259 4\r\n 12 4 2 770.737 834.561 4\r\n 12 -4 -3 3929.89 1155.45 5\r\n -12 4 -3 4635.75 1340.47 3\r\n -12 -4 3 3677.22 1328.77 2\r\n -12 4 -3 5042.38 1377.07 6\r\n 12 4 3 3996.13 1195.37 4\r\n 12 -4 -4 186.642 788.488 5\r\n -12 4 -4-616.941 1096.50 3\r\n -12 -4 4 828.194 964.955 2\r\n 12 4 4 405.637 799.506 4\r\n 12 -4 -5 1185.71 1209.91 5\r\n -12 -4 5 400.776 980.592 2\r\n 12 4 5 1058.65 867.717 4\r\n 12 -4 -6 4310.77 1577.42 5\r\n -12 -4 6 7870.12 1802.38 2\r\n 12 4 6 4578.89 1295.82 4\r\n 12 -5 5 3030.90 1535.36 4\r\n 12 5 -5 3884.30 1417.84 7\r\n -12 5 5 5702.31 1270.52 6\r\n -12 -5 -5 2165.77 1373.85 5\r\n -12 -5 -4 5568.55 1865.43 3\r\n 12 -5 4 5347.41 1782.48 4\r\n 12 5 -4 4641.67 1390.46 7\r\n -12 5 4 6255.76 1417.44 6\r\n -12 -5 -4 3780.95 1263.83 5\r\n -12 -5 -3 7210.50 1760.99 3\r\n -12 -5 -3 4802.62 856.402 2\r\n 12 -5 3 4751.42 1286.41 4\r\n -12 5 3 4645.43 954.137 7\r\n 12 5 -3 7099.83 1571.82 7\r\n -12 5 3 5070.31 1515.39 6\r\n -12 -5 -3 6435.88 1443.54 5\r\n -12 -5 -2 1072.47 610.108 2\r\n 12 -5 2 1324.42 720.577 4\r\n -12 5 2 2047.00 502.266 7\r\n -12 5 2 1976.68 915.265 6\r\n 12 5 -2 1854.09 834.606 7\r\n -12 -5 -2 1005.70 979.410 3\r\n -12 -5 -2 455.602 629.325 5\r\n 12 -5 1 164.188 678.525 4\r\n -12 -5 -1 8.32891 650.504 2\r\n -12 5 1-439.130 656.762 6\r\n -12 -5 -1-940.148 570.819 5\r\n -12 5 0 3062.49 1062.18 3\r\n -12 -5 0 4395.70 1029.38 2\r\n 12 -5 0 3860.70 877.600 4\r\n -12 5 0 3399.32 1185.20 6\r\n 12 5 0 1048.47 1132.30 4\r\n -12 5 -1 495.277 753.621 3\r\n 12 5 1 364.614 363.860 5\r\n -12 -5 1-1594.75 1023.62 2\r\n 12 -5 -1 135.769 421.983 4\r\n -12 5 -1-1383.68 1005.12 6\r\n 12 5 1-32.5097 874.603 4\r\n 12 5 2 1255.41 708.885 5\r\n -12 5 -2 1989.85 1085.38 3\r\n -12 -5 2 2182.26 1113.95 2\r\n -12 5 -2 1213.18 1041.18 6\r\n 12 -5 -2 946.629 388.713 4\r\n 12 5 2 141.862 825.516 4\r\n 12 -5 -3 6923.64 1477.40 5\r\n -12 5 -3 7182.28 1982.11 3\r\n -12 -5 3 5370.20 1754.77 2\r\n -12 5 -3 6751.32 1580.66 6\r\n 12 5 3 4826.95 1252.81 4\r\n 12 -5 -4 5436.18 1427.63 5\r\n -12 -5 4 2956.41 1308.23 2\r\n 12 5 4 4097.74 1265.03 4\r\n 12 -5 -5 4029.58 1681.77 5\r\n -12 -5 5 3409.94 1265.75 2\r\n 12 5 5 1303.02 1094.87 4\r\n -12 -6 -4 724.440 740.581 5\r\n -12 -6 -4 30.5448 1308.13 3\r\n 12 -6 4 521.543 1253.12 4\r\n 12 6 -4 435.381 1023.44 7\r\n -12 6 4 1027.87 1115.03 6\r\n -12 -6 -3 1041.72 966.348 5\r\n -12 -6 -3 2701.30 1225.79 3\r\n 12 -6 3 1342.11 1211.35 4\r\n 12 6 -3-275.324 866.796 7\r\n -12 6 3 1907.30 1100.64 6\r\n -12 -6 -2 10443.7 1545.90 5\r\n -12 -6 -2 10419.9 1736.20 3\r\n -12 -6 -2 8303.67 1375.70 2\r\n 12 -6 2 5180.87 1467.80 4\r\n 12 6 -2 8645.02 1652.72 7\r\n -12 6 2 6728.48 1596.03 6\r\n -12 6 1 8691.42 1395.24 3\r\n 12 -6 1 8404.40 1614.30 4\r\n -12 -6 -1 9711.39 1581.96 2\r\n -12 6 1 10047.1 1859.32 6\r\n -12 -6 -1 10242.0 1333.53 5\r\n -12 6 0 1480.45 826.444 3\r\n 12 -6 0 881.756 586.702 4\r\n -12 -6 0-11.4218 805.764 2\r\n -12 6 0 2997.35 1092.05 6\r\n -12 6 -1 11731.6 1877.45 3\r\n 12 -6 -1 9856.72 1239.97 4\r\n -12 -6 1 10111.8 1913.08 2\r\n -12 6 -1 9176.54 1981.90 6\r\n 12 6 1 8453.06 1893.98 4\r\n 12 6 1 10149.3 1208.13 5\r\n 12 -6 -2 6781.63 1566.41 5\r\n -12 6 -2 7797.09 1810.12 3\r\n -12 -6 2 6222.49 1689.55 2\r\n -12 6 -2 7880.53 1849.58 6\r\n 12 6 2 5768.31 1538.73 4\r\n 12 -6 -3 1286.73 1088.13 5\r\n -12 -6 3 2702.66 1163.15 2\r\n 12 6 3 168.183 970.468 4\r\n 12 -6 -4 1121.73 596.935 5\r\n -12 -6 4 2309.58 1232.43 2\r\n 12 6 4-26.4601 1088.72 4\r\n -12 -7 -4-1035.33 1012.58 5\r\n 12 -7 4-224.244 1122.32 4\r\n 12 7 -4 2230.33 1280.71 7\r\n -12 7 4 1519.64 1019.39 6\r\n -12 -7 -3 2196.76 1151.85 5\r\n 12 7 -3 2611.69 1036.86 7\r\n 12 -7 3 1221.17 1102.26 4\r\n -12 7 3 1905.04 1105.92 6\r\n -12 -7 -2 8749.58 1374.10 5\r\n 12 7 -2 4069.80 1403.15 7\r\n 12 -7 2 5284.57 1598.68 4\r\n -12 -7 -2 3517.37 1004.85 2\r\n -12 7 2 4671.61 1442.96 6\r\n -12 -7 -1 1066.84 625.376 5\r\n 12 -7 1 651.682 928.811 4\r\n -12 -7 -1 752.653 906.348 2\r\n 12 7 -1 478.976 594.634 1\r\n -12 7 1 607.270 728.889 6\r\n -12 7 0-475.524 630.106 3\r\n 12 -7 0 88.9081 628.803 4\r\n -12 -7 0 182.091 885.016 2\r\n -12 7 0 194.699 932.986 6\r\n -12 7 -1-208.314 920.657 3\r\n 12 -7 -1 189.244 561.853 4\r\n -12 -7 1 118.936 992.774 2\r\n -12 7 -1 2624.77 1212.46 6\r\n 12 -7 -2 4211.37 1445.85 5\r\n -12 -7 2 4185.93 1593.96 2\r\n -12 7 -2 2136.70 1259.61 6\r\n 12 -7 -3 1731.14 1051.36 5\r\n -12 -7 3 969.469 876.035 2\r\n 12 7 3 4090.26 1290.66 4\r\n 12 -7 -4 3300.89 1512.81 5\r\n -12 -7 4 4293.99 1628.48 2\r\n 12 -8 2 1464.12 1185.63 4\r\n 12 8 -2 18.2984 1109.61 7\r\n -12 8 2 623.053 1341.65 6\r\n 12 -8 1 831.562 921.094 4\r\n -12 -8 -1 515.240 833.181 2\r\n -12 8 1-958.650 1230.20 6\r\n 12 -8 0-1131.11 805.264 4\r\n -12 -8 0-595.587 906.318 2\r\n -12 8 0-940.174 1094.99 6\r\n 12 8 0-126.146 791.476 1\r\n -12 8 -1 144.661 1130.05 6\r\n 12 8 1 911.400 927.406 1\r\n -12 -8 1 5.68181 1029.00 2\r\n 12 -8 -2 296.019 418.953 5\r\n 12 8 2 1394.24 1179.75 1\r\n -12 -8 2 601.699 1524.74 2\r\n 13 0 0 51.8011 460.422 2\r\n -13 0 0 350.400 366.440 4\r\n 13 0 0-80.8962 650.845 4\r\n -13 0 0 348.795 490.901 2\r\n 13 0 1 2774.37 711.692 2\r\n 13 0 -1 2459.34 763.042 2\r\n -13 0 -1 3557.14 868.953 4\r\n 13 0 -1 2501.63 659.496 7\r\n -13 0 1 3061.03 723.863 4\r\n -13 0 -1 2558.46 686.997 2\r\n 13 0 -1 2600.08 746.253 4\r\n -13 0 -1 2048.01 793.240 6\r\n -13 0 1 2286.08 900.044 2\r\n 13 0 2 11147.3 1537.49 4\r\n -13 0 2 9405.13 1253.85 4\r\n 13 0 -2 10792.1 1404.49 4\r\n 13 0 -2 9722.00 1278.08 7\r\n -13 0 2 12029.5 1613.30 2\r\n 13 0 2 9424.80 1129.59 2\r\n -13 0 -2 10644.7 1518.43 4\r\n -13 0 -2 10558.8 1375.96 6\r\n 13 0 2 9203.97 1277.60 5\r\n -13 0 -3 24162.3 2865.47 3\r\n 13 0 3 27112.0 2477.31 4\r\n 13 0 -3 28207.0 1980.43 1\r\n -13 0 3 25178.2 2031.12 4\r\n 13 0 -3 27196.2 2342.03 7\r\n -13 0 3 25464.2 2418.92 2\r\n 13 0 3 27600.5 1737.44 2\r\n -13 0 -3 28055.1 2104.10 6\r\n 13 0 -3 25076.1 1830.12 5\r\n 13 0 -4 4898.36 972.083 5\r\n -13 0 -4 6535.82 1910.46 3\r\n 13 0 -4 4248.96 949.184 1\r\n 13 0 4 6416.86 770.590 2\r\n 13 0 -4 3605.58 1132.37 7\r\n 13 0 4 5565.75 1357.13 4\r\n -13 0 -4 4799.01 870.386 6\r\n -13 0 4 5824.60 1059.80 4\r\n -13 0 4 3207.73 1052.87 2\r\n 13 0 -5 3923.37 956.073 5\r\n -13 0 -5 2017.98 1669.69 3\r\n 13 0 -5 1555.68 1153.43 7\r\n 13 0 5 2652.92 1159.18 4\r\n -13 0 5 2990.27 984.266 2\r\n 13 0 -6 1048.20 815.673 5\r\n 13 0 -6-560.922 755.585 7\r\n 13 0 6 1815.89 1179.60 4\r\n -13 0 6 855.111 1111.36 2\r\n 13 1 -6-22.9496 1100.15 7\r\n 13 -1 6 1332.96 1144.31 4\r\n -13 1 6-372.376 789.379 2\r\n 13 1 -5 2258.93 861.799 5\r\n -13 -1 -5 3228.77 1753.18 3\r\n 13 1 -5 750.306 1105.35 7\r\n 13 -1 5 3377.82 1421.18 4\r\n -13 1 5 3787.63 1058.57 2\r\n 13 1 -4 1701.54 616.690 5\r\n -13 -1 -4 2833.08 1578.06 3\r\n 13 1 -4 1365.71 594.329 1\r\n 13 1 -4 3077.95 1046.22 7\r\n 13 -1 4 1884.96 944.140 4\r\n -13 1 4 1665.55 618.498 4\r\n -13 -1 -4 743.826 406.112 6\r\n 13 -1 4 1885.31 538.752 2\r\n -13 1 4 1522.21 697.598 2\r\n -13 -1 -3 818.637 1191.95 3\r\n 13 1 -3 1799.12 575.934 5\r\n 13 1 -3 1930.77 577.103 1\r\n 13 -1 3 2010.71 613.505 7\r\n -13 1 3 1494.11 649.825 7\r\n 13 1 -3 1795.56 959.027 7\r\n -13 1 3 1862.96 553.005 4\r\n -13 -1 -3 1838.90 575.989 6\r\n 13 -1 3 2054.85 943.246 4\r\n -13 1 3 2042.39 831.975 2\r\n 13 -1 3 1931.42 668.244 2\r\n -13 -1 -2 36274.2 2663.86 4\r\n 13 -1 2 35831.4 2619.55 4\r\n -13 1 2 34743.7 2152.92 4\r\n -13 -1 -2 31561.3 1761.14 2\r\n 13 1 -2 31335.3 2470.83 4\r\n -13 1 2 32060.3 2511.44 2\r\n 13 1 -2 32504.1 2292.90 7\r\n 13 -1 2 31063.2 2084.39 2\r\n -13 -1 -2 31612.1 2214.23 6\r\n -13 1 1 10503.3 1272.30 4\r\n 13 -1 1 11515.8 1380.83 4\r\n 13 1 -1 8495.21 1237.73 4\r\n -13 1 1 9830.99 1393.47 2\r\n -13 -1 -1 9581.38 1152.98 2\r\n 13 1 -1 8307.05 1229.46 7\r\n 13 -1 1 10351.6 1287.23 2\r\n -13 -1 -1 9189.46 1359.88 4\r\n 13 1 -1 10710.4 1473.30 2\r\n -13 -1 0 3312.60 840.478 2\r\n 13 -1 0 3214.29 737.815 2\r\n 13 1 0 2231.02 847.527 2\r\n -13 1 0 3609.86 831.225 4\r\n -13 -1 0 2596.81 791.307 4\r\n 13 -1 0 2321.25 771.725 4\r\n -13 1 0 2302.47 729.805 2\r\n -13 1 0 2213.95 880.346 6\r\n 13 -1 -1 8881.78 1332.77 2\r\n -13 1 -1 9656.82 1295.67 4\r\n -13 -1 1 8676.82 1180.48 4\r\n 13 -1 -1 7998.89 1124.32 4\r\n 13 -1 -1 8769.94 981.692 7\r\n -13 -1 1 10687.7 1425.69 2\r\n 13 1 1 9738.93 1214.59 2\r\n -13 1 -1 9357.77 1397.77 6\r\n 13 1 1 8528.41 1088.56 5\r\n -13 1 -2 34813.5 3140.79 3\r\n 13 1 2 30335.3 2403.70 4\r\n -13 -1 2 31797.0 2333.73 4\r\n 13 -1 -2 35491.8 2175.42 4\r\n 13 -1 -2 30563.5 2138.51 7\r\n 13 -1 -2 33382.8 2152.15 1\r\n -13 -1 2 30814.7 2505.75 2\r\n 13 1 2 30542.4 1897.88 2\r\n -13 1 -2 29120.4 2346.40 6\r\n 13 1 2 31898.5 2318.55 5\r\n -13 -1 3 2528.88 1055.97 2\r\n 13 -1 -3 1279.78 695.277 1\r\n -13 1 -3 1390.44 1121.84 3\r\n 13 -1 -3 816.870 551.650 5\r\n 13 1 3 2069.64 506.140 2\r\n 13 -1 -3 2595.01 880.561 7\r\n 13 1 3 3402.67 922.534 4\r\n -13 1 -3 1843.48 761.581 6\r\n -13 -1 3 2135.66 706.119 4\r\n 13 -1 -3 2184.35 804.549 4\r\n -13 -1 4 1674.13 793.698 2\r\n 13 -1 -4 1908.70 791.771 5\r\n -13 1 -4 486.934 1447.51 3\r\n 13 -1 -4 2560.40 907.888 7\r\n 13 1 4 1512.23 924.867 4\r\n -13 1 -4 1206.81 706.829 6\r\n -13 -1 5 2552.77 1031.09 2\r\n 13 -1 -5 4677.79 1228.69 5\r\n -13 1 -5 3244.67 1576.53 3\r\n 13 -1 -5 2584.16 1262.42 7\r\n 13 1 5 3092.12 1139.20 4\r\n -13 -1 6 2228.42 1059.82 2\r\n 13 -1 -6 1112.28 1008.85 5\r\n 13 -1 -6 2669.51 1253.90 7\r\n 13 1 6 1190.10 1076.12 4\r\n 13 2 -6-11.7579 1156.50 7\r\n 13 -2 6-266.773 1418.30 4\r\n -13 2 6 1854.49 693.256 2\r\n -13 2 6 452.330 570.367 6\r\n 13 2 -5 3178.64 767.380 5\r\n -13 -2 -5 1556.52 1710.41 3\r\n 13 2 -5 3808.13 1326.83 7\r\n 13 -2 5 3654.93 1597.44 4\r\n -13 2 5 3907.46 1147.39 2\r\n 13 2 -4 10034.5 1035.18 1\r\n -13 -2 -4 12029.0 2524.79 3\r\n -13 2 4 8627.89 1035.89 4\r\n 13 -2 4 11265.8 1386.58 2\r\n 13 -2 4 10080.4 1430.53 7\r\n 13 2 -4 9532.07 1864.20 7\r\n 13 -2 4 11380.7 1900.24 4\r\n -13 -2 -4 11132.2 1005.01 6\r\n -13 2 4 11011.7 1753.52 2\r\n 13 -2 4 8544.18 1581.31 6\r\n 13 2 -4 11612.9 1103.78 5\r\n -13 -2 -3 16347.1 2500.13 3\r\n 13 -2 3 13226.6 1889.34 4\r\n -13 2 3 13369.8 1281.66 4\r\n 13 -2 3 16283.3 1502.11 7\r\n -13 2 3 15115.8 1865.69 2\r\n 13 -2 3 13603.9 1503.79 2\r\n 13 2 -3 13507.3 1883.11 7\r\n -13 2 3 16556.5 1640.16 7\r\n 13 2 -3 14069.4 1215.60 1\r\n -13 -2 -3 17146.3 1511.79 6\r\n -13 2 3 14881.7 2006.15 6\r\n 13 2 -3 14938.9 1053.81 5\r\n 13 -2 2 6342.06 808.658 7\r\n -13 -2 -2 6685.15 871.152 2\r\n -13 2 2 5752.39 878.237 4\r\n 13 2 -2 5618.26 1046.67 7\r\n 13 -2 2 5258.02 1095.54 4\r\n -13 2 2 4433.25 1043.50 2\r\n 13 -2 2 6121.20 1024.95 2\r\n -13 2 2 5722.62 1248.27 6\r\n 13 2 -2 5772.86 566.241 5\r\n 13 2 -2 7204.01 1410.98 4\r\n -13 2 1 13836.5 1424.45 4\r\n 13 -2 1 13418.4 1597.03 4\r\n -13 -2 -1 14516.0 1713.53 4\r\n -13 2 1 14262.5 1581.72 2\r\n 13 2 -1 14493.5 1769.72 4\r\n 13 -2 1 14357.4 1587.28 2\r\n -13 -2 -1 12980.7 1362.37 2\r\n 13 2 -1 17000.5 1875.72 2\r\n -13 2 1 13002.1 1734.68 6\r\n -13 2 0 26165.6 2087.12 4\r\n 13 -2 0 28225.1 2000.77 4\r\n -13 -2 0 30724.3 2323.98 4\r\n 13 -2 0 32515.6 1393.81 7\r\n 13 -2 0 28050.4 2223.61 2\r\n -13 -2 0 25813.6 2057.31 2\r\n 13 2 0 27031.0 2182.28 2\r\n -13 2 0 25790.0 2301.92 6\r\n 13 2 0 29645.3 1684.03 5\r\n -13 2 -1 13882.0 1665.62 4\r\n 13 -2 -1 13025.5 1344.96 4\r\n -13 -2 1 12660.1 1559.46 4\r\n 13 -2 -1 12616.7 1136.11 7\r\n 13 -2 -1 13930.7 1692.17 2\r\n -13 -2 1 12175.1 1579.88 2\r\n -13 2 -1 11351.1 1571.98 6\r\n 13 2 1 13977.4 1475.95 2\r\n 13 2 1 13045.3 1614.97 4\r\n 13 2 1 12863.6 1374.70 5\r\n 13 2 2 4326.03 993.169 5\r\n -13 2 -2 5175.22 1374.16 3\r\n -13 -2 2 6590.14 1300.66 2\r\n 13 -2 -2 6551.73 965.621 4\r\n 13 -2 -2 6158.58 1009.47 7\r\n 13 2 2 7555.97 984.375 2\r\n 13 2 2 6348.56 1266.74 4\r\n -13 2 -2 5958.33 1217.40 6\r\n -13 2 -3 13847.3 2316.60 3\r\n 13 2 3 13914.3 1801.66 4\r\n 13 -2 -3 13491.5 1718.11 7\r\n 13 -2 -3 13792.4 1474.79 4\r\n -13 -2 3 15102.2 2112.13 2\r\n -13 2 -3 15016.1 1784.40 6\r\n 13 -2 -3 15421.9 1734.58 5\r\n 13 -2 -4 10328.8 1625.02 5\r\n -13 -2 4 8881.31 1721.42 2\r\n -13 2 -4 11862.8 2361.83 3\r\n 13 2 4 13088.2 1867.30 4\r\n 13 -2 -4 10996.6 1804.33 7\r\n -13 2 -4 8620.23 1562.45 6\r\n 13 -2 -5 2281.58 1133.72 5\r\n -13 -2 5 3343.81 1408.43 2\r\n -13 2 -5 1055.70 1574.56 3\r\n 13 -2 -5 6770.95 1464.61 7\r\n 13 2 5 3055.48 1217.25 4\r\n 13 -2 -6 826.240 986.659 5\r\n -13 -2 6-2310.93 1419.67 2\r\n 13 -2 -6-1040.10 1058.24 7\r\n 13 2 6 365.250 1062.43 4\r\n 13 3 -6 5411.67 1577.33 7\r\n 13 -3 6 2896.11 1436.80 4\r\n -13 -3 -5-441.889 1519.99 3\r\n 13 3 -5 408.981 855.579 7\r\n 13 -3 5 635.259 1189.70 4\r\n -13 3 5 1618.76 699.257 6\r\n -13 -3 -4 4749.35 1849.56 3\r\n 13 -3 4 5459.47 1045.88 7\r\n 13 -3 4 3575.65 1248.77 4\r\n 13 3 -4 5952.24 1482.05 7\r\n -13 -3 -4 5503.18 627.791 6\r\n -13 3 4 5021.81 1297.39 6\r\n -13 -3 -3 5217.69 1679.09 3\r\n 13 -3 3 4455.86 766.780 7\r\n -13 3 3 4159.73 672.960 4\r\n 13 -3 3 4745.06 1272.36 4\r\n 13 3 -3 5008.58 1192.57 7\r\n -13 3 3 4270.77 881.173 7\r\n -13 -3 -3 4398.79 565.695 2\r\n -13 3 3 5089.53 1237.20 6\r\n -13 -3 -2 2082.14 587.297 2\r\n -13 3 2 1897.79 565.434 4\r\n 13 -3 2 2536.39 456.790 7\r\n 13 -3 2 2742.93 922.540 4\r\n 13 3 -2 1953.04 879.408 7\r\n -13 3 2 1840.13 568.788 7\r\n 13 -3 2 2613.44 744.080 2\r\n -13 3 2 1689.96 975.562 6\r\n -13 3 1 37765.5 2360.19 4\r\n 13 -3 1 36901.7 2612.35 4\r\n 13 3 -1 43172.1 3194.78 4\r\n -13 3 1 38297.5 3032.23 6\r\n 13 3 -1 40061.8 1268.78 5\r\n -13 -3 -1 39016.4 2421.65 2\r\n -13 3 0 24087.0 2109.29 4\r\n 13 -3 0 26308.2 1988.88 4\r\n 13 -3 0 25812.0 867.978 7\r\n 13 3 0 25147.4 2416.19 4\r\n -13 -3 0 27321.8 2236.45 2\r\n -13 3 0 25990.4 2518.79 6\r\n 13 3 0 26932.2 1577.28 5\r\n -13 3 -1 40200.6 2917.92 4\r\n 13 -3 -1 40532.5 2228.15 4\r\n 13 3 1 40109.4 2834.95 4\r\n 13 -3 -1 38454.1 1717.76 7\r\n -13 -3 1 35932.2 2828.95 2\r\n -13 3 -1 39948.6 3060.22 6\r\n 13 3 1 42210.6 2442.56 5\r\n 13 3 2 2652.28 755.884 5\r\n -13 3 -2 2755.45 1127.09 3\r\n -13 -3 2 1451.02 914.102 2\r\n 13 -3 -2 2034.16 616.774 7\r\n -13 3 -2 2361.65 853.791 6\r\n 13 3 2 2709.21 955.339 4\r\n 13 -3 -2 1742.34 564.404 4\r\n 13 -3 -3 4838.45 1128.31 5\r\n -13 3 -3 3819.29 1565.58 3\r\n -13 -3 3 5053.65 1345.26 2\r\n 13 -3 -3 6383.63 916.811 4\r\n 13 -3 -3 5248.58 1125.54 7\r\n -13 3 -3 3764.26 1083.49 6\r\n 13 3 3 4966.07 1202.83 4\r\n 13 -3 -4 3523.66 1124.28 5\r\n -13 -3 4 4745.87 1418.55 2\r\n -13 3 -4 4478.77 1766.70 3\r\n 13 -3 -4 4080.19 1247.58 7\r\n -13 3 -4 3465.41 1143.86 6\r\n 13 3 4 4088.17 1347.99 4\r\n 13 -3 -5 673.661 857.639 5\r\n -13 -3 5 964.653 557.976 2\r\n -13 3 -5 2370.95 1250.42 3\r\n 13 -3 -5 1423.89 642.167 7\r\n 13 3 5 93.3610 653.962 4\r\n 13 -3 -6 1737.07 1105.33 5\r\n -13 -3 6 4614.93 1269.61 2\r\n 13 -3 -6 2040.64 867.304 7\r\n 13 3 6 1542.76 1215.31 4\r\n -13 -4 -5 3916.26 1784.13 3\r\n 13 4 -5 4024.74 1418.53 7\r\n 13 -4 5 3231.74 1405.80 4\r\n -13 4 5 3517.00 975.998 6\r\n -13 -4 -4 5089.64 1811.56 3\r\n 13 -4 4 7005.65 1742.35 4\r\n 13 4 -4 5995.06 1544.75 7\r\n -13 4 4 7822.36 1548.04 6\r\n -13 -4 -4 5665.94 1421.94 5\r\n -13 -4 -3-129.309 1035.00 3\r\n 13 -4 3-912.205 923.100 4\r\n 13 -4 3 287.439 306.388 7\r\n 13 4 -3-454.405 1124.19 7\r\n -13 4 3 583.462 470.179 7\r\n -13 4 3-3.91294 654.060 6\r\n -13 -4 -3 349.578 313.723 2\r\n 13 -4 2 11178.4 1669.31 4\r\n -13 4 2 10270.3 1038.06 7\r\n -13 -4 -2 9298.09 1170.89 2\r\n 13 4 -2 11463.7 1764.34 7\r\n -13 4 2 10694.1 1746.59 6\r\n 13 -4 1 10919.2 1549.77 4\r\n -13 -4 -1 9470.29 1439.30 2\r\n -13 4 1 8774.57 1689.14 6\r\n 13 4 -1 10045.6 1797.26 4\r\n 13 4 0 1760.62 449.091 5\r\n -13 -4 0 2018.39 852.615 2\r\n 13 -4 0 2905.99 824.206 4\r\n -13 4 0 2353.10 1144.79 6\r\n 13 4 0 1605.94 1033.59 4\r\n -13 4 -1 9264.48 1637.36 3\r\n 13 -4 -1 10089.5 1177.16 4\r\n -13 -4 1 8701.72 1608.59 2\r\n 13 4 1 10618.9 1641.14 4\r\n -13 4 -1 9979.61 1772.29 6\r\n 13 4 1 10890.0 1269.99 5\r\n 13 4 2 10103.3 1457.83 5\r\n -13 4 -2 10658.6 1936.53 3\r\n 13 -4 -2 9676.19 1056.53 4\r\n -13 -4 2 10271.7 1909.68 2\r\n -13 4 -2 9681.74 1689.55 6\r\n 13 4 2 10325.1 1657.10 4\r\n 13 -4 -3-241.604 821.435 5\r\n -13 4 -3-359.979 728.218 3\r\n -13 -4 3-803.188 962.835 2\r\n -13 4 -3 833.567 576.024 6\r\n 13 4 3-370.381 907.472 4\r\n 13 -4 -4 3147.99 974.783 5\r\n -13 4 -4 6346.64 1881.20 3\r\n -13 -4 4 4380.36 1388.38 2\r\n -13 4 -4 5146.88 1454.59 6\r\n 13 4 4 3632.44 1250.13 4\r\n 13 -4 -5 4182.62 1461.68 5\r\n -13 -4 5 4966.73 1618.41 2\r\n 13 4 5 4278.72 1373.59 4\r\n 13 -5 5 723.010 1230.96 4\r\n 13 5 -5 1178.07 1258.21 7\r\n -13 5 5 2934.48 1040.52 6\r\n -13 -5 -5 4275.55 1336.94 5\r\n -13 -5 -4 475.410 1243.29 3\r\n 13 -5 4 293.787 1109.37 4\r\n 13 5 -4-382.332 1081.45 7\r\n -13 5 4-443.022 810.965 6\r\n -13 -5 -4-684.752 894.024 5\r\n -13 -5 -3 1998.64 620.970 2\r\n -13 -5 -3 3530.08 1312.88 3\r\n 13 -5 3 1951.64 1005.59 4\r\n 13 5 -3 810.274 885.315 7\r\n -13 5 3 2348.53 1189.15 6\r\n -13 -5 -3 1597.95 829.058 5\r\n -13 -5 -2-192.512 587.805 2\r\n 13 -5 2 1185.56 837.591 4\r\n -13 5 2-851.449 400.976 7\r\n 13 5 -2 102.772 752.148 7\r\n -13 5 2-1457.57 896.929 6\r\n -13 -5 -2 892.815 568.392 5\r\n -13 -5 -1 1663.75 816.214 2\r\n 13 -5 1 1630.93 830.273 4\r\n -13 5 1 1736.82 1191.64 6\r\n -13 5 0 3168.94 1046.51 3\r\n 13 5 0 4315.68 582.059 5\r\n -13 -5 0 2921.41 1115.74 2\r\n 13 -5 0 4510.51 998.632 4\r\n -13 5 0 1331.40 769.698 6\r\n 13 5 0 2996.70 1330.85 4\r\n -13 5 -1 1549.89 899.951 3\r\n 13 5 1 2172.16 674.523 5\r\n -13 -5 1 3940.49 1290.50 2\r\n 13 -5 -1 2731.61 617.331 4\r\n -13 5 -1 2727.24 1148.29 6\r\n 13 5 1 1082.18 814.237 4\r\n 13 5 2-433.763 656.092 5\r\n -13 5 -2 121.396 966.566 3\r\n -13 -5 2-233.180 1157.76 2\r\n -13 5 -2-1507.26 1165.77 6\r\n 13 -5 -2 300.210 284.835 4\r\n 13 5 2 594.925 832.962 4\r\n 13 -5 -3 1295.43 795.994 5\r\n -13 5 -3 2416.13 998.366 3\r\n -13 -5 3 77.0698 794.939 2\r\n -13 5 -3 1832.60 1080.24 6\r\n 13 5 3 1780.16 1018.98 4\r\n 13 -5 -4-834.613 934.197 5\r\n -13 5 -4 2102.81 1256.77 3\r\n -13 -5 4 203.056 901.095 2\r\n 13 5 4-203.925 789.056 4\r\n 13 -5 -5 176.538 748.086 5\r\n -13 -5 5 3384.96 1344.57 2\r\n 13 5 5 2057.08 1172.89 4\r\n -13 -6 -4 1490.28 1421.19 3\r\n 13 -6 4-83.5886 986.183 4\r\n 13 6 -4 1832.01 1228.64 7\r\n -13 6 4 1927.53 1002.98 6\r\n -13 -6 -4 2151.00 955.568 5\r\n -13 -6 -3 4738.72 1476.82 3\r\n 13 -6 3 4563.25 1414.57 4\r\n 13 6 -3 2463.99 1510.86 7\r\n -13 6 3 2996.93 1302.58 6\r\n -13 -6 -3 2290.49 1088.69 5\r\n -13 -6 -2 545.136 811.759 3\r\n -13 -6 -2 1150.80 767.805 2\r\n 13 -6 2 626.729 1021.08 4\r\n 13 6 -2 833.405 993.264 7\r\n -13 6 2 859.559 957.434 6\r\n -13 -6 -2 1183.45 627.177 5\r\n -13 -6 -1 1072.56 816.610 2\r\n 13 -6 1-226.436 824.883 4\r\n -13 6 1 1288.87 895.951 6\r\n -13 6 1 709.268 578.531 3\r\n -13 6 0 303.426 750.936 3\r\n -13 -6 0 2802.55 904.913 2\r\n 13 -6 0 495.293 632.203 4\r\n -13 6 0 2169.92 885.722 6\r\n -13 6 -1 2263.10 1051.79 3\r\n -13 -6 1 1099.38 697.132 2\r\n 13 -6 -1 239.691 402.371 4\r\n -13 6 -1 523.136 740.254 6\r\n 13 6 1 1119.79 1182.36 4\r\n -13 -6 2 2094.19 1000.29 2\r\n 13 -6 -2 859.747 721.065 5\r\n -13 6 -2 1575.55 757.412 3\r\n -13 6 -2 393.631 1128.64 6\r\n 13 6 2 282.475 934.954 4\r\n 13 -6 -3 2279.33 1380.99 5\r\n -13 6 -3 468.417 1262.25 3\r\n -13 -6 3 3088.52 1476.44 2\r\n -13 6 -3 2678.35 1161.60 6\r\n 13 6 3 2538.27 1280.95 4\r\n 13 -6 -4 2195.08 823.674 5\r\n -13 -6 4 3297.81 1646.03 2\r\n 13 6 4 2314.12 1186.92 4\r\n 13 -7 3 844.376 784.365 4\r\n 13 7 -3-164.331 802.673 7\r\n -13 7 3 96.0119 698.522 6\r\n -13 -7 -3-416.615 514.624 5\r\n -13 -7 -2 2730.55 749.317 2\r\n 13 -7 2 2998.53 1060.16 4\r\n 13 7 -2 1064.40 962.226 7\r\n -13 7 2 717.766 1185.31 6\r\n -13 -7 -2 1033.52 567.041 5\r\n -13 -7 -1 1903.70 852.092 2\r\n 13 -7 1 2270.70 1008.93 4\r\n -13 7 1 2572.02 1258.58 6\r\n 13 7 -1 1410.54 605.972 1\r\n -13 -7 -1 1373.62 686.974 5\r\n -13 -7 0 689.133 1003.94 2\r\n 13 -7 0 1085.72 719.703 4\r\n -13 7 0 2494.58 1120.76 6\r\n -13 7 -1 2909.03 1127.42 3\r\n -13 -7 1 2637.72 946.466 2\r\n -13 7 -1 2878.63 1052.00 6\r\n 13 -7 -2 899.353 904.553 5\r\n -13 -7 2 246.353 1083.12 2\r\n -13 7 -2 733.983 1039.75 3\r\n -13 7 -2 2432.81 1249.36 6\r\n 13 7 2 1420.93 1138.53 4\r\n 13 -7 -3 907.479 608.859 5\r\n 13 7 3-118.804 1267.03 4\r\n 13 -8 2-750.994 1060.39 4\r\n 13 8 -2-142.832 654.582 7\r\n 13 -8 1 1069.59 977.568 4\r\n -13 -8 -1-683.379 616.231 2\r\n -13 8 1 85.6373 922.895 6\r\n -13 -8 0 1045.29 879.711 2\r\n 13 8 0-668.747 985.508 1\r\n -13 8 0 1617.12 910.313 6\r\n 13 8 1 892.504 782.371 1\r\n -13 8 -1-943.132 930.511 6\r\n -13 -8 1 40.6170 1310.45 2\r\n 13 -8 -2 247.290 795.962 5\r\n 13 8 2 346.006 785.983 1\r\n -13 -8 2-367.986 1042.63 2\r\n -14 0 0 11974.8 1449.31 4\r\n 14 0 0 10631.4 1428.31 4\r\n -14 0 0 11393.2 1370.66 2\r\n 14 0 0 9871.22 1364.87 2\r\n 14 0 1 1190.15 623.339 2\r\n 14 0 -1 1247.25 712.616 2\r\n -14 0 -1 58.0128 453.123 4\r\n 14 0 -1 685.734 526.562 7\r\n -14 0 1 1014.06 551.400 4\r\n 14 0 1 1807.87 857.556 4\r\n -14 0 -1 402.436 505.458 2\r\n 14 0 -1 966.395 603.619 4\r\n -14 0 -1 1200.12 638.593 6\r\n -14 0 1 716.606 579.620 2\r\n 14 0 2 6525.73 992.948 2\r\n 14 0 -2 6436.17 1088.42 7\r\n 14 0 2 7346.86 1356.35 4\r\n -14 0 2 6477.27 1094.17 4\r\n -14 0 -2 6576.24 1219.57 6\r\n 14 0 -2 7381.86 1224.17 4\r\n -14 0 2 8240.65 1408.13 2\r\n 14 0 2 5335.50 1060.70 5\r\n 14 0 3 592.442 540.309 2\r\n -14 0 -3 1592.03 1233.43 3\r\n 14 0 -3 1085.80 572.686 5\r\n 14 0 -3 1026.39 786.866 7\r\n 14 0 3 911.716 927.143 4\r\n -14 0 3 1439.62 621.226 4\r\n -14 0 -3 1178.05 695.523 6\r\n 14 0 -3 809.978 565.097 1\r\n -14 0 3 771.359 655.689 2\r\n 14 0 -4 287.160 500.946 5\r\n 14 0 4-278.500 331.671 2\r\n -14 0 -4 811.595 1398.66 3\r\n 14 0 -4-1026.21 479.858 1\r\n 14 0 -4 61.4412 746.433 7\r\n 14 0 4-418.190 963.997 4\r\n -14 0 -4-450.903 515.511 6\r\n -14 0 4 1041.05 579.584 4\r\n -14 0 4 322.300 661.032 2\r\n 14 0 -5 194.459 597.401 5\r\n 14 0 -5 1797.58 1044.80 7\r\n 14 0 5 2253.39 994.660 4\r\n -14 0 5 968.086 613.580 2\r\n 14 0 -6 532.033 633.610 5\r\n -14 0 -6-731.750 2006.82 3\r\n 14 0 -6 868.430 973.001 7\r\n 14 0 6-381.135 1185.31 4\r\n -14 0 6 1176.01 693.040 2\r\n 14 1 -6 2963.81 1236.02 7\r\n 14 -1 6 3191.32 1040.87 4\r\n -14 1 6 862.925 791.792 2\r\n 14 1 -5 2009.61 567.307 5\r\n -14 -1 -5 1607.18 1761.43 3\r\n 14 1 -5 1768.96 1030.44 7\r\n 14 -1 5 652.052 1154.77 4\r\n -14 1 5 1188.22 882.402 2\r\n 14 1 -4 2489.10 713.667 5\r\n -14 -1 -4 2144.48 1304.39 3\r\n 14 1 -4 3462.26 684.140 1\r\n 14 -1 4 1292.26 1086.66 4\r\n -14 1 4 1748.43 693.660 4\r\n -14 -1 -4 1766.30 623.322 6\r\n 14 1 -4 3359.96 1319.78 7\r\n -14 1 4 1364.80 770.896 2\r\n 14 -1 4 3003.87 773.941 2\r\n -14 -1 -3 11012.8 2293.87 3\r\n 14 -1 3 15329.8 1934.51 4\r\n -14 1 3 13253.6 1464.55 4\r\n 14 -1 3 12737.8 1412.60 7\r\n 14 1 -3 14329.3 1886.52 7\r\n -14 1 3 12612.4 1821.12 2\r\n 14 1 -3 14609.9 1405.31 1\r\n 14 -1 3 13095.4 1418.43 2\r\n -14 -1 -3 13642.3 1483.41 6\r\n 14 1 -3 13765.3 1280.96 5\r\n 14 1 -2 5711.30 1126.51 7\r\n 14 -1 2 5090.04 1174.43 4\r\n -14 1 2 4974.01 955.065 4\r\n -14 -1 -2 3789.62 736.436 2\r\n -14 1 2 3095.16 1052.37 2\r\n -14 -1 -2 3859.16 928.155 6\r\n 14 1 -2 3685.48 1126.04 4\r\n 14 -1 2 4638.55 916.381 2\r\n 14 -1 1 261.301 657.508 2\r\n 14 1 -1-350.183 620.944 2\r\n -14 -1 -1 608.397 559.210 4\r\n 14 1 -1 1008.43 647.778 7\r\n -14 1 1 311.074 512.199 4\r\n 14 -1 1 560.064 510.616 4\r\n -14 1 1 588.509 763.102 2\r\n 14 1 -1 1539.83 728.266 4\r\n -14 -1 -1 830.370 525.810 2\r\n -14 1 0 8607.24 1224.28 4\r\n -14 -1 0 10238.5 1404.46 4\r\n 14 -1 0 8770.18 1234.18 4\r\n -14 1 0 8582.72 1256.89 2\r\n 14 1 0 9458.72 1394.85 2\r\n 14 -1 0 7387.30 893.523 7\r\n -14 -1 0 11001.2 1378.51 2\r\n 14 -1 0 9424.06 1376.43 2\r\n 14 1 0 8747.11 1343.49 4\r\n -14 1 0 9692.92 1483.92 6\r\n -14 -1 1 190.159 578.756 2\r\n 14 -1 -1 1240.91 738.881 2\r\n 14 1 1 758.578 480.169 2\r\n -14 1 -1 39.0641 329.124 4\r\n 14 -1 -1 420.786 440.612 7\r\n -14 -1 1 1174.73 546.050 4\r\n 14 1 1 776.743 725.256 4\r\n 14 -1 -1 1137.59 709.196 4\r\n -14 1 -1 53.8308 625.379 6\r\n 14 1 1 716.291 570.945 5\r\n 14 1 2 3787.00 928.429 5\r\n -14 -1 2 4793.63 1152.79 2\r\n -14 1 -2 5083.63 1403.75 3\r\n 14 -1 -2 4236.54 917.450 1\r\n 14 1 2 5795.79 900.910 2\r\n 14 -1 -2 4048.17 963.840 7\r\n 14 1 2 5040.51 1134.73 4\r\n -14 -1 2 4821.73 1034.79 4\r\n -14 1 -2 5026.43 1212.56 6\r\n 14 -1 -2 5529.91 986.091 4\r\n -14 1 -3 12161.7 2221.99 3\r\n 14 1 3 12746.8 1759.43 4\r\n 14 -1 -3 12547.5 1705.81 7\r\n 14 -1 -3 11991.0 1578.72 4\r\n -14 -1 3 11606.2 1774.88 2\r\n 14 1 3 14519.0 1273.97 2\r\n -14 1 -3 12368.4 1642.24 6\r\n 14 -1 -3 13567.6 1538.71 5\r\n -14 -1 4 2152.71 1111.33 2\r\n 14 -1 -4 2120.75 918.358 5\r\n -14 1 -4 3278.25 1546.42 3\r\n 14 -1 -4 2911.65 1111.97 7\r\n 14 1 4 2018.47 1045.96 4\r\n 14 1 4 2973.48 405.158 2\r\n -14 1 -4 1827.70 766.512 6\r\n -14 -1 5 529.287 759.255 2\r\n 14 -1 -5 1401.15 836.034 5\r\n -14 1 -5 449.573 1859.84 3\r\n 14 -1 -5 1149.26 830.448 7\r\n 14 1 5 292.033 1006.51 4\r\n -14 -1 6-214.726 857.536 2\r\n 14 -1 -6 724.914 940.535 5\r\n 14 -1 -6 423.018 1311.74 7\r\n 14 1 6 1781.57 1039.14 4\r\n -14 -2 -6 8.68645 2054.13 3\r\n 14 2 -6 950.636 1034.04 7\r\n -14 2 6 2483.49 905.769 2\r\n -14 2 6 1856.53 1100.36 6\r\n -14 -2 -5 5447.82 1906.49 3\r\n 14 2 -5 5426.91 1701.87 7\r\n 14 -2 5 3357.54 1248.04 4\r\n -14 2 5 3145.84 1058.19 2\r\n -14 2 5 2887.91 1026.16 6\r\n 14 2 -4 1062.48 479.753 5\r\n -14 -2 -4 2961.39 1519.20 3\r\n 14 -2 4-273.201 683.608 7\r\n 14 2 -4 1234.16 947.012 7\r\n 14 -2 4 1416.94 1167.07 4\r\n 14 2 -4 2182.82 468.906 1\r\n -14 2 4 1880.87 457.028 4\r\n -14 -2 -4 594.743 408.754 6\r\n -14 2 4 604.110 796.096 2\r\n 14 -2 4 502.533 554.267 2\r\n 14 2 -3 815.241 320.664 5\r\n -14 -2 -3 1042.13 1308.01 3\r\n 14 -2 3 1273.45 679.227 7\r\n 14 2 -3 1292.08 916.879 7\r\n 14 -2 3 1343.25 908.221 4\r\n -14 2 3 1370.20 656.151 7\r\n -14 2 3 1767.89 597.614 4\r\n -14 2 3 1055.47 823.312 2\r\n 14 -2 3 1043.51 646.636 2\r\n -14 -2 -3 1482.58 617.301 6\r\n -14 2 3 233.224 875.158 6\r\n -14 2 2 7519.63 1079.30 4\r\n 14 -2 2 7740.27 908.687 7\r\n -14 -2 -2 8430.63 1052.20 2\r\n 14 2 -2 9874.48 1442.16 7\r\n 14 -2 2 8815.76 1504.09 4\r\n -14 2 2 7713.39 1402.32 2\r\n 14 -2 2 7612.37 1202.35 2\r\n -14 2 2 8802.00 1563.25 6\r\n 14 2 -2 8944.10 1580.02 4\r\n 14 2 -2 7861.10 708.669 5\r\n -14 -2 -1 2374.39 725.288 2\r\n -14 2 1 1040.44 678.225 2\r\n -14 2 1 1353.57 614.050 4\r\n 14 -2 1 3215.17 917.346 4\r\n -14 2 1 1431.90 750.445 6\r\n 14 2 -1 1519.34 777.837 4\r\n 14 -2 1 2270.40 709.525 2\r\n 14 2 0-325.591 301.948 5\r\n -14 -2 0-882.953 560.248 2\r\n -14 2 0 112.402 494.502 4\r\n 14 -2 0-589.612 387.657 7\r\n 14 2 0-602.673 644.997 2\r\n 14 -2 0-128.230 492.909 4\r\n -14 2 0 15.7672 567.078 6\r\n 14 2 0-243.907 885.554 4\r\n 14 -2 0-1276.41 599.505 2\r\n 14 2 1 1237.36 536.268 5\r\n -14 -2 1 1780.60 804.883 2\r\n -14 2 -1 1656.03 650.082 4\r\n 14 -2 -1 1788.93 548.785 7\r\n 14 2 1 2076.90 739.616 2\r\n 14 -2 -1 1562.88 651.749 4\r\n 14 2 1 1733.90 913.429 4\r\n -14 2 -1 684.071 600.193 6\r\n 14 2 2 8021.63 1347.14 5\r\n -14 2 -2 11121.0 2037.80 3\r\n -14 -2 2 8751.25 1574.05 2\r\n 14 -2 -2 7875.59 1132.88 4\r\n 14 -2 -2 8207.46 1207.78 7\r\n 14 2 2 9220.30 1155.71 2\r\n 14 2 2 8977.20 1483.11 4\r\n -14 2 -2 5915.88 1311.13 6\r\n -14 -2 3 1979.99 1152.55 2\r\n -14 2 -3 1088.15 1023.52 3\r\n 14 -2 -3 1549.19 802.309 5\r\n 14 -2 -3 1838.00 836.873 7\r\n 14 2 3 1771.33 957.514 4\r\n -14 2 -3 122.758 491.204 6\r\n 14 -2 -3 1139.75 608.074 4\r\n -14 -2 4 772.822 810.683 2\r\n 14 -2 -4 924.293 856.828 5\r\n -14 2 -4 929.289 1193.45 3\r\n 14 -2 -4 1094.30 818.976 7\r\n 14 2 4 150.709 957.007 4\r\n -14 2 -4 759.817 719.935 6\r\n -14 -2 5 5337.23 1255.50 2\r\n 14 -2 -5 2518.59 1033.58 5\r\n -14 2 -5 1978.85 1791.53 3\r\n 14 -2 -5 3972.99 1413.13 7\r\n 14 2 5 3903.94 1274.13 4\r\n -14 -2 6 4172.70 1523.65 2\r\n 14 -2 -6 5564.12 1299.19 5\r\n 14 -2 -6 2694.14 1076.25 7\r\n 14 2 6 3745.48 1227.13 4\r\n 14 3 -6-313.477 785.651 7\r\n 14 -3 6 341.354 1211.58 4\r\n -14 3 6-863.131 913.297 6\r\n -14 -3 -5 3093.99 1734.30 3\r\n 14 3 -5 2632.03 1170.15 7\r\n 14 -3 5 1422.94 1289.83 4\r\n -14 3 5 3496.52 1054.69 6\r\n -14 -3 -4 975.346 1310.85 3\r\n 14 3 -4 3083.36 1296.03 7\r\n 14 -3 4 3303.38 1332.18 4\r\n -14 3 4 2784.07 1189.36 6\r\n -14 -3 -3 1044.67 1143.67 3\r\n 14 -3 3 224.287 393.434 7\r\n -14 3 3 1179.24 500.091 4\r\n 14 -3 3 2271.87 899.583 4\r\n 14 3 -3 897.118 839.706 7\r\n -14 3 3 1216.25 633.293 7\r\n -14 -3 -3 1172.51 353.027 2\r\n -14 3 3 1535.82 792.850 6\r\n -14 -3 -2 6809.67 1001.40 2\r\n 14 -3 2 5986.21 637.049 7\r\n -14 3 2 5820.22 983.799 4\r\n 14 -3 2 7142.04 1385.53 4\r\n 14 3 -2 6345.72 1272.90 7\r\n -14 3 2 5290.88 1342.75 6\r\n 14 3 -2 6651.70 1632.85 4\r\n -14 3 1 21615.0 1888.71 4\r\n 14 -3 1 20497.7 2080.11 4\r\n 14 -3 1 23096.5 755.912 7\r\n 14 -3 1 22010.4 684.987 7\r\n 14 3 -1 25213.5 2676.50 4\r\n -14 -3 -1 27737.2 2128.42 2\r\n -14 3 1 21631.2 2398.90 6\r\n 14 3 -1 25022.3 1131.87 5\r\n 14 3 0 97.5800 323.911 5\r\n -14 -3 0 297.796 657.836 2\r\n -14 3 0 960.913 642.088 4\r\n 14 -3 0 243.705 181.383 7\r\n 14 -3 0 391.438 489.205 4\r\n 14 3 0-70.0858 644.242 4\r\n 14 -3 -1 23752.4 1824.84 4\r\n 14 3 1 22340.0 2271.18 4\r\n 14 -3 -1 25406.8 1475.47 7\r\n -14 -3 1 22624.3 2319.01 2\r\n -14 3 -1 26585.6 2600.02 6\r\n 14 3 1 22346.3 1870.53 5\r\n 14 3 2 7356.07 1283.83 5\r\n -14 3 -2 8180.14 1811.03 3\r\n -14 -3 2 6656.12 1508.74 2\r\n 14 -3 -2 6388.42 1052.17 7\r\n -14 3 -2 7341.42 1529.21 6\r\n 14 3 2 6577.44 1361.00 4\r\n 14 -3 -2 6942.32 1017.54 4\r\n 14 -3 -3 1196.73 721.738 5\r\n -14 3 -3 730.596 1029.76 3\r\n -14 -3 3-514.339 935.057 2\r\n 14 -3 -3 334.850 699.329 7\r\n -14 3 -3-145.154 837.545 6\r\n 14 3 3 1081.97 726.290 4\r\n 14 -3 -3 699.235 475.886 4\r\n 14 -3 -4 4038.07 1136.00 5\r\n -14 -3 4 5716.14 1320.69 2\r\n -14 3 -4 4203.59 1668.08 3\r\n 14 -3 -4 2687.65 1077.53 7\r\n -14 3 -4 2668.87 1103.50 6\r\n 14 3 4 3705.14 1278.71 4\r\n 14 -3 -5 3446.81 1321.59 5\r\n -14 -3 5 2773.26 1541.47 2\r\n -14 3 -5 1384.32 1722.87 3\r\n 14 -3 -5 5822.97 1277.95 7\r\n 14 3 5 2022.05 1137.40 4\r\n 14 -3 -6 669.265 573.317 5\r\n 14 -3 -6-1814.30 1273.00 7\r\n 14 3 6 154.833 1051.91 4\r\n -14 -4 -5 532.921 1590.90 3\r\n 14 4 -5 116.859 1129.69 7\r\n 14 -4 5 1862.31 1344.06 4\r\n -14 4 5 345.133 927.729 6\r\n -14 -4 -4 119.279 1362.92 3\r\n 14 -4 4-2280.65 1401.55 4\r\n 14 4 -4 706.892 827.929 7\r\n -14 4 4 1282.42 831.035 6\r\n -14 -4 -3-177.614 1271.90 3\r\n 14 -4 3 636.073 821.218 4\r\n 14 4 -3-522.169 1154.37 7\r\n -14 4 3-179.902 629.292 7\r\n -14 4 3-299.563 773.081 6\r\n -14 -4 -3-579.338 331.439 2\r\n -14 -4 -2 3394.90 816.976 2\r\n 14 -4 2 3514.63 1156.01 4\r\n 14 4 -2 3298.33 1172.38 7\r\n -14 4 2 3747.84 1122.05 6\r\n -14 -4 -1 6045.17 1196.20 2\r\n 14 -4 1 7312.59 1373.91 4\r\n -14 4 1 7140.19 1569.99 6\r\n 14 4 -1 8250.30 1701.95 4\r\n 14 -4 0 11066.0 1477.02 4\r\n -14 -4 0 10595.8 1630.21 2\r\n 14 4 0 14536.6 2076.61 4\r\n -14 4 0 10147.9 1853.85 6\r\n 14 4 0 11377.4 1019.57 5\r\n -14 4 -1 6750.99 1562.26 3\r\n 14 4 1 7789.82 1156.21 5\r\n -14 -4 1 7418.10 1515.82 2\r\n 14 -4 -1 7627.28 1125.76 4\r\n -14 4 -1 7617.18 1679.20 6\r\n 14 4 1 4425.55 1350.55 4\r\n 14 4 2 3076.90 1032.10 5\r\n -14 4 -2 1156.56 1255.88 3\r\n -14 -4 2 3345.35 1336.00 2\r\n -14 4 -2 5749.16 1436.41 6\r\n 14 -4 -2 3814.46 800.086 4\r\n 14 4 2 3818.24 1119.76 4\r\n 14 -4 -3 82.2724 736.834 5\r\n -14 4 -3 1199.64 1021.20 3\r\n -14 -4 3 825.741 1232.92 2\r\n 14 -4 -3-17.5578 452.340 7\r\n -14 4 -3 306.113 631.573 6\r\n 14 4 3-51.6448 896.663 4\r\n 14 -4 -3 1.33275 355.461 4\r\n 14 -4 -4-1982.65 1262.99 5\r\n -14 4 -4-2153.45 1891.98 3\r\n -14 -4 4-2372.96 1226.54 2\r\n 14 -4 -4-2487.33 883.884 7\r\n -14 4 -4 13.3212 507.008 6\r\n 14 4 4-533.009 847.978 4\r\n 14 -4 -5 923.201 1031.59 5\r\n -14 -4 5-1168.46 878.523 2\r\n 14 4 5-152.952 1283.54 4\r\n -14 -5 -5 2800.50 1720.24 3\r\n 14 -5 5 35.6238 1144.20 4\r\n 14 5 -5-164.749 985.226 7\r\n -14 5 5-1166.85 1102.79 6\r\n -14 -5 -4 2374.25 1224.82 3\r\n 14 -5 4 2957.15 1338.97 4\r\n 14 5 -4 4713.65 1511.45 7\r\n -14 5 4 4920.06 1494.77 6\r\n -14 -5 -4 3725.29 1359.87 5\r\n -14 -5 -3 4646.74 1749.06 3\r\n 14 -5 3 6591.40 1617.11 4\r\n 14 5 -3 7528.80 1656.87 7\r\n -14 5 3 6504.13 1577.35 6\r\n -14 -5 -2 1753.10 748.687 2\r\n 14 -5 2 1707.35 1030.41 4\r\n 14 5 -2 2443.98 1159.20 7\r\n -14 5 2 3378.31 1234.13 6\r\n -14 -5 -1 3286.13 955.045 2\r\n 14 -5 1 2174.80 889.091 4\r\n -14 5 1 1836.27 973.428 6\r\n 14 5 0 1147.04 387.383 5\r\n -14 -5 0 1505.88 872.272 2\r\n 14 -5 0 1703.70 758.315 4\r\n -14 5 0 2524.29 1232.57 6\r\n 14 5 0-488.146 1055.38 4\r\n -14 5 0 660.557 802.910 3\r\n -14 5 -1 2374.27 934.811 3\r\n 14 5 1 2327.40 684.183 5\r\n -14 -5 1 1554.89 1022.72 2\r\n 14 -5 -1 2177.10 709.185 4\r\n -14 5 -1 2572.64 1033.29 6\r\n 14 5 1 2579.24 1186.76 4\r\n -14 5 -2 2402.07 1160.04 3\r\n -14 -5 2 215.978 1033.15 2\r\n -14 5 -2 1062.18 869.710 6\r\n 14 -5 -2 1403.08 546.031 4\r\n 14 5 2 1935.56 1025.38 4\r\n 14 -5 -3 6474.59 1494.10 5\r\n -14 5 -3 5311.46 1751.70 3\r\n -14 -5 3 6119.86 1847.27 2\r\n -14 5 -3 4145.55 1458.17 6\r\n 14 5 3 5318.46 1522.24 4\r\n 14 -5 -4 4193.85 1179.95 5\r\n -14 5 -4 541.719 782.633 3\r\n -14 -5 4 4172.32 1345.53 2\r\n 14 5 4 5534.67 1459.75 4\r\n 14 -5 -5 433.779 804.872 5\r\n -14 -5 5 524.167 844.405 2\r\n 14 5 5 1780.01 876.934 4\r\n -14 -6 -4 1137.30 1494.28 3\r\n 14 -6 4 4142.24 1617.73 4\r\n 14 6 -4 2522.60 1309.52 7\r\n -14 6 4 1070.84 1010.27 6\r\n -14 -6 -4 3762.18 1070.52 5\r\n -14 -6 -3 1121.44 1225.63 3\r\n 14 -6 3-2212.97 1335.21 4\r\n 14 6 -3-169.775 939.498 7\r\n -14 6 3-1990.82 1076.40 6\r\n -14 -6 -3-572.041 706.231 5\r\n -14 -6 -2 4111.63 1429.48 3\r\n -14 -6 -2 3722.44 1064.08 2\r\n 14 -6 2 4426.74 1236.18 4\r\n 14 6 -2 3518.29 1382.46 7\r\n -14 6 2 4476.23 1362.32 6\r\n -14 -6 -1 2398.67 952.419 2\r\n 14 -6 1 1624.64 929.551 4\r\n -14 6 1 2401.79 1134.46 6\r\n -14 6 0 3393.26 1022.77 3\r\n -14 -6 0 1440.34 1011.85 2\r\n 14 -6 0 1809.86 729.433 4\r\n -14 6 0 1514.40 1241.04 6\r\n -14 6 -1 1278.14 904.792 3\r\n -14 -6 1 1210.39 1072.50 2\r\n 14 -6 -1 1847.73 557.696 4\r\n -14 6 -1 2113.13 989.419 6\r\n 14 6 1 2195.36 1331.07 4\r\n -14 6 -2 6161.16 1659.90 3\r\n -14 -6 2 3656.16 1378.34 2\r\n -14 6 -2 3724.55 1465.08 6\r\n 14 6 2 3875.58 1479.48 4\r\n 14 -6 -3 130.883 1034.61 5\r\n -14 6 -3-1598.11 1272.19 3\r\n -14 -6 3-587.284 1388.23 2\r\n -14 6 -3-1489.93 941.697 6\r\n 14 6 3-145.092 894.453 4\r\n 14 -6 -4 6288.93 1471.25 5\r\n -14 -6 4 4215.94 1739.08 2\r\n 14 6 4 4648.52 1391.28 4\r\n 14 -7 3 4670.86 1720.96 4\r\n 14 7 -3 3175.50 1392.91 7\r\n -14 7 3 2731.29 1097.59 6\r\n -14 -7 -3 2288.02 1054.21 5\r\n -14 -7 -2 1646.92 995.759 2\r\n 14 -7 2 2554.58 1216.36 4\r\n 14 7 -2 2618.74 1222.64 7\r\n -14 7 2 4655.64 1387.74 6\r\n -14 -7 -2 29.7831 653.233 5\r\n -14 -7 -1 1026.06 1061.84 2\r\n 14 -7 1 2002.17 903.921 4\r\n -14 7 1-598.746 1390.07 6\r\n -14 -7 0-1358.87 1020.62 2\r\n 14 -7 0-140.704 733.669 4\r\n -14 7 0 33.8520 306.480 6\r\n -14 7 -1 1117.60 1241.59 3\r\n -14 -7 1 2137.63 883.235 2\r\n 14 -7 -2 1182.43 1129.13 5\r\n -14 7 -2 117.345 600.582 3\r\n -14 -7 2 3301.03 1129.62 2\r\n -14 7 -2-1542.02 1209.96 6\r\n 14 7 2 150.830 1439.89 4\r\n 14 -7 -3 3381.64 1651.14 5\r\n -14 -7 3 3494.82 1826.15 2\r\n 14 7 3 1569.28 1575.16 4\r\n 14 -8 1 280.414 952.143 4\r\n -14 8 1-1345.63 1161.77 6\r\n -14 -8 0 324.293 557.629 2\r\n 14 8 0 665.256 684.281 1\r\n -14 8 0-553.908 920.333 6\r\n -14 -8 1 1444.42 1246.16 2\r\n -14 8 -1 2158.44 953.081 6\r\n 14 8 1 1016.35 815.817 1\r\n 15 0 0 683.740 442.284 2\r\n -15 0 0-1372.72 731.489 4\r\n 15 0 0 75.1635 685.693 4\r\n -15 0 0 754.712 592.148 2\r\n -15 0 1 19145.8 1878.32 4\r\n 15 0 1 21083.2 2046.59 4\r\n 15 0 -1 21877.3 2039.54 4\r\n -15 0 -1 22666.7 1850.66 2\r\n 15 0 -1 19311.9 1720.93 7\r\n -15 0 1 19337.7 2051.20 2\r\n 15 0 1 21120.0 1929.34 2\r\n -15 0 -1 19548.6 2079.54 6\r\n 15 0 2 6031.86 1003.13 2\r\n 15 0 -2 6137.57 1131.75 7\r\n 15 0 2 7044.06 1338.06 4\r\n -15 0 2 5443.24 1042.34 4\r\n -15 0 -2 6245.33 1217.32 6\r\n 15 0 -2 4895.55 1089.51 4\r\n -15 0 2 4245.54 1102.12 2\r\n -15 0 -3 24341.1 3157.34 3\r\n 15 0 3 23008.6 2504.76 4\r\n -15 0 3 21600.2 2005.20 4\r\n 15 0 -3 23449.3 1981.40 1\r\n 15 0 -3 25506.9 2415.23 7\r\n 15 0 -3 18401.5 2253.65 4\r\n -15 0 3 23670.6 2517.02 2\r\n 15 0 3 23865.7 1831.16 2\r\n -15 0 -3 25176.8 2164.35 6\r\n 15 0 -3 24973.5 1907.11 5\r\n 15 0 -4-15.1589 615.321 5\r\n -15 0 -4-2165.80 1378.29 3\r\n 15 0 -4 131.030 743.189 7\r\n 15 0 -4-205.220 638.924 1\r\n 15 0 4 1714.88 1056.57 4\r\n -15 0 -4-218.007 699.231 6\r\n -15 0 4-332.161 703.608 2\r\n 15 0 -5 938.105 651.139 5\r\n -15 0 -5 620.434 762.553 3\r\n 15 0 -5-19.4202 851.880 7\r\n 15 0 5 939.483 972.756 4\r\n -15 0 5 829.043 695.260 2\r\n 15 0 -6 2719.69 963.603 5\r\n -15 0 -6 804.059 1749.45 3\r\n 15 0 -6 1870.31 1159.49 7\r\n 15 0 6 2544.14 1431.42 4\r\n -15 0 6 4354.12 1184.86 2\r\n -15 -1 -6-353.327 1839.82 3\r\n 15 1 -6 260.425 990.909 7\r\n 15 -1 6 2844.50 1438.14 4\r\n -15 1 6 1414.36 1097.21 2\r\n 15 1 -5 1403.17 649.215 5\r\n -15 -1 -5 647.770 1671.40 3\r\n 15 1 -5 531.392 764.801 7\r\n 15 -1 5 366.322 1079.44 4\r\n -15 1 5-1414.63 1080.29 2\r\n 15 1 -4 3243.40 846.698 5\r\n -15 -1 -4 3726.08 1801.24 3\r\n 15 1 -4 4156.72 1248.16 7\r\n 15 -1 4 3461.56 1344.05 4\r\n -15 1 4 3073.04 761.910 4\r\n -15 -1 -4 3628.80 844.702 6\r\n 15 1 -4 2474.50 801.225 1\r\n -15 1 4 2462.37 1051.98 2\r\n 15 -1 4 3515.37 856.428 2\r\n -15 -1 -3-15.4748 1309.32 3\r\n 15 1 -3 319.128 348.071 5\r\n 15 1 -3 691.971 306.823 1\r\n 15 -1 3-103.937 498.962 7\r\n 15 1 -3 478.285 917.529 7\r\n 15 -1 3-394.087 997.260 4\r\n -15 1 3 129.728 337.418 4\r\n -15 -1 -3 9.44861 541.686 6\r\n -15 1 3-895.031 817.846 2\r\n 15 -1 3-239.751 501.924 2\r\n -15 -1 -2 8583.14 1089.77 2\r\n 15 -1 2 9799.49 1332.36 2\r\n 15 1 -2 8798.86 1378.09 7\r\n -15 1 2 7509.07 1178.38 4\r\n 15 -1 2 9063.15 1522.34 4\r\n -15 -1 -2 10162.4 1447.83 6\r\n -15 1 2 7900.63 1382.85 2\r\n 15 1 -2 9138.14 1562.94 4\r\n -15 1 1 22734.0 1958.91 4\r\n 15 -1 1 23523.2 2124.19 4\r\n 15 1 -1 17851.9 1968.05 4\r\n -15 1 1 19601.0 1965.18 2\r\n -15 -1 -1 22087.4 1849.03 2\r\n 15 1 -1 18675.9 1862.66 7\r\n 15 -1 1 22572.5 2010.67 2\r\n -15 1 0 21090.2 1980.51 4\r\n 15 -1 0 15725.7 1736.30 4\r\n 15 1 0 18595.5 1954.10 4\r\n -15 1 0 18371.0 1811.55 2\r\n 15 -1 0 15182.9 1314.40 7\r\n -15 -1 0 18877.1 1866.01 2\r\n 15 -1 0 18992.7 1926.41 2\r\n 15 1 0 21224.4 2050.94 2\r\n -15 1 0 16610.2 1996.34 6\r\n 15 1 1 21720.6 2151.71 4\r\n 15 -1 -1 18820.3 1814.36 4\r\n 15 -1 -1 18645.7 1527.73 7\r\n -15 -1 1 20242.0 2080.61 2\r\n 15 1 1 19730.4 1902.67 2\r\n -15 1 -1 17626.5 2039.71 6\r\n 15 1 1 16496.8 1616.95 5\r\n -15 -1 2 7728.90 1483.15 2\r\n 15 1 2 10398.1 1572.25 4\r\n 15 -1 -2 9852.72 1341.77 4\r\n 15 -1 -2 8090.25 1230.90 7\r\n 15 1 2 10032.6 1256.67 2\r\n -15 1 -2 9396.77 1484.07 6\r\n -15 1 -2 8555.94 1791.85 3\r\n -15 -1 3-1131.90 918.069 2\r\n -15 1 -3-335.166 559.400 3\r\n 15 -1 -3-205.385 611.117 5\r\n 15 1 3-249.742 504.151 2\r\n 15 -1 -3 347.321 877.141 7\r\n 15 1 3-510.134 849.800 4\r\n -15 1 -3-205.920 622.203 6\r\n 15 -1 -3 745.164 626.465 4\r\n -15 -1 4 3466.29 1228.06 2\r\n 15 -1 -4 3949.71 1133.18 5\r\n -15 1 -4 5398.03 1847.49 3\r\n 15 -1 -4 3702.08 1360.63 7\r\n 15 1 4 3541.94 1317.67 4\r\n -15 1 -4 3815.83 997.414 6\r\n -15 -1 5 51.6728 307.186 2\r\n 15 -1 -5 1302.70 822.099 5\r\n -15 1 -5 2290.74 1508.07 3\r\n 15 -1 -5 425.162 836.289 7\r\n -15 1 -5 79.1608 591.589 6\r\n 15 1 5 772.814 893.072 4\r\n -15 -1 6-735.767 1477.92 2\r\n 15 -1 -6-584.746 838.063 5\r\n 15 -1 -6 1010.69 1099.16 7\r\n 15 1 6-19.1902 1239.19 4\r\n -15 -2 -6-1661.94 1902.30 3\r\n 15 2 -6-2410.10 1599.73 7\r\n 15 -2 6 596.495 1213.90 4\r\n -15 2 6-776.047 618.493 2\r\n -15 2 6-960.396 1066.37 6\r\n -15 -2 -5 403.049 2052.84 3\r\n 15 2 -5 1381.61 1189.08 7\r\n 15 -2 5 1578.38 1297.60 4\r\n -15 2 5 2421.64 1034.63 2\r\n -15 2 5-52.9005 594.740 6\r\n -15 -2 -4 13856.7 2734.07 3\r\n 15 -2 4 16096.8 2352.12 4\r\n -15 2 4 10813.4 1310.64 4\r\n -15 2 4 17904.8 2189.20 2\r\n 15 -2 4 13089.3 1667.44 2\r\n 15 2 -4 10852.2 2107.43 7\r\n -15 -2 -4 13810.1 1357.89 6\r\n -15 2 4 13443.7 2115.06 6\r\n 15 2 -4 13109.7 1194.57 5\r\n -15 -2 -3 10000.4 2242.96 3\r\n 15 -2 3 11886.3 1825.62 4\r\n -15 2 3 8822.16 1210.34 4\r\n 15 -2 3 8452.57 1171.38 7\r\n 15 2 -3 9795.83 1622.08 7\r\n -15 2 3 9591.37 1596.40 2\r\n -15 -2 -3 8467.53 1274.01 6\r\n 15 -2 3 8587.11 1311.50 2\r\n -15 2 3 8029.36 1584.28 6\r\n 15 2 -3 9038.27 846.205 5\r\n -15 2 2 16448.2 1657.16 4\r\n 15 -2 2 18020.3 2119.07 4\r\n 15 -2 2 15976.9 1282.00 7\r\n -15 2 2 16810.2 2025.73 2\r\n -15 -2 -2 15913.5 1444.31 2\r\n 15 2 -2 14531.6 2079.39 4\r\n 15 2 -2 14496.8 1804.40 7\r\n 15 -2 2 17356.1 1876.75 2\r\n -15 2 2 14247.8 2045.78 6\r\n 15 2 -2 15184.2 973.394 5\r\n -15 2 1-136.517 913.694 2\r\n -15 2 1-86.1550 565.027 4\r\n 15 -2 1 726.672 681.968 4\r\n -15 2 1 241.178 766.619 6\r\n 15 2 -1 205.770 892.772 4\r\n 15 -2 1 555.821 649.166 2\r\n -15 -2 -1 335.882 527.976 2\r\n -15 -2 0 9374.49 1422.13 2\r\n 15 -2 0 11382.8 1471.73 4\r\n 15 2 0 11796.7 1722.76 4\r\n 15 -2 0 11509.7 976.700 7\r\n -15 2 0 9890.13 1437.47 4\r\n 15 2 0 11741.1 1624.95 2\r\n -15 2 0 14199.5 1935.78 6\r\n 15 2 0 10791.0 1207.70 5\r\n 15 2 1 302.029 580.756 5\r\n -15 -2 1 686.827 689.676 2\r\n 15 -2 -1 161.170 389.129 7\r\n 15 2 1 276.893 587.766 2\r\n 15 -2 -1 8.95117 582.392 4\r\n 15 2 1-116.773 889.787 4\r\n -15 2 -1-464.528 881.288 6\r\n -15 2 -2 18594.5 2577.81 3\r\n 15 2 2 16220.9 2030.24 4\r\n 15 -2 -2 16294.4 1642.57 4\r\n 15 -2 -2 15360.8 1639.30 7\r\n -15 -2 2 15822.4 2108.63 2\r\n -15 2 -2 15999.6 2080.86 6\r\n 15 2 2 16895.2 1635.06 2\r\n 15 2 2 16539.2 1888.49 5\r\n -15 -2 3 9112.29 1828.13 2\r\n -15 2 -3 7538.23 1837.88 3\r\n 15 -2 -3 9416.93 1422.31 5\r\n 15 -2 -3 8152.54 1458.95 7\r\n 15 2 3 9588.72 1588.81 4\r\n -15 2 -3 10244.1 1625.23 6\r\n 15 -2 -3 9557.18 1319.90 4\r\n -15 -2 4 12624.6 2145.84 2\r\n -15 2 -4 15116.6 2963.01 3\r\n 15 -2 -4 13154.7 1986.48 7\r\n -15 2 -4 13578.4 1921.25 6\r\n 15 2 4 14874.2 2183.30 4\r\n 15 -2 -4 15298.9 1943.26 5\r\n -15 -2 5 3130.82 1072.28 2\r\n 15 -2 -5 501.756 740.110 5\r\n -15 2 -5 2853.69 1845.93 3\r\n 15 -2 -5 4044.21 1333.06 7\r\n 15 2 5 3552.23 1325.28 4\r\n -15 -2 6 778.453 716.435 2\r\n 15 -2 -6 2345.15 976.452 5\r\n 15 -2 -6-404.894 934.396 7\r\n 15 2 6 546.901 1278.58 4\r\n -15 -3 -5 993.132 1549.35 3\r\n 15 3 -5 990.023 1112.28 7\r\n 15 -3 5 3457.75 1696.09 4\r\n -15 3 5 1909.95 868.376 6\r\n -15 -3 -4 31.1271 1469.58 3\r\n 15 3 -4 27.0757 914.398 7\r\n 15 -3 4-945.590 870.431 4\r\n -15 3 4 1507.39 777.568 6\r\n -15 -3 -3 1956.87 1282.51 3\r\n 15 -3 3 491.169 461.319 7\r\n -15 3 3 5.45165 498.946 4\r\n 15 3 -3 1871.06 910.440 7\r\n 15 -3 3 786.373 887.758 4\r\n -15 3 3 902.267 616.133 7\r\n -15 -3 -3 829.200 302.574 2\r\n -15 3 3 608.006 707.181 6\r\n -15 -3 -3 1139.02 518.950 6\r\n 15 -3 2 4464.94 589.377 7\r\n -15 3 2 4372.14 947.401 4\r\n 15 3 -2 4810.63 1277.10 7\r\n 15 -3 2 4624.13 1202.17 4\r\n -15 3 2 4584.75 1318.72 6\r\n -15 -3 -2 4821.17 898.917 2\r\n 15 3 -2 3924.34 1335.09 4\r\n -15 3 1 18747.4 1855.64 4\r\n 15 -3 1 19528.3 2072.17 4\r\n 15 -3 1 18984.3 797.830 7\r\n 15 3 -1 16688.0 2319.69 4\r\n 15 -3 1 19433.7 748.425 7\r\n -15 -3 -1 20296.5 1870.05 2\r\n -15 3 1 19139.1 2423.10 6\r\n 15 3 -1 19795.0 1115.13 5\r\n -15 -3 0 8018.54 1352.62 2\r\n 15 -3 0 8926.90 660.241 7\r\n -15 3 0 9108.50 1440.76 4\r\n 15 -3 0 7639.23 1249.81 4\r\n -15 3 0 8641.86 1613.43 6\r\n 15 3 0 9865.62 1597.35 4\r\n 15 3 0 9207.00 1088.62 5\r\n 15 -3 -1 19205.0 1757.92 4\r\n 15 3 1 17767.4 2108.13 4\r\n 15 -3 -1 18377.4 1320.27 7\r\n -15 -3 1 20173.8 2276.32 2\r\n -15 3 -1 19915.4 2378.06 6\r\n 15 3 1 18506.1 1764.34 5\r\n 15 3 2 4727.59 1193.04 5\r\n -15 3 -2 4238.21 1258.20 3\r\n -15 -3 2 3279.56 1220.96 2\r\n 15 -3 -2 4201.30 841.917 7\r\n -15 3 -2 3573.46 1193.66 6\r\n 15 3 2 2717.26 1086.50 4\r\n 15 -3 -2 4488.25 840.664 4\r\n -15 3 -3 1469.72 1390.53 3\r\n 15 -3 -3 1026.65 650.060 5\r\n -15 -3 3 289.678 989.184 2\r\n 15 -3 -3-67.7814 776.807 7\r\n -15 3 -3 1983.89 992.296 6\r\n 15 3 3 634.846 702.836 4\r\n 15 -3 -3 893.374 521.484 4\r\n 15 -3 -4-223.709 631.592 5\r\n -15 -3 4 1023.94 882.320 2\r\n -15 3 -4 2284.93 1325.39 3\r\n 15 -3 -4 55.0873 727.020 7\r\n -15 3 -4-529.794 737.068 6\r\n 15 3 4 1035.56 874.893 4\r\n 15 -3 -5 267.984 742.627 5\r\n -15 -3 5 2798.93 1256.53 2\r\n 15 -3 -5 3002.38 1055.26 7\r\n 15 3 5 2607.59 1164.17 4\r\n -15 -4 -5 2456.91 1982.22 3\r\n 15 4 -5 3362.58 1560.66 7\r\n 15 -4 5 763.410 1398.89 4\r\n -15 4 5 3096.78 1053.81 6\r\n -15 -4 -4 2685.53 1559.25 3\r\n 15 4 -4 1370.76 1045.72 7\r\n 15 -4 4 3084.21 1364.05 4\r\n -15 4 4 2450.95 1079.35 6\r\n -15 -4 -3 2052.06 1203.66 3\r\n 15 -4 3 1750.92 974.837 4\r\n 15 4 -3 2654.63 1047.23 7\r\n -15 4 3 2680.10 1051.54 6\r\n -15 -4 -3 1856.75 525.047 2\r\n -15 4 2 15727.6 1609.08 4\r\n 15 -4 2 16253.4 2138.05 4\r\n -15 -4 -2 15451.3 1625.81 2\r\n 15 4 -2 14930.1 2162.95 7\r\n -15 4 2 14702.3 2255.24 6\r\n -15 4 1 12207.5 1600.78 4\r\n -15 -4 -1 14615.7 1751.73 2\r\n 15 -4 1 11256.1 1676.77 4\r\n -15 4 1 12230.6 1966.67 6\r\n 15 4 -1 11461.3 2139.17 4\r\n 15 -4 0 21028.7 2023.46 4\r\n 15 4 0 19215.1 2478.50 4\r\n -15 -4 0 21361.8 2315.23 2\r\n -15 4 0 21860.5 2632.06 6\r\n 15 4 0 18884.5 1381.14 5\r\n -15 4 -1 10747.0 1951.20 3\r\n 15 -4 -1 12210.2 1469.96 4\r\n -15 -4 1 15249.3 2072.09 2\r\n -15 4 -1 11871.2 2069.50 6\r\n 15 4 1 13342.1 2042.51 4\r\n 15 4 1 12520.0 1394.31 5\r\n -15 4 -2 18331.1 2650.30 3\r\n 15 -4 -2 16162.0 1421.24 7\r\n 15 -4 -2 16410.9 1478.29 4\r\n 15 4 2 15850.9 2135.07 4\r\n -15 -4 2 17554.3 2352.30 2\r\n -15 4 -2 14902.9 2261.94 6\r\n 15 -4 -3 2379.37 998.254 5\r\n -15 4 -3 2094.13 1321.76 3\r\n -15 -4 3 2019.64 1023.75 2\r\n 15 -4 -3 2056.95 672.978 7\r\n -15 4 -3 786.188 608.425 6\r\n 15 4 3 1212.13 932.144 4\r\n 15 -4 -3 2381.06 584.310 4\r\n 15 -4 -4 2916.29 1337.92 5\r\n -15 -4 4 3057.64 1500.23 2\r\n -15 4 -4 3373.35 1656.89 3\r\n 15 -4 -4 2056.03 946.834 7\r\n -15 4 -4 2465.30 1272.83 6\r\n 15 4 4 3536.79 1335.75 4\r\n 15 -4 -5 1620.86 1305.64 5\r\n -15 -4 5 1679.24 1193.85 2\r\n -15 4 -5 1486.38 1390.99 3\r\n 15 4 5 2746.81 1456.40 4\r\n -15 -5 -4 259.825 1723.26 3\r\n 15 -5 4 3434.82 1210.87 4\r\n 15 5 -4 3047.93 1181.60 7\r\n -15 5 4 733.963 1097.90 6\r\n -15 -5 -3 3681.01 1768.07 3\r\n 15 -5 3 3589.18 1423.66 4\r\n 15 5 -3 2288.41 1131.36 7\r\n -15 5 3 1389.83 1160.73 6\r\n -15 -5 -2 5595.37 1092.89 2\r\n 15 -5 2 7088.41 1659.06 4\r\n 15 5 -2 6817.30 1603.22 7\r\n -15 5 2 5183.86 1418.14 6\r\n -15 -5 -1 3247.46 1026.88 2\r\n 15 -5 1 4332.99 1164.25 4\r\n -15 5 1 2438.56 1174.85 6\r\n -15 -5 0 4201.96 1224.12 2\r\n 15 -5 0 5030.02 1136.70 4\r\n -15 5 0 4568.42 1487.99 6\r\n 15 5 0 5278.50 1464.86 4\r\n -15 5 0 4513.97 1411.47 3\r\n -15 5 -1 1628.38 1064.12 3\r\n 15 5 1 3114.12 818.702 5\r\n -15 -5 1 2893.54 1244.20 2\r\n 15 -5 -1 3011.71 745.673 4\r\n -15 5 -1 2819.27 1217.13 6\r\n 15 5 1 2883.47 1299.64 4\r\n -15 5 -2 7009.50 1823.08 3\r\n 15 -5 -2 8264.89 1048.88 4\r\n -15 -5 2 7970.82 1866.84 2\r\n -15 5 -2 11227.9 1928.92 6\r\n 15 5 2 4810.49 1478.02 4\r\n 15 -5 -3 1202.31 1000.23 5\r\n -15 5 -3 3545.32 1578.98 3\r\n -15 -5 3 2383.01 1048.54 2\r\n -15 5 -3 2623.69 1065.14 6\r\n 15 5 3 2493.85 1174.13 4\r\n 15 -5 -4 692.461 882.455 5\r\n -15 5 -4 199.841 885.932 3\r\n -15 -5 4 1430.28 1151.07 2\r\n -15 5 -4 202.150 1089.15 6\r\n 15 5 4 463.047 991.457 4\r\n 15 -6 4 241.936 1122.07 4\r\n 15 6 -4 951.282 966.192 7\r\n -15 6 4 1921.45 1188.40 6\r\n -15 -6 -3 4239.08 1554.58 3\r\n 15 -6 3 4727.86 1442.94 4\r\n 15 6 -3 2194.67 1323.40 7\r\n -15 6 3 2888.74 1337.73 6\r\n -15 -6 -2 1099.35 846.303 2\r\n 15 -6 2 781.243 1018.46 4\r\n 15 6 -2 1162.63 1000.27 7\r\n -15 6 2 1944.17 1037.77 6\r\n -15 -6 -2 2344.67 1250.81 3\r\n -15 -6 -1-928.989 804.859 2\r\n 15 -6 1 787.580 930.233 4\r\n -15 6 1-1641.24 1130.80 6\r\n -15 6 0 115.244 811.009 3\r\n -15 -6 0 570.758 762.059 2\r\n 15 -6 0-165.577 638.438 4\r\n -15 6 0-835.377 1091.24 6\r\n -15 6 -1 670.227 1050.33 3\r\n -15 -6 1 1083.88 1110.62 2\r\n 15 -6 -1 763.827 520.920 4\r\n -15 6 -1-2097.20 1012.02 6\r\n 15 6 1 4.92237 1225.62 4\r\n -15 6 -2-2301.22 1482.34 3\r\n -15 -6 2 997.856 1248.37 2\r\n -15 6 -2 131.778 1306.16 6\r\n 15 6 2 840.839 1008.08 4\r\n 15 -6 -3 2790.78 1193.15 5\r\n -15 6 -3 6664.32 2137.74 3\r\n -15 -6 3 2051.64 1323.93 2\r\n -15 6 -3 5226.73 1614.18 6\r\n 15 6 3 4799.25 1532.61 4\r\n 15 -6 -4 2348.56 1292.74 5\r\n -15 -6 4 2478.25 1073.53 2\r\n 15 6 4 2370.05 1368.69 4\r\n 15 -7 3 1137.39 790.682 4\r\n 15 7 -3-1888.15 1513.86 7\r\n -15 7 3-1802.45 1190.55 6\r\n 15 -7 2 452.878 972.039 4\r\n 15 7 -2-1204.55 1215.89 7\r\n -15 7 2 450.972 1073.95 6\r\n -15 -7 -1 2086.20 1010.77 2\r\n 15 -7 1 980.780 841.976 4\r\n -15 -7 0 1209.20 1304.62 2\r\n 15 -7 0 2085.89 967.916 4\r\n -15 7 0 3310.31 1455.59 6\r\n -15 7 -1 605.843 499.875 3\r\n -15 -7 1 1539.91 1064.61 2\r\n -15 7 -1 2753.89 1483.53 6\r\n 15 -7 -2 536.189 862.820 5\r\n -15 7 -2-1958.62 1555.75 3\r\n -15 -7 2 2350.62 1379.54 2\r\n -15 7 -2 1232.93 1182.69 6\r\n 15 7 2 2069.31 860.554 4\r\n 15 -7 -3-268.160 1349.63 5\r\n -15 -7 3 1652.85 991.356 2\r\n 15 7 3 2318.80 1142.85 4\r\n -15 -8 0 574.409 1180.84 2\r\n -15 8 0-618.253 594.286 6\r\n 15 8 0 1384.71 616.508 1\r\n 16 0 0 62973.1 3492.48 4\r\n -16 0 0 63198.9 3357.00 2\r\n 16 0 0 61094.3 3573.63 2\r\n 16 0 1 21026.1 2115.99 4\r\n -16 0 -1 21776.6 1942.33 2\r\n 16 0 -1 22355.4 2117.04 4\r\n 16 0 -1 21622.0 1859.46 7\r\n -16 0 1 18914.4 2064.89 2\r\n 16 0 1 20372.3 2013.36 2\r\n -16 0 -1 19877.0 2220.18 6\r\n 16 0 2 1723.25 722.443 2\r\n 16 0 -2 1740.88 790.624 7\r\n 16 0 2 1182.16 792.593 4\r\n -16 0 -2 2367.66 883.100 6\r\n 16 0 -2 1640.06 763.609 4\r\n -16 0 2 1879.21 970.444 2\r\n -16 0 -3 2547.20 1274.71 3\r\n 16 0 -3 1360.35 630.601 5\r\n 16 0 3 1839.82 652.471 2\r\n 16 0 -3 837.391 725.211 7\r\n 16 0 3 1481.88 1037.90 4\r\n -16 0 -3 2711.51 882.429 6\r\n -16 0 3 2211.71 1018.11 2\r\n 16 0 -3 2606.74 1084.82 4\r\n 16 0 -4 5645.96 1106.29 5\r\n -16 0 -4 3844.83 1826.88 3\r\n 16 0 -4 5242.96 1386.77 7\r\n 16 0 4 3550.73 1405.03 4\r\n -16 0 -4 4410.42 1020.47 6\r\n -16 0 4 3988.64 1278.13 2\r\n 16 0 -5 255.587 461.302 5\r\n -16 0 -5-2399.49 1514.19 3\r\n 16 0 -5-1333.01 1245.95 7\r\n 16 0 5 193.665 707.818 4\r\n -16 0 5 1833.42 749.975 2\r\n -16 0 -6-2552.33 2101.15 3\r\n 16 0 -6 1066.62 840.202 7\r\n 16 0 6-572.058 1383.37 4\r\n -16 0 6 1274.71 900.018 2\r\n -16 -1 -6-2862.45 2155.84 3\r\n 16 1 -6 3177.13 1761.82 7\r\n 16 -1 6 1083.23 1153.12 4\r\n -16 1 6-515.988 558.590 2\r\n -16 -1 -5 286.211 1680.51 3\r\n 16 1 -5-1377.13 1036.93 7\r\n 16 -1 5 2818.34 1296.54 4\r\n -16 1 5 796.001 833.999 2\r\n -16 -1 -4 10546.9 2523.69 3\r\n 16 -1 4 16136.3 2245.19 4\r\n -16 1 4 12886.0 1683.93 4\r\n 16 1 -4 15453.0 2229.36 7\r\n -16 1 4 15088.6 2227.12 2\r\n -16 -1 -4 14645.3 1623.94 6\r\n 16 1 -4 13017.5 1533.59 5\r\n -16 -1 -3 22625.4 3245.02 3\r\n 16 -1 3 23190.5 2583.18 4\r\n -16 1 3 21276.8 1980.44 4\r\n 16 -1 3 18361.7 1716.15 7\r\n 16 1 -3 20934.7 2369.16 7\r\n -16 1 3 22921.3 2498.81 2\r\n 16 1 -3 22908.0 1912.23 1\r\n 16 -1 3 22476.1 2000.16 2\r\n -16 -1 -3 21313.0 2036.67 6\r\n 16 1 -3 22427.1 1645.18 5\r\n -16 1 2 9057.24 1314.20 4\r\n -16 -1 -2 9004.15 1186.95 2\r\n 16 -1 2 12018.3 1618.76 2\r\n 16 1 -2 10403.8 1511.06 7\r\n 16 -1 2 9023.25 1513.12 4\r\n -16 1 2 8953.58 1560.16 2\r\n -16 -1 -2 8427.18 1366.30 6\r\n 16 1 -2 9342.52 1638.14 4\r\n -16 1 1 13835.4 1618.72 4\r\n 16 -1 1 12676.6 1717.09 4\r\n -16 1 1 10630.2 1581.37 2\r\n -16 -1 -1 11498.1 1461.74 2\r\n 16 1 -1 11684.5 1589.43 7\r\n 16 -1 1 11592.2 1587.97 2\r\n 16 1 -1 10027.7 1620.45 4\r\n 16 1 0 606.293 659.143 2\r\n 16 -1 0 6.50120 561.440 7\r\n -16 1 0 836.796 751.571 2\r\n 16 -1 0 1279.10 774.749 4\r\n 16 1 0 44.2381 865.654 4\r\n -16 1 0 412.033 749.153 6\r\n -16 -1 0 21.7773 644.867 2\r\n 16 1 1 13029.7 1790.59 4\r\n 16 -1 -1 12079.5 1573.39 4\r\n 16 -1 -1 10585.9 1224.16 7\r\n -16 -1 1 12673.2 1747.29 2\r\n 16 1 1 12756.6 1598.93 2\r\n -16 1 -1 11049.7 1716.92 6\r\n 16 1 1 11560.7 1357.57 5\r\n -16 -1 2 9729.23 1768.53 2\r\n 16 -1 -2 10113.5 1446.95 4\r\n 16 -1 -2 7948.29 1317.96 7\r\n 16 1 2 9280.42 1318.34 2\r\n -16 1 -2 11399.5 1631.85 6\r\n 16 1 2 7483.95 1436.23 4\r\n -16 1 -2 11647.6 2064.89 3\r\n -16 1 -3 20626.8 3071.29 3\r\n 16 1 3 24267.1 2529.18 4\r\n 16 -1 -3 21746.3 2262.82 7\r\n 16 -1 -3 26718.9 2428.56 4\r\n -16 -1 3 19578.6 2424.16 2\r\n 16 1 3 23798.9 1779.73 2\r\n -16 1 -3 20484.5 2236.36 6\r\n 16 -1 -3 23820.8 2072.96 5\r\n -16 -1 4 14479.5 2269.57 2\r\n -16 1 -4 16343.1 3020.51 3\r\n 16 1 4 16406.9 2304.16 4\r\n 16 -1 -4 15772.8 2256.44 7\r\n -16 1 -4 14279.9 1904.94 6\r\n 16 -1 -4 12797.5 1707.58 5\r\n -16 -1 5 378.972 722.816 2\r\n 16 -1 -5 261.429 884.682 5\r\n -16 1 -5 1513.01 948.717 3\r\n 16 -1 -5 167.564 1174.91 7\r\n 16 1 5 2045.82 976.678 4\r\n -16 1 -5 338.383 425.998 6\r\n 16 -1 -6 544.222 935.567 5\r\n -16 1 -6 1077.90 2093.42 3\r\n 16 -1 -6 311.537 1184.43 7\r\n 16 1 6 1148.06 1342.03 4\r\n -16 -1 6-1831.91 827.471 2\r\n -16 -2 -5 222.453 1292.68 3\r\n 16 2 -5-1494.63 1341.13 7\r\n 16 -2 5 213.035 1130.19 4\r\n -16 2 5 429.096 758.512 2\r\n -16 2 5-168.770 833.590 6\r\n -16 -2 -4 429.285 1250.69 3\r\n 16 2 -4 392.645 877.314 7\r\n 16 -2 4-8.89014 1076.07 4\r\n -16 -2 -4 707.563 468.643 6\r\n -16 2 4-724.644 716.939 2\r\n -16 2 4 80.4375 320.028 6\r\n -16 -2 -3 3723.53 1641.77 3\r\n 16 2 -3 3978.25 684.374 5\r\n 16 -2 3 5638.22 949.254 7\r\n 16 2 -3 3628.76 1159.50 7\r\n -16 2 3 2959.06 767.420 4\r\n 16 -2 3 4291.11 1405.13 4\r\n -16 2 3 3854.53 1303.64 2\r\n -16 -2 -3 4539.68 1076.58 6\r\n -16 2 3 3502.51 1337.13 6\r\n 16 -2 3 3367.82 1099.24 2\r\n -16 2 2 28231.1 2209.91 4\r\n 16 -2 2 28745.7 2688.22 4\r\n -16 2 2 25916.7 2527.31 2\r\n -16 -2 -2 30007.6 2036.99 2\r\n 16 2 -2 27197.6 2832.01 4\r\n 16 2 -2 32218.6 2647.14 7\r\n -16 2 2 25423.1 2787.86 6\r\n 16 2 -2 27598.0 1399.40 5\r\n -16 2 1 57021.0 3213.19 4\r\n 16 -2 1 60864.4 3542.46 4\r\n -16 2 1 59433.0 3532.23 2\r\n 16 2 -1 62372.4 3856.62 4\r\n 16 2 -1 55707.7 3412.26 7\r\n -16 -2 -1 62271.9 3209.90 2\r\n -16 2 1 53933.9 3808.37 6\r\n 16 -2 0 18699.3 1916.35 4\r\n 16 2 0 19009.5 2154.93 4\r\n 16 -2 0 22315.6 1389.77 7\r\n -16 -2 0 19583.3 2041.97 2\r\n -16 2 0 21407.3 2474.11 6\r\n 16 2 0 17120.5 1531.85 5\r\n 16 -2 -1 61521.9 3207.66 4\r\n 16 2 1 60546.0 3633.50 4\r\n 16 -2 -1 62166.3 2667.35 7\r\n -16 -2 1 60186.8 3657.19 2\r\n 16 2 1 64325.1 3499.68 2\r\n -16 2 -1 59525.3 3858.52 6\r\n 16 2 1 62600.5 3191.07 5\r\n -16 2 -2 30836.6 3325.35 3\r\n 16 2 2 28370.1 2681.77 4\r\n 16 -2 -2 27074.0 2153.70 4\r\n 16 -2 -2 24527.7 2054.75 7\r\n -16 -2 2 28383.1 2751.57 2\r\n -16 2 -2 27174.6 2708.69 6\r\n 16 2 2 26003.6 2115.03 2\r\n -16 -2 3 5871.90 1522.40 2\r\n -16 2 -3 3377.32 1363.75 3\r\n 16 -2 -3 4642.69 1049.66 5\r\n 16 -2 -3 3308.87 1043.27 7\r\n 16 2 3 3670.00 1262.30 4\r\n -16 2 -3 5096.36 1226.68 6\r\n 16 -2 -3 3183.44 945.997 4\r\n -16 -2 4-1814.25 1147.82 2\r\n 16 -2 -4-1686.23 887.908 5\r\n -16 2 -4-105.021 1331.44 3\r\n 16 -2 -4 743.560 741.793 7\r\n 16 2 4 983.344 1061.00 4\r\n -16 2 -4-281.462 681.879 6\r\n -16 -2 5 1725.80 1244.19 2\r\n 16 -2 -5 512.988 944.951 5\r\n -16 2 -5-2390.54 1716.86 3\r\n 16 -2 -5 362.209 1131.64 7\r\n -16 2 -5 44.6484 613.158 6\r\n 16 2 5-172.816 1134.33 4\r\n -16 -3 -5 4404.09 2160.89 3\r\n 16 3 -5 6615.04 1712.08 7\r\n 16 -3 5 7756.47 1973.88 4\r\n -16 3 5 6112.59 1760.12 6\r\n -16 -3 -4 3989.79 1879.55 3\r\n 16 3 -4 3032.92 1209.43 7\r\n 16 -3 4 3813.90 1297.42 4\r\n -16 3 4 2997.11 1090.78 6\r\n -16 -3 -3 1334.34 1190.95 3\r\n -16 3 3 3013.63 646.232 4\r\n 16 3 -3 2965.31 1165.56 7\r\n 16 -3 3 2938.21 1099.91 4\r\n -16 -3 -3 1537.44 482.604 2\r\n -16 3 3 1791.79 918.233 6\r\n -16 -3 -3 859.994 611.964 6\r\n -16 3 2 21529.5 2002.03 4\r\n 16 -3 2 26100.4 2664.87 4\r\n 16 -3 2 24147.3 1321.46 7\r\n 16 3 -2 25822.6 2602.76 7\r\n 16 3 -2 28790.2 3059.39 4\r\n -16 -3 -2 24989.0 1967.19 2\r\n -16 3 2 23249.2 2736.15 6\r\n -16 -3 -1 8480.06 1345.61 2\r\n 16 -3 1 7740.14 576.732 7\r\n 16 -3 1 8545.67 572.639 7\r\n -16 3 1 9454.71 1367.94 4\r\n 16 -3 1 8184.86 1505.76 4\r\n -16 3 1 7102.05 1712.14 6\r\n 16 3 -1 8849.48 829.976 5\r\n 16 3 -1 8159.00 1636.09 4\r\n 16 3 0 2686.87 635.287 5\r\n -16 -3 0 2761.14 956.729 2\r\n 16 -3 0 2763.67 455.964 7\r\n 16 -3 0 2304.26 830.428 4\r\n -16 3 0 2850.30 1163.67 6\r\n 16 3 0 2430.81 1082.33 4\r\n 16 3 1 7917.12 1271.52 5\r\n -16 -3 1 8538.94 1579.91 2\r\n 16 -3 -1 8079.88 943.437 7\r\n 16 -3 -1 8112.33 1243.97 4\r\n -16 3 -1 9801.91 1800.35 6\r\n 16 3 1 8515.42 1600.03 4\r\n -16 3 -2 23365.1 3106.31 3\r\n 16 3 2 26430.5 2661.61 4\r\n 16 -3 -2 26042.9 2013.35 4\r\n 16 -3 -2 24189.9 1977.98 7\r\n -16 -3 2 24917.7 2748.53 2\r\n -16 3 -2 24500.8 2733.80 6\r\n -16 3 -3 1645.51 1101.24 3\r\n -16 -3 3 1458.16 982.169 2\r\n 16 -3 -3 1350.45 834.683 5\r\n 16 -3 -3 2027.17 824.550 7\r\n -16 3 -3 1051.67 714.510 6\r\n 16 3 3 1326.89 948.879 4\r\n 16 -3 -3 2199.49 750.802 4\r\n 16 -3 -4 2963.49 1159.24 5\r\n -16 -3 4 2090.68 1157.01 2\r\n -16 3 -4 1010.28 1201.93 3\r\n 16 -3 -4 2453.75 986.437 7\r\n -16 3 -4 1988.24 913.455 6\r\n 16 3 4 1995.63 1005.74 4\r\n 16 -3 -5 6054.66 1634.09 5\r\n -16 -3 5 5189.64 1753.59 2\r\n -16 3 -5 5863.13 2238.77 3\r\n 16 -3 -5 6657.21 1623.71 7\r\n 16 3 5 3334.70 1397.24 4\r\n -16 -4 -5-5321.99 2421.77 3\r\n 16 4 -5-3417.71 1650.96 7\r\n 16 -4 5 1003.14 968.984 4\r\n -16 4 5 499.713 895.407 6\r\n -16 -4 -4 1986.14 1785.35 3\r\n 16 4 -4 4966.57 1251.67 7\r\n 16 -4 4 2406.62 1356.72 4\r\n -16 4 4 341.833 665.025 6\r\n -16 -4 -3 1963.35 1265.46 3\r\n 16 4 -3-779.899 824.743 7\r\n 16 -4 3 528.398 866.351 4\r\n -16 4 3 1301.45 953.897 6\r\n -16 -4 -3 827.356 515.833 2\r\n -16 -4 -2 6051.75 1073.64 2\r\n -16 4 2 5279.21 1086.34 4\r\n 16 -4 2 9316.53 1716.86 4\r\n 16 4 -2 5400.53 1471.92 7\r\n -16 4 2 6201.58 1478.74 6\r\n -16 -4 -1 9963.61 1540.70 2\r\n -16 4 1 10277.7 1545.39 4\r\n 16 -4 1 9259.13 1545.87 4\r\n -16 4 1 8623.67 1808.14 6\r\n 16 4 -1 6953.96 2056.21 4\r\n 16 -4 0 28275.4 2331.41 4\r\n 16 4 0 25821.6 2744.21 4\r\n -16 -4 0 25918.4 2550.53 2\r\n -16 4 0 26233.8 2921.11 6\r\n 16 4 0 26450.2 1658.60 5\r\n -16 4 -1 6065.24 1923.42 3\r\n 16 4 1 7941.29 1262.70 5\r\n -16 -4 1 10015.9 1856.69 2\r\n 16 -4 -1 9568.23 1398.10 4\r\n -16 4 -1 12514.2 2085.25 6\r\n 16 4 1 9647.78 1879.19 4\r\n -16 4 -2 7005.79 1791.19 3\r\n -16 -4 2 7349.35 1662.95 2\r\n 16 -4 -2 6623.24 949.745 7\r\n -16 4 -2 6007.08 1547.35 6\r\n 16 -4 -2 6059.91 1035.88 4\r\n 16 4 2 6029.11 1525.30 4\r\n 16 -4 -3 575.618 647.141 5\r\n -16 4 -3 178.863 1144.16 3\r\n -16 -4 3 1092.77 934.348 2\r\n 16 -4 -3 171.788 522.006 7\r\n -16 4 -3-464.660 614.922 6\r\n 16 4 3-82.1467 1058.89 4\r\n 16 -4 -3 757.840 504.639 4\r\n 16 -4 -4 1532.84 754.243 5\r\n -16 -4 4 931.708 844.259 2\r\n -16 4 -4 810.907 1330.68 3\r\n 16 -4 -4 1954.68 873.356 7\r\n -16 4 -4 1692.98 1129.59 6\r\n 16 4 4 2078.56 942.060 4\r\n 16 -4 -5 1707.14 1125.44 5\r\n -16 -4 5 1896.61 979.921 2\r\n 16 -4 -5 1860.08 987.740 7\r\n 16 4 5 1935.91 1240.83 4\r\n -16 -5 -4 6481.52 2057.90 3\r\n 16 -5 4 5179.22 1587.49 4\r\n 16 5 -4 7041.36 1711.82 7\r\n -16 5 4 6816.51 1862.15 6\r\n -16 -5 -3 5963.67 1931.45 3\r\n 16 -5 3 5052.38 1623.43 4\r\n 16 5 -3 3302.50 1384.99 7\r\n -16 5 3 5582.86 1634.14 6\r\n -16 -5 -2-868.550 640.225 2\r\n 16 -5 2-553.423 653.115 4\r\n 16 5 -2-186.387 951.714 7\r\n -16 5 2-237.681 772.029 6\r\n -16 -5 -1 5736.37 1312.17 2\r\n 16 -5 1 5658.23 1337.05 4\r\n -16 5 1 5297.59 1588.04 6\r\n 16 5 -1 5629.96 1589.46 4\r\n -16 -5 0 98.4368 656.254 2\r\n 16 -5 0-112.215 732.129 4\r\n -16 5 0-96.0220 558.482 6\r\n 16 5 0-567.479 875.181 4\r\n -16 5 -1 5818.06 1574.94 3\r\n -16 -5 1 4929.66 1522.18 2\r\n 16 -5 -1 7210.65 1160.30 4\r\n -16 5 -1 5702.45 1579.89 6\r\n 16 5 1 6584.48 1669.37 4\r\n -16 5 -2-468.128 1429.45 3\r\n -16 -5 2 164.001 1039.34 2\r\n -16 5 -2-858.562 1060.14 6\r\n 16 -5 -2 373.870 412.676 4\r\n 16 5 2 454.381 800.951 4\r\n 16 -5 -3 3228.40 1284.34 5\r\n -16 5 -3 6733.52 1995.35 3\r\n -16 -5 3 5416.70 1744.35 2\r\n -16 5 -3 5126.26 1643.26 6\r\n 16 5 3 1741.99 1294.01 4\r\n 16 -5 -4 5824.29 1601.26 5\r\n -16 -5 4 5413.77 1807.16 2\r\n -16 5 -4 6388.29 2237.60 3\r\n -16 5 -4 4170.08 1550.32 6\r\n 16 5 4 5856.17 1560.86 4\r\n -16 -6 -3 2221.54 1497.07 3\r\n 16 -6 3 1686.64 1256.93 4\r\n 16 6 -3 1866.45 1358.29 7\r\n -16 6 3 2036.90 1466.77 6\r\n -16 -6 -2 1898.03 647.572 2\r\n 16 -6 2 749.915 802.370 4\r\n 16 6 -2 378.493 1172.75 7\r\n -16 6 2 3035.47 1159.70 6\r\n -16 -6 -2 2457.39 1465.86 3\r\n -16 -6 -1 1496.88 959.193 2\r\n 16 -6 1 554.345 821.189 4\r\n -16 6 1 967.647 893.124 6\r\n -16 6 0 817.322 826.630 3\r\n -16 -6 0 2350.18 1045.65 2\r\n 16 -6 0 3009.77 923.304 4\r\n -16 6 0 1411.93 1197.05 6\r\n 16 6 0 3582.09 1578.02 4\r\n -16 6 -1-498.825 675.689 3\r\n -16 -6 1 1282.12 878.369 2\r\n 16 -6 -1 796.365 485.465 4\r\n -16 6 -1 1806.30 1074.12 6\r\n 16 6 1 263.078 895.516 4\r\n -16 6 -2 479.875 1173.84 3\r\n -16 -6 2 1720.86 1146.24 2\r\n -16 6 -2 2458.05 1422.41 6\r\n 16 6 2 2483.00 1280.76 4\r\n 16 -6 -3 2027.97 1403.05 5\r\n -16 6 -3 3141.46 1813.35 3\r\n -16 -6 3 3305.95 1514.98 2\r\n -16 6 -3 2851.92 1360.93 6\r\n 16 6 3 2548.66 1398.40 4\r\n 16 -7 2 671.639 977.864 4\r\n 16 7 -2-205.452 1086.01 7\r\n -16 7 2 768.203 905.168 6\r\n -16 -7 -1 1717.44 874.656 2\r\n 16 -7 1-950.017 879.517 4\r\n -16 7 1-565.517 839.639 6\r\n -16 -7 0 312.536 1132.57 2\r\n 16 -7 0 326.781 675.555 4\r\n -16 7 0 406.288 568.339 6\r\n -16 -7 1 2171.00 1202.36 2\r\n -16 7 -1 1939.24 1334.17 6\r\n 16 -7 -2 4262.55 1379.06 5\r\n -16 7 -2-1566.20 1253.93 3\r\n -16 -7 2 2020.44 1056.44 2\r\n -16 7 -2-614.481 714.267 6\r\n 16 7 2-2250.56 1699.48 4\r\n 17 0 0-2.99408 886.575 4\r\n -17 0 0 16.6612 1069.04 2\r\n 17 0 1 2252.98 847.306 2\r\n 17 0 -1 4275.07 1005.79 7\r\n 17 0 1 3857.87 1114.12 4\r\n -17 0 -1 3082.69 920.792 2\r\n 17 0 -1 3981.18 1076.61 4\r\n -17 0 -1 3740.74 1155.81 6\r\n -17 0 1 4214.16 1166.47 2\r\n 17 0 2 8649.82 1368.33 2\r\n 17 0 -2 10863.4 1491.41 7\r\n 17 0 2 10351.7 1663.73 4\r\n -17 0 -2 9486.04 1558.93 6\r\n 17 0 -2 9205.17 1545.90 4\r\n -17 0 2 10089.5 1727.72 2\r\n -17 0 -3 11.6895 1354.49 3\r\n 17 0 -3-52.6814 429.446 5\r\n 17 0 3-121.219 560.352 2\r\n 17 0 -3-723.231 624.732 7\r\n 17 0 3 120.208 918.704 4\r\n -17 0 -3 58.7979 722.560 6\r\n -17 0 3-198.009 619.886 2\r\n 17 0 -3 137.334 639.656 4\r\n 17 0 -4 1132.45 736.835 5\r\n -17 0 -4-1360.00 1177.66 3\r\n 17 0 -4-272.740 828.004 7\r\n 17 0 4-636.111 1214.77 4\r\n -17 0 -4 1196.37 537.409 6\r\n -17 0 4 779.248 920.489 2\r\n 17 0 -5 1755.52 597.969 5\r\n -17 0 -5 544.030 1477.16 3\r\n 17 0 -5-1562.94 948.597 7\r\n 17 0 5 105.550 903.036 4\r\n -17 0 5-395.369 562.783 2\r\n -17 -1 -5 107.437 1328.02 3\r\n 17 1 -5-1567.16 1182.83 7\r\n 17 -1 5 95.2377 836.015 4\r\n -17 1 5 1518.11 847.262 2\r\n 17 1 -4 3540.39 889.729 5\r\n -17 -1 -4 4240.18 1804.65 3\r\n 17 1 -4 3459.75 1243.37 7\r\n 17 -1 4 4227.92 1409.46 4\r\n -17 -1 -4 2741.63 775.178 6\r\n -17 1 4 1855.62 1058.46 2\r\n 17 -1 3 3056.52 915.862 2\r\n -17 -1 -3 3222.83 1497.36 3\r\n 17 1 -3 1806.26 685.576 5\r\n 17 1 -3 3213.72 878.383 1\r\n 17 -1 3 3166.69 753.616 7\r\n 17 1 -3 1885.20 1130.24 7\r\n 17 -1 3 3015.16 1250.20 4\r\n -17 -1 -3 3358.35 965.318 6\r\n -17 1 3 2981.01 1142.90 2\r\n 17 1 -3 3563.24 1346.33 4\r\n 17 -1 2 5784.09 1250.16 2\r\n -17 -1 -2 6504.01 1070.28 2\r\n 17 1 -2 5171.13 1187.00 7\r\n 17 -1 2 6906.71 1383.93 4\r\n -17 1 2 6174.63 1381.59 2\r\n -17 -1 -2 5018.56 1200.79 6\r\n 17 1 -2 5412.79 1413.62 4\r\n -17 -1 -1 12914.6 1591.59 2\r\n 17 1 -1 11210.0 1621.91 7\r\n 17 -1 1 10591.6 1647.90 4\r\n -17 1 1 11842.8 1790.58 2\r\n 17 1 -1 10707.7 1690.17 4\r\n 17 -1 0 2677.72 791.031 7\r\n -17 1 0 2713.47 956.533 2\r\n 17 -1 0 4034.68 1107.57 4\r\n 17 1 0 4610.16 1206.49 4\r\n -17 1 0 2100.07 1117.69 6\r\n -17 -1 0 3886.71 1165.58 2\r\n 17 1 1 14233.5 1946.84 4\r\n 17 -1 -1 13721.6 1695.68 4\r\n 17 -1 -1 11305.8 1379.99 7\r\n -17 -1 1 12453.9 1779.21 2\r\n 17 1 1 14126.3 1821.89 2\r\n -17 1 -1 13550.9 2008.01 6\r\n 17 1 1 10720.4 1443.36 5\r\n -17 -1 2 4302.14 1367.33 2\r\n 17 1 2 4713.44 1076.12 2\r\n 17 -1 -2 5863.00 1190.30 7\r\n 17 1 2 5390.01 1329.75 4\r\n -17 1 -2 5937.20 1267.72 6\r\n 17 -1 -2 6652.58 1237.87 4\r\n -17 1 -2 3984.09 1426.80 3\r\n -17 -1 3 3645.74 1332.60 2\r\n -17 1 -3 4022.37 1561.06 3\r\n 17 -1 -3 2900.29 874.511 5\r\n 17 1 3 4962.83 998.874 2\r\n 17 -1 -3 3486.08 1202.67 7\r\n 17 1 3 3317.03 1248.51 4\r\n -17 1 -3 3961.98 1152.59 6\r\n 17 -1 -3 2843.60 933.491 4\r\n -17 -1 4 3855.79 1055.72 2\r\n 17 -1 -4 3168.86 969.856 5\r\n -17 1 -4 3073.88 1777.52 3\r\n 17 -1 -4 1424.84 851.595 7\r\n 17 1 4 3734.43 1393.36 4\r\n -17 1 -4 2904.80 857.132 6\r\n -17 -1 5 77.2473 870.856 2\r\n 17 -1 -5 250.080 772.060 5\r\n -17 1 -5-724.193 1874.37 3\r\n 17 -1 -5 925.853 973.319 7\r\n 17 1 5 575.522 1066.30 4\r\n -17 -2 -5 1058.25 1589.22 3\r\n 17 2 -5 1205.09 1234.07 7\r\n 17 -2 5 1055.63 1528.72 4\r\n -17 2 5 2919.84 1043.73 2\r\n -17 2 5 1175.77 980.207 6\r\n -17 -2 -4 3743.74 1843.68 3\r\n 17 2 -4 3834.80 1216.61 7\r\n 17 -2 4 4121.39 1516.12 4\r\n -17 2 4 3695.34 1126.44 2\r\n -17 -2 -4 3228.59 804.879 6\r\n -17 2 4 1056.95 1000.92 6\r\n -17 -2 -3 4144.18 1897.80 3\r\n 17 -2 3 4753.57 989.908 7\r\n 17 2 -3 7343.36 1556.65 7\r\n -17 2 3 5000.69 1031.15 4\r\n 17 -2 3 6130.30 1442.55 4\r\n -17 2 3 6782.02 1465.14 2\r\n -17 -2 -3 7428.29 1312.38 6\r\n -17 2 3 6157.21 1659.95 6\r\n 17 2 -3 6611.24 819.182 5\r\n 17 2 -2 2335.33 478.789 5\r\n -17 2 2 1183.15 672.053 4\r\n 17 2 -2 2027.51 1050.74 7\r\n 17 -2 2 2283.49 983.141 4\r\n -17 2 2 1647.71 1091.02 2\r\n -17 -2 -2 2276.24 761.196 2\r\n -17 2 2 2844.71 1099.70 6\r\n 17 2 -2 1337.69 921.044 4\r\n -17 2 1 3010.75 1087.91 2\r\n 17 2 -1 2034.47 1149.82 7\r\n 17 -2 1 1999.32 1008.50 4\r\n -17 2 1 2683.82 1302.88 6\r\n 17 2 -1 3783.38 1337.53 4\r\n -17 -2 -1 2858.99 1014.79 2\r\n 17 -2 0 30427.8 2461.13 4\r\n 17 2 0 29333.7 2769.19 4\r\n 17 -2 0 32610.9 1748.66 7\r\n -17 -2 0 32513.6 2681.86 2\r\n -17 2 0 30072.9 2980.66 6\r\n 17 2 0 29812.3 2045.15 5\r\n 17 2 1 2760.42 815.519 5\r\n -17 -2 1 2064.13 1072.88 2\r\n 17 -2 -1 1571.41 619.884 7\r\n 17 2 1 2726.69 903.859 2\r\n 17 -2 -1 2152.59 1004.85 4\r\n 17 2 1 1949.91 1180.92 4\r\n -17 2 -1 1252.53 927.602 6\r\n -17 2 -2 2136.60 1496.96 3\r\n -17 -2 2 2040.47 1106.67 2\r\n 17 -2 -2 2348.50 751.235 7\r\n 17 2 2 2177.97 817.795 2\r\n 17 2 2 2519.66 1007.45 4\r\n -17 2 -2 1641.20 951.301 6\r\n 17 -2 -2 2231.81 876.730 4\r\n -17 -2 3 6639.47 1692.09 2\r\n -17 2 -3 5243.21 1828.89 3\r\n 17 -2 -3 6194.04 1238.91 5\r\n 17 -2 -3 6998.11 1392.45 7\r\n 17 2 3 5287.91 1538.27 4\r\n -17 2 -3 6163.11 1482.27 6\r\n 17 -2 -3 6856.97 1261.33 4\r\n -17 -2 4 4514.26 1416.99 2\r\n 17 -2 -4 1939.78 866.429 5\r\n -17 2 -4 1909.62 1565.58 3\r\n 17 -2 -4 3906.76 1293.81 7\r\n 17 2 4 3891.13 1297.30 4\r\n -17 2 -4 5592.15 1256.07 6\r\n -17 -2 5 486.120 1004.29 2\r\n 17 -2 -5 3212.40 972.349 5\r\n -17 2 -5 2992.65 1763.65 3\r\n 17 -2 -5 937.960 1231.68 7\r\n -17 2 -5 1436.70 823.002 6\r\n 17 2 5 2267.55 1271.88 4\r\n -17 -3 -5 976.976 1760.77 3\r\n 17 3 -5 6310.55 1598.44 7\r\n 17 -3 5 3566.71 1553.21 4\r\n -17 3 5 1628.96 950.768 6\r\n -17 -3 -4 55.2031 1224.20 3\r\n 17 3 -4-2086.78 1337.55 7\r\n 17 -3 4 259.142 1050.66 4\r\n -17 3 4-1004.82 931.871 6\r\n -17 -3 -3 303.661 1253.04 3\r\n 17 3 -3 695.684 849.035 7\r\n 17 -3 3 1496.17 1025.20 4\r\n -17 -3 -3 176.995 392.062 2\r\n -17 3 3 2728.79 964.630 6\r\n -17 -3 -3-5.42853 616.291 6\r\n 17 -3 2 11129.4 970.972 7\r\n -17 -3 -2 8972.38 1304.47 2\r\n -17 3 2 9006.81 1461.98 4\r\n 17 3 -2 11245.2 1836.62 7\r\n 17 -3 2 9957.29 1765.19 4\r\n -17 3 2 9550.12 1943.11 6\r\n 17 3 -2 10099.6 2100.58 4\r\n -17 -3 -1 7215.72 1298.62 2\r\n 17 -3 1 8792.75 652.699 7\r\n 17 -3 1 7737.33 601.932 7\r\n -17 3 1 9192.27 1394.01 4\r\n 17 -3 1 10675.2 1660.41 4\r\n -17 3 1 7744.49 1795.40 6\r\n 17 3 -1 9199.85 885.049 5\r\n 17 3 -1 8939.37 1811.62 4\r\n 17 3 0 5982.99 973.283 5\r\n -17 -3 0 7828.28 1464.31 2\r\n 17 -3 0 5764.99 636.963 7\r\n 17 -3 0 6324.36 1241.37 4\r\n -17 3 0 4758.12 1395.44 6\r\n 17 3 0 5731.93 1506.47 4\r\n 17 3 1 8433.28 1309.18 5\r\n -17 -3 1 7213.78 1668.66 2\r\n 17 -3 -1 8201.17 990.886 7\r\n 17 -3 -1 6778.10 1274.68 4\r\n -17 3 -1 9693.35 1900.77 6\r\n 17 3 1 7893.36 1654.38 4\r\n -17 3 -2 8534.16 2261.60 3\r\n -17 -3 2 9988.64 1902.93 2\r\n 17 -3 -2 11613.0 1471.04 4\r\n 17 -3 -2 11546.3 1456.77 7\r\n -17 3 -2 9269.88 1902.10 6\r\n 17 3 2 9653.03 1814.78 4\r\n -17 -3 3 302.131 661.475 2\r\n -17 3 -3 1418.81 1234.72 3\r\n 17 -3 -3 363.127 708.012 5\r\n 17 -3 -3-1338.86 870.637 7\r\n -17 3 -3 234.522 445.337 6\r\n 17 3 3-1554.79 1188.76 4\r\n 17 -3 -3 214.839 585.723 4\r\n -17 -3 4-657.328 988.237 2\r\n 17 -3 -4 2360.39 800.793 5\r\n -17 3 -4 1375.44 949.303 3\r\n 17 -3 -4 2594.97 905.402 7\r\n -17 3 -4-175.144 1034.39 6\r\n 17 3 4 567.468 975.052 4\r\n -17 -3 5 993.217 1006.97 2\r\n 17 -3 -5 2747.70 1049.84 5\r\n -17 3 -5 1585.19 1999.29 3\r\n 17 -3 -5 1747.86 989.690 7\r\n 17 3 5 1620.07 925.747 4\r\n -17 -4 -4 4798.66 1913.12 3\r\n 17 4 -4 2485.07 1227.83 7\r\n 17 -4 4 2784.85 1272.89 4\r\n -17 4 4 2661.41 1129.96 6\r\n -17 -4 -3 471.190 1234.82 3\r\n 17 4 -3 3026.50 910.173 7\r\n 17 -4 3-159.949 1118.01 4\r\n -17 4 3 74.6661 452.430 6\r\n -17 -4 -2 831.699 609.694 2\r\n -17 4 2 995.131 555.573 4\r\n 17 4 -2 539.992 782.802 7\r\n 17 -4 2 541.699 949.991 4\r\n -17 4 2 1040.71 1036.38 6\r\n -17 4 1 16361.3 1971.39 4\r\n 17 -4 1 16005.9 2033.75 4\r\n -17 -4 -1 17352.5 1987.84 2\r\n -17 4 1 15369.7 2338.40 6\r\n 17 4 -1 16283.9 2383.70 4\r\n 17 4 0 910.392 517.347 5\r\n -17 -4 0 2962.56 965.628 2\r\n 17 -4 0 1609.28 880.704 4\r\n -17 4 0 623.997 1233.35 6\r\n 17 4 0 3116.44 1434.71 4\r\n -17 4 -1 16698.1 2687.04 3\r\n 17 -4 -1 17675.9 1777.06 4\r\n -17 -4 1 21173.8 2537.36 2\r\n -17 4 -1 16787.4 2401.17 6\r\n 17 4 1 16694.3 2366.65 4\r\n 17 4 1 14685.3 1690.56 5\r\n -17 4 -2-402.742 1186.63 3\r\n -17 -4 2 995.847 725.616 2\r\n 17 -4 -2 142.022 304.933 7\r\n -17 4 -2 687.456 793.195 6\r\n 17 -4 -2 1658.81 583.842 4\r\n 17 4 2 1141.55 826.311 4\r\n 17 -4 -3-1387.94 654.906 5\r\n -17 4 -3-1467.54 1314.32 3\r\n -17 -4 3-821.923 819.493 2\r\n 17 -4 -3-365.593 622.912 7\r\n -17 4 -3-1347.02 865.038 6\r\n 17 4 3 316.117 698.574 4\r\n 17 -4 -4 1477.51 882.575 5\r\n -17 -4 4 2907.69 1438.73 2\r\n -17 4 -4 5110.46 1888.18 3\r\n 17 -4 -4 2750.21 851.929 7\r\n -17 4 -4 1858.56 1178.29 6\r\n 17 4 4 1718.42 1250.96 4\r\n -17 -5 -4-1891.43 1821.30 3\r\n 17 5 -4-1246.60 1097.09 7\r\n 17 -5 4-3090.18 1580.69 4\r\n -17 5 4-1570.24 1273.64 6\r\n -17 -5 -3 2245.18 1724.80 3\r\n 17 -5 3 3378.40 1363.77 4\r\n 17 5 -3 3749.75 1462.41 7\r\n -17 5 3 4602.17 1339.75 6\r\n -17 -5 -2 4275.58 994.182 2\r\n 17 -5 2 2573.13 1190.11 4\r\n 17 5 -2 4924.40 1427.84 7\r\n -17 5 2 4430.17 1404.80 6\r\n -17 -5 -1 3142.96 1061.11 2\r\n 17 -5 1 2177.37 1025.02 4\r\n -17 5 1 2994.60 1573.87 6\r\n 17 5 -1 3971.88 1502.41 4\r\n -17 -5 0 782.826 897.398 2\r\n 17 -5 0 66.2482 482.023 4\r\n -17 5 0 379.506 1100.37 6\r\n 17 5 0 1282.19 1258.64 4\r\n -17 5 -1 2597.23 1266.88 3\r\n -17 -5 1 3155.24 1215.61 2\r\n 17 -5 -1 3111.07 995.508 4\r\n -17 5 -1 2116.89 1328.63 6\r\n 17 5 1 3329.75 1344.37 4\r\n -17 5 -2 8458.41 1963.26 3\r\n -17 -5 2 6458.87 1802.97 2\r\n -17 5 -2 7199.19 1673.32 6\r\n 17 -5 -2 4873.01 997.325 4\r\n 17 5 2 4869.05 1432.75 4\r\n 17 -5 -3 2807.37 1230.31 5\r\n -17 5 -3 497.275 1556.20 3\r\n -17 -5 3 1991.57 1365.39 2\r\n -17 5 -3 3802.07 1447.29 6\r\n 17 5 3 3153.16 1507.02 4\r\n 17 -5 -4 82.6347 1280.45 5\r\n -17 -5 4-2307.88 1530.04 2\r\n -17 5 -4-2993.13 1638.38 3\r\n -17 5 -4 3301.47 1248.04 6\r\n 17 5 4 610.612 980.410 4\r\n -17 -6 -3 4003.05 1307.78 3\r\n 17 -6 3 1060.44 1051.87 4\r\n 17 6 -3 2027.14 1450.75 7\r\n -17 6 3 497.542 1281.54 6\r\n -17 -6 -2 1996.23 690.553 2\r\n 17 -6 2-105.671 697.255 4\r\n 17 6 -2 324.538 1082.90 7\r\n -17 6 2 1622.70 942.491 6\r\n -17 -6 -1 734.235 879.672 2\r\n 17 -6 1 2141.00 1058.18 4\r\n -17 6 1 101.060 1235.62 6\r\n -17 6 0 4606.71 1413.95 3\r\n -17 -6 0 4912.25 1597.58 2\r\n 17 -6 0 6954.97 1384.33 4\r\n -17 6 0 3792.77 1364.59 6\r\n 17 6 0 4163.72 1978.24 4\r\n -17 6 -1 1683.79 1337.73 3\r\n -17 -6 1 435.231 1247.00 2\r\n 17 -6 -1 280.215 732.875 4\r\n -17 6 -1-325.351 1245.15 6\r\n 17 6 1 1243.42 1317.73 4\r\n -17 6 -2 1270.27 1302.52 3\r\n -17 -6 2 1828.94 838.517 2\r\n -17 6 -2 2649.60 1454.08 6\r\n 17 6 2 750.665 1084.00 4\r\n 17 -6 -3 483.613 1007.07 5\r\n -17 6 -3 1992.72 1287.14 3\r\n -17 -6 3 2419.21 1286.15 2\r\n -17 6 -3 1973.39 1283.17 6\r\n 17 6 3 784.342 1017.83 4\r\n -17 -7 -1 74.0415 1399.06 2\r\n 17 -7 1-58.6548 998.899 4\r\n -17 7 1-1393.63 738.324 6\r\n -17 -7 0 1294.62 639.344 2\r\n 17 -7 0 909.272 659.825 4\r\n -17 -7 1 3205.15 1161.25 2\r\n -17 7 -1 919.671 1039.90 6\r\n 17 7 1 445.306 1192.91 4\r\n 18 0 0 93737.4 4506.03 4\r\n -18 0 0 90164.8 4338.14 2\r\n 18 0 -1 3991.94 968.489 7\r\n -18 0 -1 5518.54 1192.25 2\r\n 18 0 1 5324.24 1296.25 4\r\n 18 0 -1 4016.63 1237.68 4\r\n -18 0 -1 4568.07 1252.92 6\r\n -18 0 1 4395.99 1224.08 2\r\n 18 0 2 1241.80 746.719 2\r\n 18 0 -2 1004.34 701.152 7\r\n 18 0 2-184.407 1024.18 4\r\n -18 0 -2 2526.93 960.957 6\r\n 18 0 -2 1532.34 867.395 4\r\n -18 0 2 1575.85 1092.30 2\r\n -18 0 -3 61.8643 1405.61 3\r\n 18 0 -3 940.990 556.068 5\r\n 18 0 3-127.176 787.538 2\r\n 18 0 -3 1331.61 918.254 7\r\n 18 0 3 742.471 900.629 4\r\n -18 0 -3 782.043 792.383 6\r\n -18 0 3 2450.87 1009.11 2\r\n 18 0 -3-302.121 621.184 4\r\n 18 0 -4 772.113 578.328 5\r\n -18 0 -4-376.994 1926.62 3\r\n 18 0 -4-70.6537 1034.44 7\r\n 18 0 4-13.3624 1116.29 4\r\n -18 0 -4 367.269 536.217 6\r\n -18 0 4-199.278 783.274 2\r\n -18 0 -5 600.157 1164.94 3\r\n 18 0 -5-1003.49 1243.89 7\r\n 18 0 5 145.004 931.838 4\r\n -18 0 5 3268.43 1060.73 2\r\n -18 -1 -5 1174.27 1744.83 3\r\n 18 1 -5 3963.77 1276.90 7\r\n 18 -1 5 171.509 1267.14 4\r\n -18 1 5 1227.92 989.752 2\r\n 18 1 -4 4353.02 840.310 5\r\n -18 -1 -4 1928.80 1771.91 3\r\n 18 1 -4 4671.37 1301.74 7\r\n 18 -1 4 4339.51 1439.12 4\r\n -18 -1 -4 4310.28 995.446 6\r\n -18 1 4 2314.35 1215.45 2\r\n 18 -1 3 6399.26 1289.95 2\r\n -18 -1 -3 5040.51 1804.49 3\r\n 18 1 -3 5752.90 939.531 5\r\n 18 -1 3 3505.64 989.322 7\r\n 18 1 -3 5152.81 1498.95 7\r\n 18 -1 3 7052.55 1522.71 4\r\n -18 -1 -3 5918.01 1318.33 6\r\n -18 1 3 3754.28 1232.14 2\r\n 18 1 -3 6185.73 1670.77 4\r\n -18 -1 -2 991.725 657.497 2\r\n 18 1 -2 1087.90 817.570 7\r\n 18 -1 2 2239.20 922.838 4\r\n -18 1 2 1738.20 1065.81 2\r\n -18 -1 -2 892.413 814.022 6\r\n 18 1 -2 1344.45 933.657 4\r\n 18 -1 1 12105.8 1788.13 4\r\n 18 1 -1 15963.2 2067.32 4\r\n -18 -1 -1 13791.6 1736.21 2\r\n 18 1 -1 12070.7 1713.42 7\r\n -18 1 1 13341.8 1964.52 2\r\n -18 1 1 13033.6 2161.66 6\r\n 18 -1 0 12222.5 1769.24 4\r\n 18 -1 0 13396.0 1432.62 7\r\n -18 -1 0 13713.4 1868.03 2\r\n -18 1 0 13420.6 1889.37 2\r\n 18 1 0 12183.5 1859.95 4\r\n -18 1 0 12697.5 2032.14 6\r\n 18 -1 -1 13368.6 1820.15 4\r\n 18 -1 -1 12470.9 1446.83 7\r\n 18 1 1 11553.4 1787.64 4\r\n -18 1 -1 15076.6 2275.09 6\r\n -18 -1 1 12114.6 1920.38 2\r\n 18 1 2 877.946 626.466 2\r\n 18 -1 -2 1641.71 810.201 7\r\n 18 1 2 801.181 937.154 4\r\n -18 1 -2 1600.36 830.469 6\r\n 18 -1 -2 2119.72 904.321 4\r\n -18 -1 2 2140.20 914.963 2\r\n -18 1 -3 5713.39 1911.64 3\r\n 18 -1 -3 5549.70 1104.44 5\r\n 18 -1 -3 6079.72 1296.49 7\r\n 18 1 3 4706.02 1386.10 4\r\n -18 1 -3 6207.63 1416.36 6\r\n 18 -1 -3 3851.83 1146.26 4\r\n -18 -1 3 6666.54 1691.98 2\r\n 18 -1 -4 4087.83 1011.74 5\r\n -18 1 -4 4235.01 1959.10 3\r\n 18 -1 -4 2069.61 1065.56 7\r\n 18 1 4 3637.53 1348.61 4\r\n -18 1 -4 2638.58 1048.47 6\r\n -18 -1 4 3680.20 1269.97 2\r\n 18 -1 -5-114.493 979.315 5\r\n -18 1 -5 2069.46 1941.43 3\r\n 18 -1 -5 857.196 1199.58 7\r\n 18 1 5 756.099 862.276 4\r\n -18 -1 5 738.199 801.104 2\r\n -18 -2 -5-570.578 1381.10 3\r\n 18 2 -5-2164.73 1180.06 7\r\n 18 -2 5-745.267 1535.74 4\r\n -18 2 5-9.75830 389.694 2\r\n -18 2 5-2187.26 1240.09 6\r\n -18 -2 -4 800.111 1572.82 3\r\n 18 2 -4-1140.61 480.613 7\r\n 18 -2 4-374.881 1113.76 4\r\n -18 2 4-412.928 634.751 2\r\n -18 2 4 442.797 1009.83 6\r\n -18 -2 -3 11143.5 2489.60 3\r\n 18 2 -3 7943.45 1554.12 7\r\n -18 2 3 6721.64 1179.92 4\r\n 18 -2 3 11230.0 1877.80 4\r\n -18 -2 -3 11304.2 1613.56 6\r\n -18 2 3 9069.19 1650.59 2\r\n -18 2 3 10744.9 1916.15 6\r\n 18 2 -3 9058.35 938.243 5\r\n 18 2 -2 4300.48 638.721 5\r\n 18 2 -2 3617.19 1177.20 7\r\n 18 -2 2 2020.98 931.345 4\r\n -18 2 2 3645.12 1260.39 2\r\n -18 -2 -2 2081.21 730.358 2\r\n -18 2 2 2887.36 1249.75 6\r\n 18 2 -2 2820.02 1317.18 4\r\n 18 2 -1 324.690 864.074 7\r\n 18 -2 1 1355.44 793.305 4\r\n -18 2 1 2236.91 1104.18 6\r\n 18 2 -1 1232.10 1102.70 4\r\n -18 -2 -1-246.759 830.521 2\r\n 18 -2 0 8948.82 998.718 7\r\n 18 -2 0 9234.24 1448.65 4\r\n -18 2 0 8010.27 1730.56 6\r\n 18 2 0 8609.41 1706.69 4\r\n -18 -2 0 11297.4 1754.94 2\r\n 18 2 0 7626.91 1185.61 5\r\n 18 2 1 242.480 522.139 5\r\n -18 -2 1 1144.70 954.342 2\r\n 18 -2 -1 240.806 569.358 7\r\n 18 -2 -1 802.489 716.413 4\r\n 18 2 1-18.2880 1069.41 4\r\n -18 2 -1 218.769 880.061 6\r\n -18 -2 2 3019.48 1219.97 2\r\n -18 2 -2 2539.52 1388.28 3\r\n 18 -2 -2 3228.53 980.577 7\r\n 18 2 2 3027.38 1042.13 2\r\n 18 2 2 2840.87 1207.68 4\r\n -18 2 -2 4154.55 1288.71 6\r\n 18 -2 -2 3419.47 1029.79 4\r\n -18 -2 3 10640.7 2061.39 2\r\n -18 2 -3 7935.34 2315.57 3\r\n 18 -2 -3 10577.8 1612.82 5\r\n 18 -2 -3 13758.7 1776.72 4\r\n 18 -2 -3 9013.14 1576.86 7\r\n 18 2 3 11081.9 2042.02 4\r\n -18 2 -3 11079.0 1901.71 6\r\n -18 -2 4 381.249 701.500 2\r\n 18 -2 -4-659.863 829.385 5\r\n -18 2 -4-2898.67 1943.22 3\r\n 18 -2 -4-1522.43 957.837 7\r\n 18 2 4-1405.44 1121.39 4\r\n -18 2 -4-1197.83 864.973 6\r\n -18 -2 5 1051.61 750.537 2\r\n 18 -2 -5 1971.46 822.101 5\r\n 18 -2 -5 906.085 1119.47 7\r\n -18 2 -5-705.826 450.792 6\r\n 18 2 5-893.995 1292.11 4\r\n -18 -3 -5 4376.11 1526.44 3\r\n 18 3 -5 311.350 650.210 7\r\n 18 -3 5 3102.23 1454.52 4\r\n -18 3 5 3841.99 1259.71 6\r\n -18 -3 -4 2712.47 1480.95 3\r\n 18 3 -4 4254.30 1337.45 7\r\n 18 -3 4 3444.98 1473.43 4\r\n -18 3 4 2891.08 1217.43 6\r\n -18 -3 -3 1549.65 1257.71 3\r\n -18 -3 -3 1048.27 498.732 2\r\n 18 3 -3 1553.25 850.915 7\r\n 18 -3 3 515.972 941.054 4\r\n -18 3 3 75.7600 930.279 6\r\n -18 -3 -3 1924.10 733.920 6\r\n -18 3 2 3958.47 1151.87 4\r\n 18 3 -2 5406.07 1420.64 7\r\n 18 -3 2 6184.78 1390.77 4\r\n -18 3 2 6471.97 1637.33 6\r\n -18 -3 -2 6869.60 1146.52 2\r\n 18 3 -2 5360.70 1560.55 4\r\n 18 -3 1 14315.6 2004.33 4\r\n 18 -3 1 12483.6 821.494 7\r\n 18 -3 1 13507.8 839.737 7\r\n 18 3 -1 13555.8 1927.03 7\r\n -18 -3 -1 11668.0 1709.44 2\r\n -18 3 1 10344.0 2101.46 6\r\n 18 3 -1 12336.4 2188.78 4\r\n 18 3 0 5069.96 920.755 5\r\n -18 -3 0 3149.14 1065.14 2\r\n 18 -3 0 3016.11 516.872 7\r\n 18 -3 0 3244.35 1075.34 4\r\n -18 3 0 2932.36 1142.03 6\r\n 18 3 0 3782.05 1290.40 4\r\n -18 -3 1 11674.0 1948.43 2\r\n 18 -3 -1 13687.4 1710.64 4\r\n 18 -3 -1 12229.6 1214.74 7\r\n -18 3 -1 13401.0 2172.19 6\r\n 18 3 1 11493.1 2030.85 4\r\n 18 3 1 13882.6 1741.93 5\r\n -18 3 -2 5189.04 1611.24 3\r\n -18 -3 2 7771.31 1739.26 2\r\n 18 -3 -2 4239.15 1058.09 7\r\n -18 3 -2 5236.37 1381.83 6\r\n 18 3 2 6657.73 1482.16 4\r\n 18 -3 -2 5581.47 1159.98 4\r\n -18 -3 3 199.151 1359.47 2\r\n -18 3 -3 851.043 1404.48 3\r\n 18 -3 -3 950.012 812.404 5\r\n 18 -3 -3 2814.40 1026.28 7\r\n -18 3 -3 1585.57 897.978 6\r\n 18 3 3 1824.04 1234.44 4\r\n 18 -3 -3 1048.14 746.485 4\r\n -18 -3 4 2714.27 1022.21 2\r\n 18 -3 -4 3181.93 1240.35 5\r\n -18 3 -4 2377.46 2037.35 3\r\n 18 -3 -4 1937.15 982.896 7\r\n -18 3 -4 2632.29 1261.00 6\r\n 18 3 4 1953.47 991.184 4\r\n -18 -3 5-1877.74 1456.53 2\r\n 18 -3 -5 1288.82 1099.31 5\r\n -18 3 -5 1107.42 1579.15 3\r\n 18 -3 -5 661.743 879.750 7\r\n -18 3 -5-978.674 783.553 6\r\n 18 3 5 913.815 1314.04 4\r\n 18 4 -4 1510.56 1001.75 7\r\n 18 -4 4-53.8327 1160.10 4\r\n -18 4 4 349.940 1018.48 6\r\n -18 -4 -3 1703.41 1302.10 3\r\n 18 4 -3 503.820 684.611 7\r\n 18 -4 3-297.455 904.119 4\r\n -18 4 3-389.868 932.313 6\r\n 18 4 -2 3707.84 1150.75 7\r\n 18 -4 2 2271.81 1141.30 4\r\n -18 4 2 3661.23 1277.10 6\r\n -18 -4 -2 2763.93 804.828 2\r\n -18 -4 -1 2327.47 940.933 2\r\n 18 -4 1 2552.48 1108.40 4\r\n -18 4 1 2842.67 1242.14 6\r\n 18 4 -1 1326.66 1375.53 4\r\n -18 -4 0 13605.8 2056.14 2\r\n 18 -4 0 12810.0 1757.24 4\r\n -18 4 0 13114.8 2271.36 6\r\n 18 4 0 14289.4 2320.38 4\r\n -18 4 -1 2656.91 1524.62 3\r\n -18 -4 1 2349.75 1179.14 2\r\n 18 -4 -1 2352.29 954.393 4\r\n -18 4 -1 2541.51 1305.11 6\r\n 18 4 1 2951.21 1364.49 4\r\n -18 4 -2 330.523 1070.28 3\r\n -18 -4 2 1083.08 1108.07 2\r\n 18 -4 -2 1863.97 614.250 7\r\n -18 4 -2 1266.99 1052.36 6\r\n 18 -4 -2 2626.64 801.768 4\r\n 18 4 2 3874.30 1315.56 4\r\n -18 -4 3 109.959 984.554 2\r\n -18 4 -3 2146.24 1226.68 3\r\n 18 -4 -3-418.837 671.627 5\r\n 18 -4 -3 140.359 427.999 7\r\n -18 4 -3 585.937 762.694 6\r\n 18 4 3-397.482 1212.99 4\r\n 18 -4 -4-18.9074 830.772 5\r\n -18 -4 4 301.368 1129.17 2\r\n -18 4 -4-1313.02 1360.24 3\r\n 18 -4 -4 3617.19 904.770 7\r\n -18 4 -4 454.999 729.541 6\r\n 18 4 4 220.093 936.852 4\r\n -18 -5 -3 1675.88 1534.88 3\r\n 18 5 -3-38.6585 1465.19 7\r\n 18 -5 3 1295.87 1052.91 4\r\n -18 5 3 868.559 1334.14 6\r\n -18 -5 -2 7962.66 1330.69 2\r\n 18 5 -2 6803.35 1827.31 7\r\n 18 -5 2 7297.42 1739.30 4\r\n -18 5 2 9543.92 2121.34 6\r\n -18 -5 -1 1561.72 793.719 2\r\n 18 -5 1 2226.16 1041.55 4\r\n -18 5 1 1508.78 1064.05 6\r\n 18 5 -1 1008.11 1463.72 4\r\n -18 -5 0 1521.90 1030.58 2\r\n 18 -5 0 2589.98 1051.93 4\r\n -18 5 0 2547.92 1022.84 6\r\n 18 5 0 3565.05 1446.49 4\r\n -18 5 -1 963.204 1186.79 3\r\n -18 -5 1 2802.14 1327.16 2\r\n 18 -5 -1 3764.20 968.458 4\r\n -18 5 -1 1201.07 1118.28 6\r\n 18 5 1 2977.16 1479.50 4\r\n -18 5 -2 6520.56 2000.80 3\r\n -18 -5 2 6515.43 1873.63 2\r\n -18 5 -2 13100.8 2396.07 6\r\n 18 5 2 11761.2 2168.99 4\r\n 18 -5 -3 2476.50 1140.05 5\r\n -18 5 -3 1578.66 1678.90 3\r\n -18 -5 3 1664.10 1012.98 2\r\n -18 5 -3 863.119 805.283 6\r\n 18 5 3 2132.53 1282.69 4\r\n -18 -6 -3 4267.72 1841.72 3\r\n 18 -6 3 3771.49 1469.08 4\r\n 18 6 -3 3881.18 1372.77 7\r\n -18 6 3 1503.36 1542.70 6\r\n 18 -6 2 316.019 1013.70 4\r\n 18 6 -2-43.1176 1109.43 7\r\n -18 6 2 311.522 951.215 6\r\n -18 -6 -1 1624.50 982.460 2\r\n 18 -6 1 3593.16 1230.67 4\r\n -18 6 1 827.199 1061.38 6\r\n -18 6 0 2645.25 1094.86 3\r\n -18 -6 0 1396.46 950.497 2\r\n 18 -6 0 256.539 530.031 4\r\n -18 6 0-1867.99 1202.85 6\r\n 18 6 0-565.468 1511.40 4\r\n -18 6 -1 1045.29 1264.22 3\r\n -18 -6 1 959.488 1464.89 2\r\n -18 6 -1 5410.44 1462.13 6\r\n 18 6 1 4436.68 1458.02 4\r\n -18 6 -2 198.670 999.496 3\r\n -18 -6 2-2052.83 1627.27 2\r\n -18 6 -2-917.164 1083.75 6\r\n 18 6 2 1438.34 1397.54 4\r\n 18 -6 -3 2973.57 1317.45 5\r\n -18 -6 3 3665.43 1403.37 2\r\n -18 6 -3 2436.17 1414.41 6\r\n 18 6 3 1792.43 1422.90 4\r\n -18 -7 -1-823.726 879.057 2\r\n 18 -7 1-930.346 1264.72 4\r\n 18 7 -1 1548.75 1165.51 7\r\n -18 7 1 1545.94 788.547 6\r\n -18 -7 0-15.3980 854.667 2\r\n -18 7 0 471.072 947.023 6\r\n -18 -7 1-51.9625 1133.79 2\r\n -18 7 -1-3310.67 1435.61 6\r\n 18 7 1-1819.06 1655.86 4\r\n 19 0 0 483.358 844.078 4\r\n -19 0 0 1125.32 1075.85 2\r\n 19 0 -1 822.933 688.301 7\r\n -19 0 -1 905.340 834.777 2\r\n 19 0 1 817.225 973.376 4\r\n 19 0 -1 1074.29 767.381 4\r\n -19 0 1 2675.91 1175.64 2\r\n -19 0 -1 1577.71 944.657 6\r\n 19 0 -2 9092.97 1527.92 7\r\n 19 0 2 10418.5 1844.12 4\r\n -19 0 -2 10788.1 1776.93 6\r\n -19 0 2 7948.58 1774.37 2\r\n 19 0 -2 11000.8 1804.57 4\r\n -19 0 -3 6466.21 2368.75 3\r\n 19 0 -3 8677.66 1310.87 5\r\n 19 0 -3 7112.27 1493.21 7\r\n 19 0 3 8345.56 1752.53 4\r\n -19 0 -3 7611.20 1648.59 6\r\n -19 0 3 9164.98 1704.74 2\r\n 19 0 -3 10079.1 1809.22 4\r\n 19 0 -4 3889.22 1010.41 5\r\n -19 0 -4 4242.00 2180.59 3\r\n 19 0 -4 5324.11 1466.84 7\r\n 19 0 4 4080.39 1499.49 4\r\n -19 0 -4 3972.78 1056.84 6\r\n -19 0 4 7714.96 1810.72 2\r\n -19 0 -5-2670.39 2165.77 3\r\n 19 0 -5 2450.38 1004.19 7\r\n 19 0 5-365.819 1067.42 4\r\n -19 0 5-2601.53 976.346 2\r\n -19 -1 -5 2741.22 1423.50 3\r\n 19 1 -5 1274.70 1198.63 7\r\n -19 1 5 218.340 649.776 2\r\n -19 -1 -4 3239.45 2104.89 3\r\n 19 1 -4 2529.39 965.450 7\r\n 19 -1 4 2147.40 1337.73 4\r\n -19 -1 -4 1727.72 705.716 6\r\n -19 1 4 1015.04 1021.32 2\r\n -19 -1 -3 2128.98 1488.45 3\r\n 19 1 -3 1363.62 541.579 5\r\n 19 1 -3 813.507 1106.55 7\r\n 19 -1 3 1392.29 977.795 4\r\n -19 -1 -3 1977.69 879.049 6\r\n -19 1 3 1122.07 881.096 2\r\n 19 1 -3 491.946 1072.63 4\r\n 19 1 -2 8417.92 1558.65 7\r\n 19 -1 2 11160.5 1817.67 4\r\n -19 1 2 9619.43 1811.88 2\r\n -19 -1 -2 8812.90 1606.10 6\r\n 19 1 -2 11038.8 1914.02 4\r\n 19 -1 1 33401.7 2941.32 4\r\n -19 1 1 33841.5 2957.08 2\r\n 19 1 -1 34298.6 3058.64 4\r\n -19 -1 -1 34224.2 2653.62 2\r\n 19 1 -1 30089.4 2652.50 7\r\n -19 1 1 34499.7 3418.68 6\r\n 19 -1 0 26759.1 2596.92 4\r\n -19 1 0 25164.9 2515.59 2\r\n 19 1 0 23588.2 2605.10 4\r\n -19 -1 0 27772.5 2600.05 2\r\n 19 -1 0 25377.1 2011.39 7\r\n -19 1 0 27557.6 2992.92 6\r\n 19 1 1 27425.6 2727.95 4\r\n 19 -1 -1 32323.8 2734.93 4\r\n 19 -1 -1 30906.7 2243.36 7\r\n -19 -1 1 34543.4 3104.31 2\r\n -19 1 -1 31301.3 3127.65 6\r\n 19 1 2 8356.14 1519.84 2\r\n 19 -1 -2 9754.27 1492.88 7\r\n 19 1 2 10883.3 1839.04 4\r\n -19 1 -2 10349.9 1837.97 6\r\n 19 -1 -2 8986.31 1512.70 4\r\n -19 -1 2 10373.0 1877.92 2\r\n -19 1 -3 4829.03 1508.72 3\r\n 19 -1 -3 362.667 738.874 5\r\n 19 -1 -3 1793.79 753.879 7\r\n 19 1 3 2265.22 1265.52 4\r\n -19 1 -3 2251.31 937.676 6\r\n 19 -1 -3 1670.52 698.362 4\r\n -19 -1 3 1159.51 1050.55 2\r\n 19 -1 -4 1847.48 912.450 5\r\n -19 1 -4 3717.26 1830.25 3\r\n 19 -1 -4 2880.12 1147.56 7\r\n 19 1 4 2147.76 1439.67 4\r\n -19 1 -4 2779.44 980.379 6\r\n -19 -1 4 1534.96 1344.63 2\r\n 19 -1 -5-1183.15 933.894 5\r\n -19 1 -5-1565.75 1591.25 3\r\n 19 -1 -5-1387.27 783.995 7\r\n 19 1 5 362.039 1140.17 4\r\n -19 -1 5 33.7984 822.382 2\r\n -19 -2 -5 747.349 1715.77 3\r\n 19 2 -5 2446.59 969.470 7\r\n 19 -2 5 2482.86 1488.81 4\r\n -19 2 5 954.543 799.664 2\r\n -19 2 5 1694.33 1102.33 6\r\n -19 -2 -4 1888.49 2100.04 3\r\n 19 2 -4 1273.32 839.213 7\r\n 19 -2 4 2708.61 1241.27 4\r\n -19 2 4 3891.63 1109.09 2\r\n -19 2 4 1742.18 1069.13 6\r\n -19 -2 -3 6735.88 1882.95 3\r\n 19 2 -3 2688.10 1174.90 7\r\n 19 -2 3 2932.75 1336.02 4\r\n -19 2 3 3740.71 1212.58 2\r\n -19 -2 -3 4818.51 1163.44 6\r\n -19 2 3 3375.21 1233.60 6\r\n 19 -2 2 14241.9 2132.32 4\r\n -19 -2 -2 12874.2 1544.01 2\r\n 19 2 -2 12764.3 1867.36 7\r\n -19 2 2 13050.0 2196.34 2\r\n -19 2 2 13345.9 2316.03 6\r\n 19 2 -2 13231.9 2163.47 4\r\n 19 -2 1 7287.39 961.003 7\r\n 19 2 -1 8171.84 1558.59 7\r\n 19 -2 1 8161.32 1576.54 4\r\n -19 2 1 8036.98 1766.37 6\r\n 19 2 -1 7445.42 1103.91 5\r\n -19 -2 -1 7702.69 1374.65 2\r\n 19 2 -1 5896.04 1572.43 4\r\n 19 2 0 9292.41 1351.37 5\r\n 19 -2 0 12448.4 1732.84 4\r\n 19 -2 0 10843.3 1130.64 7\r\n -19 2 0 9813.42 1842.12 6\r\n 19 2 0 11040.0 1880.36 4\r\n -19 -2 0 9583.14 1671.79 2\r\n -19 -2 1 7598.81 1640.87 2\r\n 19 -2 -1 6640.20 1141.04 7\r\n 19 -2 -1 6255.13 1331.22 4\r\n 19 2 1 8048.63 1604.90 4\r\n -19 2 -1 7855.77 1669.84 6\r\n -19 -2 2 9479.01 1896.43 2\r\n -19 2 -2 13035.7 2654.33 3\r\n 19 -2 -2 12416.9 1743.60 4\r\n 19 -2 -2 10236.2 1532.92 7\r\n 19 2 2 9963.42 1659.16 2\r\n 19 2 2 11337.6 2079.67 4\r\n -19 2 -2 13482.4 2178.61 6\r\n -19 -2 3 5625.50 1650.81 2\r\n -19 2 -3 4321.35 1751.03 3\r\n 19 -2 -3 5115.67 1214.29 5\r\n 19 -2 -3 4374.65 1073.43 7\r\n 19 2 3 5662.06 1635.61 4\r\n -19 2 -3 2419.59 1243.69 6\r\n 19 -2 -3 5423.15 1266.16 4\r\n -19 -2 4 3061.74 1122.58 2\r\n 19 -2 -4 1720.09 957.528 5\r\n -19 2 -4 4098.08 1416.96 3\r\n 19 -2 -4 5476.30 1342.63 7\r\n 19 2 4 4003.57 1533.17 4\r\n -19 2 -4 1542.80 1029.49 6\r\n -19 -2 5 2003.22 1073.82 2\r\n 19 -2 -5 1322.70 775.780 5\r\n -19 2 -5 3993.26 2098.95 3\r\n 19 -2 -5-346.715 876.846 7\r\n 19 2 5-1317.38 1430.20 4\r\n 19 3 -4 376.298 788.340 7\r\n 19 -3 4 927.915 965.695 4\r\n -19 3 4 1545.55 813.714 6\r\n -19 -3 -3 552.069 1431.97 3\r\n 19 3 -3 1497.76 928.657 7\r\n 19 -3 3 3580.46 1055.18 4\r\n -19 3 3 916.352 997.516 6\r\n -19 -3 -3 2063.88 724.746 6\r\n 19 3 -2 389.831 905.762 7\r\n 19 -3 2 525.665 770.600 4\r\n -19 3 2 2098.28 1354.17 6\r\n -19 -3 -2 680.469 600.300 2\r\n 19 3 -2-335.901 1259.46 4\r\n 19 -3 1 8172.53 707.273 7\r\n 19 3 -1 5017.98 1362.41 7\r\n 19 -3 1 9557.45 1684.59 4\r\n -19 3 1 10001.7 2093.40 6\r\n 19 3 -1 7424.99 1818.34 4\r\n -19 -3 -1 6869.64 1398.62 2\r\n -19 -3 0 5977.34 1539.35 2\r\n 19 -3 0 6601.80 742.239 7\r\n 19 -3 0 5742.06 1391.09 4\r\n -19 3 0 7841.80 1694.18 6\r\n 19 3 0 7456.53 1622.01 4\r\n 19 3 1 6984.26 1324.90 5\r\n -19 -3 1 8171.83 1679.38 2\r\n 19 -3 -1 6202.57 914.235 7\r\n 19 -3 -1 6731.80 1314.72 4\r\n -19 3 -1 6213.96 1632.52 6\r\n 19 3 1 8792.96 1831.90 4\r\n -19 -3 2 31.9600 679.092 2\r\n -19 3 -2-463.202 1044.98 3\r\n 19 -3 -2 1754.81 601.740 7\r\n -19 3 -2 2674.58 900.685 6\r\n 19 3 2-127.285 1103.57 4\r\n 19 -3 -2 83.5712 738.173 4\r\n -19 -3 3 832.635 642.193 2\r\n -19 3 -3 656.174 1353.83 3\r\n 19 -3 -3 499.522 750.263 5\r\n 19 -3 -3 133.457 615.245 7\r\n -19 3 -3 1191.35 1028.64 6\r\n 19 3 3 1416.73 1235.37 4\r\n 19 -3 -3 1577.19 719.402 4\r\n -19 -3 4 1544.69 934.434 2\r\n 19 -3 -4-835.956 707.327 5\r\n -19 3 -4-1055.90 1522.46 3\r\n 19 -3 -4-148.181 306.681 7\r\n -19 3 -4-343.365 848.622 6\r\n 19 3 4 212.455 1059.71 4\r\n -19 -4 -4 534.427 1728.08 3\r\n 19 4 -4 4441.48 1717.42 7\r\n 19 -4 4 2281.19 1586.78 4\r\n -19 4 4 2089.82 1426.86 6\r\n -19 -4 -3 4384.29 2157.56 3\r\n 19 4 -3 6080.58 1500.71 7\r\n 19 -4 3 5950.41 1772.53 4\r\n -19 4 3 8807.79 1846.78 6\r\n 19 4 -2 2981.18 1137.10 7\r\n 19 -4 2 1667.80 929.897 4\r\n -19 4 2 2260.56 996.024 6\r\n -19 -4 -2 1537.76 745.558 2\r\n -19 -4 -1 1060.88 817.620 2\r\n 19 -4 1 2475.89 829.033 4\r\n -19 4 1 871.007 909.298 6\r\n 19 4 -1 339.306 1158.28 4\r\n -19 -4 0 775.995 761.595 2\r\n 19 -4 0 174.704 837.658 4\r\n -19 4 0 557.160 848.200 6\r\n 19 4 0-348.251 1344.94 4\r\n -19 4 -1 945.427 963.050 3\r\n -19 -4 1 3152.85 1020.88 2\r\n 19 -4 -1 1231.07 858.117 4\r\n -19 4 -1 1128.21 999.857 6\r\n 19 4 1 676.380 1229.94 4\r\n -19 4 -2 38.1906 877.399 3\r\n -19 -4 2 2218.90 1169.78 2\r\n -19 4 -2 3674.15 1253.24 6\r\n 19 -4 -2 1816.09 702.004 4\r\n 19 4 2 3589.05 1351.40 4\r\n -19 -4 3 4037.28 1394.59 2\r\n -19 4 -3 6351.73 2198.43 3\r\n 19 -4 -3 4287.65 1394.74 5\r\n -19 4 -3 3443.59 1561.87 6\r\n 19 4 3 5819.23 1622.18 4\r\n -19 -4 4 1816.85 1431.82 2\r\n 19 -4 -4 3811.98 1091.47 5\r\n -19 4 -4 2121.81 1447.78 3\r\n -19 4 -4 1882.63 1269.83 6\r\n 19 4 4 3242.24 1550.55 4\r\n 19 5 -3 3027.02 1134.20 7\r\n 19 -5 3 250.079 838.100 4\r\n -19 5 3 591.689 991.174 6\r\n -19 -5 -2 1832.78 835.741 2\r\n 19 5 -2 3973.08 1430.35 7\r\n 19 -5 2 4194.47 1338.99 4\r\n -19 5 2 4980.56 1468.16 6\r\n -19 -5 -1 3323.18 1157.26 2\r\n 19 -5 1 2626.10 1144.41 4\r\n -19 5 1 5935.13 1894.11 6\r\n 19 5 -1 1742.55 1252.99 4\r\n -19 -5 0 6950.94 1691.14 2\r\n 19 -5 0 6057.69 1422.56 4\r\n 19 5 0 4190.30 1735.23 4\r\n -19 5 -1 3249.25 1538.47 3\r\n -19 -5 1 4788.74 1639.80 2\r\n 19 -5 -1 3644.61 1011.81 4\r\n -19 5 -1 3541.71 1400.58 6\r\n 19 5 1 2099.55 1449.26 4\r\n -19 5 -2 3233.98 1755.93 3\r\n -19 -5 2 4301.38 1637.49 2\r\n -19 5 -2 5096.52 1569.08 6\r\n 19 5 2 6144.90 1585.29 4\r\n 19 -5 -3 1609.97 907.149 5\r\n -19 -5 3 2135.56 1285.58 2\r\n -19 5 -3-1227.51 1583.54 3\r\n -19 5 -3 457.410 822.872 6\r\n 19 5 3 782.432 893.022 4\r\n 19 -6 2-1656.01 1307.71 4\r\n -19 6 2-614.471 1170.02 6\r\n -19 -6 -1-2264.82 1000.04 2\r\n 19 -6 1 454.962 498.667 4\r\n -19 6 1-2978.44 1529.59 6\r\n -19 6 0 1031.22 1016.83 3\r\n -19 -6 0 865.988 697.789 2\r\n 19 -6 0 2634.44 1051.08 4\r\n -19 6 0 2899.42 1364.14 6\r\n 19 6 0-470.128 1353.99 4\r\n -19 6 -1-2006.53 1381.81 3\r\n -19 -6 1 532.335 1009.37 2\r\n -19 6 -1-2776.98 1372.20 6\r\n 19 6 1 1134.39 990.830 4\r\n -19 6 -2-2423.99 2004.23 3\r\n -19 -6 2-2883.47 1733.62 2\r\n -19 6 -2-2533.43 1489.99 6\r\n 19 6 2-2972.27 1798.51 4\r\n 20 0 0 9071.80 1421.82 7\r\n -20 0 0 11614.6 1744.82 2\r\n 20 0 0 9309.55 1664.04 4\r\n -20 0 0 8919.41 1801.87 6\r\n -20 0 -1 1288.86 781.621 2\r\n 20 0 -1 1498.44 763.278 7\r\n 20 0 1 1086.83 916.202 4\r\n -20 0 1-82.7173 849.088 2\r\n 20 0 -1 534.422 767.047 4\r\n -20 0 -1-4.26969 579.545 6\r\n 20 0 -2 5342.03 1304.91 7\r\n 20 0 2 5624.40 1399.29 4\r\n -20 0 -2 5982.68 1301.15 6\r\n -20 0 2 5383.25 1504.00 2\r\n 20 0 -2 7225.51 1534.45 4\r\n -20 0 -3-166.072 1179.98 3\r\n 20 0 -3-286.830 572.430 5\r\n 20 0 -3 1039.12 843.725 7\r\n 20 0 3 1476.14 1203.65 4\r\n -20 0 -3 413.069 799.031 6\r\n -20 0 3 204.437 1017.46 2\r\n 20 0 -3 868.026 851.378 4\r\n 20 0 -4 3286.90 1055.73 5\r\n -20 0 -4 4907.27 2378.56 3\r\n 20 0 -4 4618.99 1556.10 7\r\n 20 0 4 3813.34 1342.40 4\r\n -20 0 -4 3297.29 1036.69 6\r\n -20 0 4 3196.75 1186.12 2\r\n -20 0 -5 2675.58 1899.28 3\r\n 20 0 -5 1796.81 1039.91 7\r\n 20 0 5 3442.12 1556.45 4\r\n -20 0 5 930.357 931.968 2\r\n -20 -1 -4 4058.72 2236.16 3\r\n 20 1 -4 3374.30 1224.85 7\r\n 20 -1 4 4221.01 1488.76 4\r\n -20 1 4 3595.58 1127.04 2\r\n -20 -1 -3 9669.39 2467.07 3\r\n 20 1 -3 8352.96 1887.90 7\r\n 20 -1 3 8762.25 1898.68 4\r\n -20 -1 -3 7724.26 1605.22 6\r\n -20 1 3 10205.4 1845.10 2\r\n 20 1 -3 9077.41 1162.76 5\r\n 20 1 -3 11526.2 2269.56 4\r\n 20 1 -2 2628.97 967.735 7\r\n 20 -1 2 4480.76 1401.29 4\r\n -20 1 2 4452.15 1234.15 2\r\n -20 -1 -2 4235.88 1305.39 6\r\n 20 1 -2 4539.26 1432.38 4\r\n 20 1 -1 6640.67 1472.24 7\r\n 20 -1 1 5614.08 1366.71 4\r\n -20 1 1 5086.59 1434.31 2\r\n -20 -1 -1 5234.73 1179.22 2\r\n -20 1 1 4423.65 1531.03 6\r\n 20 1 -1 5458.80 1401.93 4\r\n -20 1 0 542.571 724.403 2\r\n 20 -1 0-227.461 677.711 7\r\n 20 -1 0 238.551 559.118 4\r\n 20 1 0 555.282 683.307 4\r\n -20 1 0 1455.30 973.530 6\r\n -20 -1 0-99.8334 1120.99 2\r\n 20 -1 -1 4766.83 1094.30 7\r\n 20 1 1 6107.23 1363.82 4\r\n 20 -1 -1 5615.83 1349.62 4\r\n -20 1 -1 4641.73 1464.12 6\r\n -20 -1 1 5484.38 1391.78 2\r\n 20 -1 -2 3851.37 928.562 7\r\n 20 1 2 6380.96 1601.18 4\r\n -20 1 -2 2728.24 935.504 6\r\n 20 -1 -2 4673.13 1164.59 4\r\n -20 -1 2 4671.32 1342.18 2\r\n -20 1 -3 11937.9 2636.32 3\r\n 20 -1 -3 7737.25 1371.09 5\r\n 20 -1 -3 10215.6 1762.25 7\r\n 20 1 3 8453.16 1836.45 4\r\n -20 1 -3 9308.28 1797.26 6\r\n 20 -1 -3 11839.2 1901.15 4\r\n -20 -1 3 8302.27 1822.69 2\r\n 20 -1 -4 2686.86 939.306 5\r\n -20 1 -4 1519.23 1834.92 3\r\n 20 -1 -4 4378.00 1359.99 7\r\n 20 1 4 3916.41 1438.27 4\r\n -20 1 -4 3317.89 948.825 6\r\n -20 -1 4 2613.44 1153.35 2\r\n -20 -2 -4-1085.12 1603.83 3\r\n 20 2 -4 1226.51 924.683 7\r\n 20 -2 4 384.624 853.353 4\r\n -20 2 4 207.225 357.423 2\r\n -20 2 4 29.8232 211.511 6\r\n -20 -2 -3 2740.91 1388.08 3\r\n 20 2 -3 1364.19 914.276 7\r\n 20 -2 3 1065.74 825.701 4\r\n -20 2 3 1337.85 857.613 2\r\n -20 -2 -3 892.342 607.100 6\r\n -20 2 3-16.7143 681.024 6\r\n 20 2 -2 1959.81 916.380 7\r\n 20 -2 2 234.484 1068.15 4\r\n -20 2 2-242.803 769.006 2\r\n -20 -2 -2 132.222 660.194 2\r\n -20 2 2 31.2923 870.958 6\r\n -20 -2 -2-199.037 976.798 6\r\n 20 2 -2-235.228 1161.97 4\r\n 20 -2 1 11854.0 1784.38 4\r\n 20 -2 1 12426.6 1241.70 7\r\n 20 2 -1 11977.8 1860.99 7\r\n -20 2 1 13104.1 2297.40 6\r\n -20 -2 -1 10403.8 1667.12 2\r\n 20 2 -1 12126.3 2132.48 4\r\n 20 2 0 1903.51 730.170 5\r\n 20 -2 0 2144.64 610.371 7\r\n 20 -2 0 3290.62 1197.97 4\r\n -20 2 0 2961.75 1132.47 6\r\n 20 2 0 3096.47 1253.12 4\r\n -20 -2 0 2847.97 876.817 2\r\n 20 -2 -1 11063.4 1368.75 7\r\n 20 -2 -1 12347.3 1825.81 4\r\n -20 2 -1 10971.1 2005.58 6\r\n 20 2 1 11699.3 2053.37 4\r\n -20 -2 1 13051.2 2040.60 2\r\n -20 -2 2 99.5169 957.463 2\r\n -20 2 -2-1430.50 1587.50 3\r\n 20 -2 -2 1083.47 608.316 7\r\n 20 2 2 327.373 1048.45 4\r\n -20 2 -2 1094.67 574.873 6\r\n 20 -2 -2-1035.57 767.503 4\r\n -20 -2 3-486.373 1240.60 2\r\n -20 2 -3 1887.82 1032.17 3\r\n 20 -2 -3 2539.52 878.317 5\r\n 20 -2 -3 1895.59 694.221 7\r\n 20 2 3 736.795 849.173 4\r\n -20 2 -3 619.680 1081.78 6\r\n 20 -2 -3 2555.04 1154.94 4\r\n 20 -2 -4-144.767 888.642 5\r\n -20 2 -4 1543.47 1309.03 3\r\n 20 -2 -4-848.827 819.100 7\r\n -20 2 -4-956.220 871.253 6\r\n 20 2 4 1135.55 1031.07 4\r\n -20 -3 -4 1723.16 1826.39 3\r\n 20 3 -4 2207.97 1100.70 7\r\n 20 -3 4 2299.81 1338.39 4\r\n -20 3 4 2021.11 1350.03 6\r\n -20 -3 -3 194.900 1128.01 3\r\n 20 3 -3 926.348 1014.56 7\r\n 20 -3 3 154.373 1173.23 4\r\n -20 3 3 1026.19 909.676 6\r\n -20 -3 -3-1454.22 860.065 6\r\n 20 3 -2 6410.92 1617.66 7\r\n 20 -3 2 6847.03 1646.51 4\r\n -20 3 2 7179.34 1872.63 6\r\n -20 -3 -2 6406.86 1207.77 2\r\n 20 3 -2 9411.94 2125.45 4\r\n 20 3 -1 1162.21 747.885 7\r\n 20 -3 1 83.0750 861.020 4\r\n -20 3 1-1014.83 1115.61 6\r\n 20 3 -1 947.637 968.291 4\r\n -20 -3 -1 2902.07 857.253 2\r\n -20 -3 0-117.546 647.561 2\r\n 20 -3 0-581.661 326.807 7\r\n 20 -3 0 694.033 826.309 4\r\n -20 3 0-1464.60 937.707 6\r\n 20 3 0 31.9881 821.355 4\r\n -20 -3 1 556.238 858.018 2\r\n 20 -3 -1 1100.67 413.959 7\r\n 20 -3 -1 511.995 601.905 4\r\n -20 3 -1 2418.91 1038.90 6\r\n 20 3 1 1525.46 1030.81 4\r\n -20 -3 2 5084.81 1428.76 2\r\n -20 3 -2 3859.69 2023.31 3\r\n 20 -3 -2 6461.33 1144.25 7\r\n -20 3 -2 7677.86 1731.24 6\r\n 20 3 2 6198.10 1720.29 4\r\n 20 -3 -2 7138.81 1373.81 4\r\n -20 -3 3 794.689 825.152 2\r\n -20 3 -3 921.293 1083.47 3\r\n 20 -3 -3 1706.97 859.401 5\r\n 20 -3 -3 760.387 710.640 7\r\n -20 3 -3 356.481 906.521 6\r\n 20 3 3 1414.45 1312.71 4\r\n 20 -3 -3 43.6168 893.366 4\r\n -20 -3 4 4593.70 1675.38 2\r\n 20 -3 -4 3629.40 1054.54 5\r\n -20 3 -4 3801.15 1551.87 3\r\n 20 -3 -4 3001.03 1021.07 7\r\n -20 3 -4-412.224 1114.16 6\r\n 20 3 4 2101.22 1280.15 4\r\n -20 -4 -3 888.875 1374.90 3\r\n 20 4 -3 682.089 992.558 7\r\n 20 -4 3 1365.46 1064.34 4\r\n -20 4 3 276.625 949.058 6\r\n 20 4 -2 627.385 834.323 7\r\n 20 -4 2 169.793 932.051 4\r\n -20 4 2 635.266 913.397 6\r\n -20 -4 -2 776.327 571.631 2\r\n -20 -4 -1 1484.04 900.340 2\r\n 20 4 -1 2599.58 1094.18 7\r\n 20 -4 1 2554.78 1172.04 4\r\n -20 4 1 1546.53 1220.18 6\r\n 20 4 -1 997.312 1008.84 4\r\n -20 -4 0 2610.76 1037.89 2\r\n 20 -4 0 1040.27 924.984 4\r\n -20 4 0 2767.21 1440.82 6\r\n 20 4 0 2211.98 1393.80 4\r\n -20 4 -1 3295.48 1457.59 3\r\n -20 -4 1 2991.08 1083.71 2\r\n 20 -4 -1 1732.23 884.829 4\r\n -20 4 -1 1582.48 1100.10 6\r\n 20 4 1 1511.97 929.775 4\r\n -20 -4 2 332.514 703.063 2\r\n -20 4 -2-1334.89 1436.76 3\r\n -20 4 -2 1015.73 1283.80 6\r\n 20 -4 -2 1141.35 666.052 4\r\n -20 -4 3 464.691 1234.86 2\r\n -20 4 -3 4309.31 1750.94 3\r\n 20 -4 -3 918.899 907.264 5\r\n -20 4 -3 2737.62 1408.85 6\r\n 20 4 3 317.363 1422.36 4\r\n -20 -5 -3 4125.21 1912.44 3\r\n 20 5 -3 1857.79 814.121 7\r\n -20 5 3 2848.76 843.495 6\r\n 20 5 -2-1968.49 1189.54 7\r\n 20 -5 2 473.031 716.705 4\r\n -20 5 2-3053.65 1645.80 6\r\n -20 -5 -1 2967.66 1047.32 2\r\n 20 5 -1 2297.69 1307.83 7\r\n 20 -5 1 1518.87 1226.50 4\r\n -20 5 1 1970.23 1283.91 6\r\n 20 5 -1 1582.64 1492.22 4\r\n -20 -5 0 617.699 1022.77 2\r\n 20 -5 0 874.076 437.609 4\r\n -20 5 0-385.792 657.896 6\r\n 20 5 0 34.8193 1093.09 4\r\n -20 5 -1 2266.43 1504.06 3\r\n -20 -5 1 647.867 845.726 2\r\n 20 -5 -1-455.979 987.066 4\r\n -20 5 -1 2046.89 1287.85 6\r\n 20 5 1 2773.65 1505.53 4\r\n -20 5 -2-743.576 1319.42 3\r\n -20 -5 2-655.021 847.766 2\r\n -20 5 -2 383.467 794.395 6\r\n 20 5 2 291.303 1380.82 4\r\n -20 -5 3 1263.49 1069.62 2\r\n 20 -5 -3 1588.75 960.558 5\r\n -20 5 -3 1401.38 1424.33 3\r\n -20 5 -3-1300.40 775.410 6\r\n 20 5 3 293.504 1420.68 4\r\n -20 -6 -1-1098.51 831.114 2\r\n 20 6 -1-667.016 850.204 7\r\n 20 -6 1-634.511 1276.38 4\r\n -20 6 1-393.255 407.580 6\r\n -20 6 0 1843.85 1271.19 3\r\n -20 -6 0 4365.56 1144.16 2\r\n 20 -6 0 3345.06 993.731 4\r\n -20 6 0 2163.11 1210.10 6\r\n 20 6 0 2170.93 1596.25 4\r\n -20 6 -1-1524.99 1479.57 3\r\n -20 -6 1 345.408 418.245 2\r\n -20 6 -1-1068.27 1141.60 6\r\n 21 0 0 130.329 290.316 7\r\n -21 0 0 253.374 433.013 2\r\n 21 0 0-1392.68 918.182 4\r\n -21 0 0 14.4226 739.082 6\r\n -21 0 -1 855.973 768.694 2\r\n 21 0 -1 1370.97 804.580 7\r\n 21 0 1 2072.55 1018.78 4\r\n -21 0 1 1364.99 1037.56 2\r\n 21 0 -1 1743.47 1117.35 4\r\n -21 0 -1 1283.25 738.295 6\r\n 21 0 -2 30.0389 478.399 7\r\n 21 0 2 740.992 987.344 4\r\n -21 0 -2 383.260 672.055 6\r\n -21 0 2-57.3919 1099.43 2\r\n 21 0 -2-171.483 948.651 4\r\n -21 0 -3 5183.70 2100.34 3\r\n 21 0 -3 5775.54 1109.35 5\r\n 21 0 -3 7393.63 1706.41 7\r\n 21 0 3 7786.77 1840.13 4\r\n -21 0 -3 5487.90 1469.65 6\r\n -21 0 3 6268.45 1783.16 2\r\n 21 0 -3 6374.05 1596.18 4\r\n -21 0 -4 2749.16 2345.42 3\r\n 21 0 -4 1540.85 1127.81 7\r\n 21 0 4 1815.38 1459.51 4\r\n -21 0 -4 2140.99 897.595 6\r\n -21 0 4 1722.32 1078.85 2\r\n -21 -1 -4-652.558 2498.31 3\r\n 21 1 -4 456.820 753.256 7\r\n 21 -1 4-73.2636 708.975 4\r\n -21 1 4-2051.06 1311.62 2\r\n 21 1 -3 1250.62 936.492 7\r\n 21 -1 3 1351.61 1051.32 4\r\n -21 1 3-1812.75 1058.13 2\r\n -21 -1 -3-628.529 783.388 6\r\n 21 1 -3-315.588 1160.71 4\r\n 21 1 -2 930.699 762.487 7\r\n 21 -1 2 1251.64 1096.69 4\r\n -21 1 2 429.782 605.720 2\r\n -21 -1 -2 1066.10 923.457 6\r\n -21 1 2 2278.90 953.040 6\r\n 21 1 -2 1546.20 1081.44 4\r\n 21 1 -1 3662.88 1085.86 7\r\n 21 -1 1 2589.33 1200.47 4\r\n -21 1 1 2692.25 1087.39 2\r\n -21 -1 -1 680.966 815.620 2\r\n -21 1 1 2199.24 1165.21 6\r\n -21 -1 -1 2529.95 1053.67 6\r\n 21 1 -1 1968.12 1027.18 4\r\n -21 1 0 420.834 682.712 2\r\n 21 -1 0 485.113 544.765 7\r\n 21 -1 0 922.474 744.749 4\r\n 21 1 0-447.531 614.971 4\r\n -21 1 0 1397.51 695.992 6\r\n -21 -1 0 627.543 694.132 2\r\n 21 -1 -1 1938.36 840.242 7\r\n 21 1 1 3950.23 1284.43 4\r\n 21 -1 -1 1771.99 946.956 4\r\n -21 1 -1 1624.18 1063.07 6\r\n -21 -1 1 2998.13 1173.79 2\r\n 21 -1 -2 2570.67 734.711 7\r\n 21 1 2 894.826 958.114 4\r\n -21 1 -2-131.638 779.246 6\r\n 21 -1 -2-11.2252 906.177 4\r\n -21 -1 2 922.551 890.683 2\r\n -21 1 -3 332.823 1352.10 3\r\n 21 -1 -3 288.277 709.100 5\r\n 21 -1 -3 1540.88 669.272 7\r\n 21 1 3-279.433 1303.04 4\r\n -21 1 -3-2023.72 1149.51 6\r\n -21 -1 3-1998.16 1152.79 2\r\n 21 -1 -3-995.841 940.295 4\r\n 21 -1 -4 902.852 562.376 5\r\n 21 -1 -4 2070.37 825.755 7\r\n -21 1 -4 1340.19 769.001 6\r\n -21 -1 4 2829.19 1043.82 2\r\n -21 -2 -4 3432.31 2265.13 3\r\n 21 2 -4 3165.80 1156.22 7\r\n 21 -2 4-388.525 1129.07 4\r\n -21 2 4 2397.06 852.058 2\r\n -21 2 4 2283.01 1156.90 6\r\n -21 -2 -3-765.126 1598.64 3\r\n 21 2 -3 515.072 744.689 7\r\n 21 -2 3-81.9419 1026.66 4\r\n -21 2 3 1568.63 957.475 2\r\n -21 -2 -3 366.566 403.368 6\r\n -21 2 3-1700.78 1407.80 6\r\n 21 2 -2 4013.23 1211.03 7\r\n 21 -2 2 4274.66 1462.55 4\r\n -21 2 2 6756.73 1652.55 2\r\n -21 -2 -2 7605.87 1288.46 2\r\n -21 2 2 6908.38 1636.85 6\r\n -21 -2 -2 7229.70 1586.00 6\r\n 21 2 -2 5129.71 1605.88 4\r\n 21 -2 1 2371.48 608.233 7\r\n 21 2 -1 2840.23 982.766 7\r\n 21 -2 1 3127.47 1097.80 4\r\n -21 2 1 485.003 1486.15 6\r\n -21 -2 -1 1485.03 863.648 2\r\n 21 2 -1 2109.47 1427.82 4\r\n 21 -2 0 1897.16 651.990 7\r\n 21 -2 0 877.954 799.387 4\r\n -21 2 0 1913.15 1135.00 6\r\n 21 2 0 1421.78 898.145 4\r\n -21 -2 0 511.227 862.551 2\r\n 21 -2 -1 2247.19 631.234 7\r\n 21 -2 -1 2395.36 975.446 4\r\n -21 2 -1 3051.14 1093.91 6\r\n 21 2 1 2117.84 1119.85 4\r\n -21 -2 1 2622.33 1238.82 2\r\n -21 2 -2 2921.07 1867.31 3\r\n 21 -2 -2 5807.19 1222.65 7\r\n 21 2 2 7303.00 1777.29 4\r\n -21 2 -2 5639.27 1472.64 6\r\n 21 -2 -2 4803.71 1198.01 4\r\n -21 -2 2 3615.91 1289.07 2\r\n -21 -2 3-572.266 1336.11 2\r\n -21 2 -3 136.254 1246.65 3\r\n 21 -2 -3 322.490 647.273 5\r\n 21 -2 -3-547.729 896.898 7\r\n 21 2 3-254.790 826.682 4\r\n -21 2 -3 2188.07 1152.08 6\r\n 21 -2 -3 70.9329 897.681 4\r\n -21 -2 4 827.300 1089.69 2\r\n 21 -2 -4 3316.83 946.047 5\r\n -21 2 -4 43.7140 1987.47 3\r\n 21 -2 -4 4816.89 1149.08 7\r\n -21 2 -4-736.576 981.580 6\r\n 21 2 4-58.0793 1365.87 4\r\n -21 -3 -3 2238.51 1801.46 3\r\n 21 3 -3 2742.41 1229.51 7\r\n 21 -3 3 1935.18 1209.19 4\r\n -21 3 3 4392.44 1282.33 6\r\n -21 -3 -3 2463.79 899.555 6\r\n 21 3 -2 447.155 843.970 7\r\n 21 -3 2-1486.83 1129.08 4\r\n -21 -3 -2 1794.69 789.856 2\r\n -21 3 2-827.997 1461.47 6\r\n 21 3 -2-2033.81 1125.46 4\r\n 21 3 -1 4704.88 1248.63 7\r\n 21 -3 1 5530.62 1430.69 4\r\n -21 3 1 7258.19 1703.83 6\r\n 21 3 -1 7459.61 2070.98 4\r\n -21 -3 -1 5607.43 1368.99 2\r\n 21 -3 0 3280.93 1163.15 4\r\n -21 3 0 5053.81 1487.80 6\r\n 21 3 0 3221.99 1368.47 4\r\n -21 -3 0 4073.32 1296.35 2\r\n -21 -3 1 6590.67 1626.94 2\r\n 21 -3 -1 5763.02 1318.22 4\r\n -21 3 -1 4884.15 1538.29 6\r\n 21 3 1 4867.57 1636.24 4\r\n -21 -3 2-84.7979 827.097 2\r\n -21 3 -2 1034.33 965.456 3\r\n 21 -3 -2 1295.84 474.099 7\r\n -21 3 -2 2958.15 1048.97 6\r\n 21 3 2 1342.32 1276.22 4\r\n 21 -3 -2-133.164 1014.28 4\r\n -21 -3 3 2608.06 1160.45 2\r\n -21 3 -3 3325.84 2027.55 3\r\n 21 -3 -3 3025.98 1200.82 5\r\n 21 -3 -3 2789.64 796.112 7\r\n -21 3 -3 1211.17 1397.93 6\r\n 21 3 3 1186.78 986.367 4\r\n -21 -4 -3 917.526 1179.22 3\r\n 21 4 -3 3616.48 1203.03 7\r\n 21 -4 3 617.019 902.061 4\r\n -21 4 3 1068.55 1002.20 6\r\n 21 4 -2 1379.35 1150.51 7\r\n -21 4 2-403.784 704.647 6\r\n -21 -4 -2-1307.31 841.349 2\r\n 21 4 -1 4102.71 1516.31 7\r\n 21 -4 1 3363.16 1140.35 4\r\n -21 4 1 4531.91 1341.93 6\r\n 21 4 -1 3869.70 1433.02 4\r\n -21 -4 -1 1167.57 934.889 2\r\n -21 -4 0 504.679 755.691 2\r\n 21 -4 0 314.790 654.193 4\r\n -21 4 0-1456.91 1267.07 6\r\n 21 4 0-620.867 997.818 4\r\n -21 4 -1 637.028 1054.10 3\r\n -21 -4 1 3574.82 1315.98 2\r\n 21 -4 -1 3091.08 1052.90 4\r\n -21 4 -1 887.296 1311.76 6\r\n 21 4 1 2335.92 1193.35 4\r\n -21 -4 2 693.245 899.902 2\r\n -21 4 -2 613.557 1264.32 3\r\n -21 4 -2 826.287 885.672 6\r\n 21 -4 -2 270.031 594.556 4\r\n 21 4 2 465.361 1099.14 4\r\n -21 -4 3 1833.71 964.243 2\r\n -21 4 -3 1097.82 1707.86 3\r\n 21 -4 -3 352.838 1224.01 5\r\n -21 4 -3 1347.16 1073.04 6\r\n 21 4 3 1988.61 1015.07 4\r\n 21 -5 2-171.351 793.671 4\r\n -21 5 2-1481.13 1135.70 6\r\n -21 -5 -1-1749.99 1094.29 2\r\n 21 5 -1 994.241 958.048 7\r\n 21 -5 1 531.918 847.509 4\r\n -21 5 1 2471.08 1418.19 6\r\n 21 5 -1-1510.20 1357.63 4\r\n -21 -5 0 1758.21 1115.59 2\r\n 21 -5 0 3361.44 1232.17 4\r\n -21 5 0 2135.18 1417.02 6\r\n 21 5 0 3618.42 1630.77 4\r\n -21 5 -1-2897.58 1503.73 3\r\n -21 -5 1 951.893 912.254 2\r\n 21 -5 -1 1232.42 891.063 4\r\n -21 5 -1-2008.51 1489.22 6\r\n 21 5 1-482.899 1447.22 4\r\n -21 -5 2-546.969 1138.63 2\r\n -21 5 -2-659.265 1457.07 3\r\n -21 5 -2 957.061 864.964 6\r\n 21 5 2 1162.51 1258.14 4\r\n 22 0 0 802.827 621.648 7\r\n -22 0 0 708.983 632.747 2\r\n 22 0 0-377.633 771.122 4\r\n -22 0 0 306.868 730.248 6\r\n 22 0 -1 6924.20 1331.40 7\r\n 22 0 1 5888.45 1674.30 4\r\n -22 0 1 6712.57 1712.78 2\r\n -22 0 -1 7506.02 1542.21 6\r\n 22 0 -1 6319.40 1499.83 4\r\n 22 0 -2 2742.22 1030.76 7\r\n 22 0 2 2035.14 1054.34 4\r\n -22 0 -2 1071.51 1131.51 6\r\n -22 0 2 2277.27 1310.68 2\r\n 22 0 -2 2678.38 1328.90 4\r\n -22 0 -3 1752.39 1719.19 3\r\n 22 0 -3 3930.50 938.697 5\r\n 22 0 -3 715.740 1022.35 7\r\n 22 0 3 3583.22 1373.66 4\r\n -22 0 -3 1182.66 1019.19 6\r\n -22 0 3 2614.07 1132.74 2\r\n 22 0 -3 2142.00 1277.68 4\r\n -22 0 -4 282.461 2578.49 3\r\n 22 0 -4 607.381 1030.62 7\r\n 22 0 4 1084.20 1528.79 4\r\n -22 0 4 6129.57 1461.54 2\r\n 22 1 -4 1214.42 1059.36 7\r\n 22 -1 4 3385.08 1248.39 4\r\n -22 1 4 686.554 786.000 2\r\n -22 -1 -3-206.552 1490.55 3\r\n 22 1 -3 893.319 1165.18 7\r\n 22 -1 3 1916.85 1248.19 4\r\n -22 1 3 1557.08 738.697 2\r\n -22 -1 -3 839.797 917.010 6\r\n 22 1 -3 1230.00 987.944 4\r\n 22 1 -2 2621.13 970.359 7\r\n 22 -1 2 286.492 1066.97 4\r\n -22 1 2 1800.27 891.889 2\r\n -22 -1 -2 2794.38 1328.01 6\r\n -22 1 2 104.156 760.771 6\r\n 22 1 -2 948.208 1154.67 4\r\n 22 1 -1-1159.26 850.229 7\r\n -22 1 1-573.261 649.011 2\r\n 22 -1 1 1257.09 905.340 4\r\n -22 -1 -1 152.416 602.590 2\r\n -22 1 1-1129.45 1005.02 6\r\n -22 -1 -1 944.950 990.483 6\r\n 22 1 -1 1099.30 1057.96 4\r\n 22 -1 0 1180.84 686.416 7\r\n 22 -1 0 722.517 726.651 4\r\n -22 -1 0 1263.92 1064.99 2\r\n 22 1 0 541.536 970.455 4\r\n -22 1 0-233.394 801.803 6\r\n 22 -1 -1-45.3401 489.979 7\r\n 22 1 1 642.773 1158.96 4\r\n -22 1 -1-988.853 783.865 6\r\n 22 -1 -1-58.3877 919.723 4\r\n -22 -1 1 440.509 928.389 2\r\n 22 -1 -2 78.5611 680.548 7\r\n 22 1 2 4012.53 1299.60 4\r\n -22 1 -2 1121.22 1053.21 6\r\n 22 -1 -2 2781.29 1008.29 4\r\n -22 -1 2 2251.91 1182.03 2\r\n -22 1 -2 2173.82 1342.94 3\r\n -22 1 -3-1576.40 1547.77 3\r\n 22 -1 -3 2876.70 761.935 5\r\n 22 -1 -3 1126.64 831.692 7\r\n 22 1 3 2017.99 1252.04 4\r\n -22 1 -3 1459.71 1012.67 6\r\n -22 -1 3 1389.22 1037.74 2\r\n 22 -1 -3 1763.71 1054.09 4\r\n 22 -1 -4 1186.41 520.346 5\r\n -22 1 -4 1359.01 1307.85 3\r\n 22 -1 -4 138.658 632.168 7\r\n 22 1 4 3007.55 1046.74 4\r\n -22 1 -4 2889.46 991.449 6\r\n -22 -1 4 950.189 688.253 2\r\n -22 -2 -3-623.840 1630.86 3\r\n 22 2 -3-257.561 937.851 7\r\n 22 -2 3 70.7048 1165.86 4\r\n -22 2 3 1259.30 1145.70 2\r\n -22 -2 -3 1714.31 938.087 6\r\n -22 2 3 2139.03 990.505 6\r\n -22 2 2-1759.56 1371.72 2\r\n 22 2 -2-339.898 1028.07 7\r\n 22 -2 2-607.388 946.988 4\r\n -22 -2 -2 317.641 740.614 2\r\n -22 2 2 1799.56 902.143 6\r\n -22 -2 -2-1374.45 918.119 6\r\n 22 2 -2 1230.26 1029.09 4\r\n 22 -2 1 1545.17 510.298 7\r\n 22 2 -1 871.797 955.475 7\r\n 22 -2 1 1004.03 858.876 4\r\n -22 -2 -1 306.554 720.214 2\r\n -22 2 1 1346.31 1141.12 6\r\n 22 2 -1 1376.24 989.511 4\r\n 22 -2 0 863.875 477.924 7\r\n 22 -2 0 583.242 855.695 4\r\n -22 2 0-1422.84 1121.09 6\r\n 22 2 0 1506.49 1112.68 4\r\n -22 -2 0 831.662 861.376 2\r\n 22 -2 -1 1538.51 651.703 7\r\n 22 -2 -1 984.233 743.828 4\r\n -22 2 -1 1142.56 634.589 6\r\n 22 2 1 2150.12 1207.13 4\r\n -22 -2 1 957.110 829.483 2\r\n -22 2 -2 477.086 1396.49 3\r\n 22 -2 -2 39.0130 624.961 7\r\n -22 2 -2-77.6586 673.010 6\r\n 22 2 2-9.67614 1113.45 4\r\n 22 -2 -2 118.859 505.868 4\r\n -22 -2 2 548.975 901.145 2\r\n -22 2 -3-1196.93 1338.44 3\r\n 22 -2 -3 26.1283 622.751 5\r\n 22 -2 -3-477.761 739.116 7\r\n -22 2 -3 492.706 1126.34 6\r\n 22 2 3 1974.30 1204.63 4\r\n 22 -2 -3 1981.20 1046.23 4\r\n -22 -2 3 1214.98 1166.64 2\r\n -22 -3 -3 2295.32 1568.93 3\r\n 22 3 -3 2922.04 1010.70 7\r\n 22 -3 3 2071.79 1011.75 4\r\n -22 3 3 4303.19 1452.65 6\r\n 22 3 -2 700.095 765.704 7\r\n 22 -3 2 168.719 983.484 4\r\n -22 -3 -2-154.238 809.907 2\r\n -22 3 2-29.8201 1185.47 6\r\n 22 3 -2-60.0408 849.290 4\r\n 22 3 -1 29.3460 900.859 7\r\n 22 -3 1-122.579 729.972 4\r\n -22 3 1-1656.16 1169.61 6\r\n -22 -3 -1 432.679 781.457 2\r\n 22 3 -1 532.919 1008.57 4\r\n 22 -3 0-409.342 783.093 4\r\n -22 3 0 839.050 539.311 6\r\n 22 3 0-1622.20 1175.33 4\r\n -22 -3 0-1097.49 814.990 2\r\n -22 -3 1 704.611 1118.72 2\r\n 22 -3 -1-2392.53 1141.36 4\r\n -22 3 -1-1267.97 993.984 6\r\n 22 3 1-1429.32 1142.02 4\r\n -22 -3 2 203.323 1076.63 2\r\n -22 3 -2 746.722 897.770 3\r\n -22 3 -2 356.841 491.946 6\r\n 22 3 2 1634.10 1111.67 4\r\n 22 -3 -2 837.557 626.909 4\r\n -22 -3 3 213.016 952.758 2\r\n -22 3 -3 2685.78 1424.70 3\r\n 22 -3 -3 3563.62 948.814 5\r\n -22 3 -3 2021.50 1110.37 6\r\n 22 3 3 777.601 1068.02 4\r\n 22 4 -2 38.0330 994.747 7\r\n 22 -4 2-522.700 1357.78 4\r\n -22 4 2-37.6055 930.936 6\r\n 22 4 -2 1040.43 1067.17 4\r\n 22 4 -1 258.699 873.154 7\r\n 22 -4 1-77.6776 1059.52 4\r\n -22 4 1 594.944 675.404 6\r\n 22 4 -1 147.600 978.052 4\r\n -22 -4 -1-2088.53 1042.84 2\r\n -22 -4 0-1631.94 1146.28 2\r\n 22 -4 0 166.930 395.498 4\r\n -22 4 0 384.145 744.909 6\r\n 22 4 0 716.968 1013.00 4\r\n -22 -4 1-753.505 842.955 2\r\n -22 4 -1-415.507 1474.30 3\r\n 22 -4 -1 617.643 908.610 4\r\n -22 4 -1 790.507 1215.81 6\r\n 22 4 1 2217.10 1261.04 4\r\n -22 -4 2 3579.90 1133.38 2\r\n -22 4 -2 1711.93 1403.70 3\r\n -22 4 -2 1320.06 1135.18 6\r\n 22 4 2 1321.67 1301.53 4\r\n -22 -5 -1-1321.37 936.405 2\r\n 22 5 -1 2999.75 1147.35 7\r\n 22 -5 1 956.586 956.618 4\r\n -22 5 1 2537.56 1279.03 6\r\n 22 5 -1-159.388 1251.50 4\r\n -22 -5 0-1311.09 976.562 2\r\n 22 -5 0-1912.41 1168.61 4\r\n -22 5 0-1088.43 998.953 6\r\n 22 5 0-1962.79 1496.57 4\r\n -22 5 -1-1282.29 906.915 3\r\n -22 -5 1-628.650 770.108 2\r\n -22 5 -1 1936.23 786.808 6\r\n 22 5 1 2117.82 1255.69 4\r\n 23 0 0 425.628 668.496 7\r\n -23 0 0 464.535 622.669 2\r\n 23 0 0 405.996 682.953 4\r\n -23 0 0 696.522 854.444 6\r\n 23 0 -1 897.154 656.772 7\r\n 23 0 1 931.073 1193.91 4\r\n -23 0 1 911.066 1026.87 2\r\n -23 0 -1 769.139 812.498 6\r\n 23 0 -1 678.257 948.326 4\r\n 23 0 -2-1479.60 882.470 7\r\n 23 0 2-1398.49 1404.01 4\r\n -23 0 -2-1263.77 977.046 6\r\n -23 0 2-149.771 1145.09 2\r\n 23 0 -2-125.118 657.758 4\r\n -23 0 -3 4632.54 2077.94 3\r\n 23 0 -3 4654.40 1312.52 7\r\n 23 0 3 4661.16 1617.60 4\r\n -23 0 -3 2331.99 1255.67 6\r\n -23 0 3 1446.80 1390.19 2\r\n 23 0 -3 6713.01 1550.35 4\r\n -23 -1 -3 1186.64 1574.45 3\r\n 23 1 -3 1075.52 1157.11 7\r\n 23 -1 3 308.502 1001.35 4\r\n -23 1 3-813.225 1110.35 2\r\n -23 -1 -3 2046.77 806.119 6\r\n -23 1 3 1811.18 952.998 6\r\n 23 1 -3 889.175 1009.30 4\r\n 23 1 -2-273.033 870.401 7\r\n 23 -1 2-38.4892 688.577 4\r\n -23 1 2 472.334 556.285 2\r\n -23 -1 -2 209.735 903.108 6\r\n -23 1 2 159.175 1324.62 6\r\n 23 1 -2 347.387 1245.19 4\r\n 23 1 -1 3675.54 1203.56 7\r\n 23 -1 1 4031.22 990.649 7\r\n -23 1 1 3075.96 1345.92 2\r\n -23 -1 -1 3809.50 1217.29 2\r\n 23 -1 1 2607.10 1388.33 4\r\n -23 1 1 1443.00 1238.80 6\r\n -23 -1 -1 2938.29 1175.00 6\r\n 23 1 -1 3173.08 1335.03 4\r\n 23 -1 0 530.072 535.556 7\r\n 23 1 0-24.3133 468.166 7\r\n 23 -1 0 153.639 706.666 4\r\n -23 -1 0 303.710 618.912 2\r\n 23 1 0-297.228 1032.46 4\r\n -23 1 0-176.498 1098.97 6\r\n 23 -1 -1 3734.95 1099.00 7\r\n 23 1 1 3447.95 1347.00 4\r\n -23 1 -1 3865.57 1316.42 6\r\n 23 -1 -1 3527.48 1329.77 4\r\n -23 -1 1 4974.10 1481.16 2\r\n 23 -1 -2-634.787 706.925 7\r\n 23 1 2 893.336 1181.32 4\r\n -23 1 -2-2318.42 1289.18 6\r\n 23 -1 -2-558.095 782.167 4\r\n -23 -1 2-194.940 970.577 2\r\n -23 1 -2 958.104 1014.81 3\r\n -23 1 -3 1883.84 1736.61 3\r\n 23 -1 -3-1528.46 626.378 5\r\n 23 -1 -3 859.339 892.333 7\r\n 23 1 3 2332.91 1384.70 4\r\n -23 1 -3 3133.89 1227.52 6\r\n -23 -1 3 1750.43 1036.42 2\r\n 23 -1 -3 102.828 876.811 4\r\n -23 -2 -3 1813.37 1447.83 3\r\n 23 2 -3 578.602 1026.03 7\r\n 23 -2 3 1720.26 1057.25 4\r\n -23 2 3-314.810 672.943 2\r\n -23 -2 -3 251.684 294.281 6\r\n -23 2 3-1564.69 1142.04 6\r\n 23 2 -2 2392.17 1187.21 7\r\n 23 -2 2 3284.04 1292.36 4\r\n -23 -2 -2 3469.12 1136.66 2\r\n -23 2 2 4215.67 1844.38 6\r\n -23 -2 -2 3686.68 1190.49 6\r\n 23 2 -2 727.627 989.043 4\r\n 23 2 -1-47.0158 887.936 7\r\n 23 -2 1 2141.60 768.279 4\r\n -23 -2 -1 234.533 718.049 2\r\n -23 2 1 241.013 1031.58 6\r\n 23 2 -1-119.165 718.348 4\r\n 23 -2 0-29.4875 1032.23 4\r\n -23 2 0 594.775 1215.33 6\r\n 23 2 0-308.487 1298.70 4\r\n -23 -2 0 1754.90 1111.46 2\r\n 23 -2 -1 1490.39 493.736 7\r\n 23 -2 -1 1040.87 773.615 4\r\n 23 2 1 1427.10 948.855 4\r\n -23 -2 1 712.988 467.513 2\r\n -23 2 -2 3147.59 1781.05 3\r\n 23 -2 -2 5326.38 1095.99 7\r\n -23 2 -2 2303.12 1384.98 6\r\n 23 2 2 3181.00 1480.77 4\r\n 23 -2 -2 1749.48 1053.50 4\r\n -23 -2 2 4001.05 1391.84 2\r\n -23 2 -3 58.8408 1439.59 3\r\n 23 -2 -3 135.985 775.340 5\r\n 23 -2 -3 834.769 616.802 7\r\n -23 2 -3 759.294 547.249 6\r\n 23 2 3-348.225 1294.61 4\r\n 23 -2 -3-230.265 1098.14 4\r\n -23 -2 3 1525.51 736.901 2\r\n 23 3 -2 252.006 1316.40 7\r\n 23 -3 2 2350.41 1203.70 4\r\n -23 3 2 4333.82 1541.46 6\r\n 23 3 -2 4131.38 1310.89 4\r\n 23 3 -1 2459.56 1124.77 7\r\n 23 -3 1 3734.55 1181.81 4\r\n -23 3 1 1613.94 1421.88 6\r\n -23 -3 -1 2102.71 1223.95 2\r\n 23 3 -1 3056.98 1535.11 4\r\n 23 -3 0 2992.66 1204.11 4\r\n -23 3 0 2541.76 1086.86 6\r\n 23 3 0-416.516 1253.05 4\r\n -23 -3 0 1437.38 1073.23 2\r\n -23 3 -1 2945.06 1385.25 6\r\n 23 -3 -1 3215.77 1226.23 4\r\n 23 3 1 3343.68 1636.47 4\r\n -23 -3 1 6565.21 1452.40 2\r\n -23 -3 2 3078.15 1572.79 2\r\n -23 3 -2 2912.95 1784.36 3\r\n -23 3 -2 752.808 1100.04 6\r\n 23 3 2 2179.33 1316.00 4\r\n 23 -3 -2 2101.13 1031.39 4\r\n 23 4 -2 1264.65 833.778 7\r\n 23 -4 2 1860.84 828.187 4\r\n -23 4 2 780.041 642.617 6\r\n 23 4 -2 1032.39 1204.94 4\r\n 23 4 -1 363.626 977.114 7\r\n 23 -4 1 2818.76 1082.95 4\r\n -23 4 1 2305.66 1184.86 6\r\n -23 -4 -1-24.4480 308.686 2\r\n 23 4 -1 1750.30 1236.77 4\r\n -23 -4 0-97.3684 669.813 2\r\n 23 -4 0-605.785 828.281 4\r\n -23 4 0-930.190 1175.01 6\r\n 23 4 0-1552.62 1215.54 4\r\n -23 -4 1 956.525 731.592 2\r\n -23 4 -1-504.867 1914.93 3\r\n -23 4 -1 497.978 517.060 6\r\n 23 -4 -1 269.008 449.280 4\r\n 23 4 1 1173.18 1253.67 4\r\n -23 -4 2-1455.04 1169.54 2\r\n -23 4 -2-2039.16 1346.01 3\r\n -23 4 -2 721.653 539.593 6\r\n 23 4 2 721.205 1424.55 4\r\n 24 0 0 810.752 785.540 7\r\n -24 0 0-1892.05 1240.84 2\r\n 24 0 0 482.207 1013.67 4\r\n -24 0 0 1801.88 1042.34 6\r\n 24 0 -1 10025.9 1587.39 7\r\n 24 0 1 9820.84 1926.40 4\r\n -24 0 1 10757.8 1973.62 2\r\n -24 0 -1 7747.19 1928.57 6\r\n 24 0 -1 10825.0 2041.07 4\r\n -24 0 1 9524.86 2092.87 6\r\n 24 0 -2 3783.49 1283.16 7\r\n 24 0 2 2479.70 1231.23 4\r\n -24 0 2 5042.92 1679.47 2\r\n -24 0 -2 6242.84 1785.29 6\r\n 24 0 -2 7104.41 1673.04 4\r\n -24 0 -3-763.250 1754.22 3\r\n 24 0 -3 4903.85 1453.55 7\r\n 24 0 3 3957.84 1635.54 4\r\n -24 0 -3 2024.29 1268.57 6\r\n -24 0 3 4685.51 1727.36 2\r\n 24 0 -3 3808.25 1263.55 4\r\n -24 -1 -3 2534.23 1362.64 3\r\n 24 1 -3-221.769 769.418 7\r\n 24 -1 3 1024.92 1086.90 4\r\n -24 1 3-740.488 900.402 2\r\n -24 -1 -3-3059.28 1333.37 6\r\n -24 1 3-48.0706 389.432 6\r\n 24 1 -3 2218.98 1433.62 4\r\n 24 1 -2 3218.56 1124.13 7\r\n 24 -1 2 1941.22 1211.15 4\r\n -24 1 2 674.626 1190.44 2\r\n -24 -1 -2 4409.98 1442.87 6\r\n -24 1 2 4380.93 1665.37 6\r\n 24 1 -2 1841.77 1211.51 4\r\n 24 1 -1 2411.23 796.212 7\r\n 24 -1 1 420.034 401.430 7\r\n -24 1 1 1076.48 843.699 2\r\n -24 -1 -1-921.312 1020.40 2\r\n 24 -1 1 1239.51 1103.51 4\r\n -24 1 1 4004.32 1297.42 6\r\n -24 -1 -1-2218.76 1104.17 6\r\n 24 1 -1-649.983 660.710 4\r\n 24 -1 0 143.651 562.683 7\r\n 24 1 0 97.3935 624.166 7\r\n 24 -1 0 1208.67 1039.96 4\r\n -24 -1 0 994.036 830.939 2\r\n 24 1 0 300.627 1068.24 4\r\n -24 1 0-1584.74 1326.78 6\r\n 24 -1 -1-789.659 686.736 7\r\n 24 1 1-621.843 1381.20 4\r\n -24 1 -1 323.960 554.817 6\r\n 24 -1 -1 119.391 960.915 4\r\n -24 -1 1 547.740 861.594 2\r\n 24 -1 -2 3498.85 1041.31 7\r\n 24 1 2 1420.29 1442.75 4\r\n -24 1 -2 1605.76 1063.30 6\r\n -24 -1 2 1103.80 1428.68 2\r\n 24 -1 -2 2651.51 1189.56 4\r\n -24 1 -2 4712.65 1694.07 3\r\n -24 1 -3 2486.09 1360.48 3\r\n 24 -1 -3 1254.49 594.330 5\r\n 24 -1 -3 1943.84 1220.00 7\r\n 24 1 3 787.183 1207.72 4\r\n -24 1 -3 413.055 1118.85 6\r\n -24 -1 3-1016.73 1151.56 2\r\n 24 -1 -3 1363.87 946.010 4\r\n -24 -2 -2-405.646 706.333 2\r\n 24 2 -2-617.820 821.112 7\r\n 24 -2 2-30.5892 896.156 4\r\n -24 2 2 792.625 678.279 6\r\n -24 -2 -2-241.088 688.263 6\r\n 24 2 -2 1622.07 992.318 4\r\n 24 2 -1 1897.11 1086.53 7\r\n 24 -2 1 3230.25 1293.02 4\r\n -24 -2 -1 4197.11 1088.24 2\r\n -24 2 1 1991.55 1381.02 6\r\n 24 2 -1 3498.52 1484.32 4\r\n 24 -2 0 3972.83 1534.15 4\r\n -24 2 0 5573.96 1735.88 6\r\n -24 -2 0 2531.87 1415.33 2\r\n 24 2 0 4700.95 1399.70 4\r\n -24 2 -1 6228.82 1659.60 6\r\n 24 -2 -1 1976.03 1077.68 4\r\n 24 2 1 2971.31 1415.88 4\r\n -24 -2 1 3902.05 1155.23 2\r\n -24 2 -2-4103.76 2082.39 3\r\n -24 2 -2-522.118 964.959 6\r\n 24 2 2-2235.43 1614.87 4\r\n 24 -2 -2-2278.40 1071.72 4\r\n -24 -2 2-1373.10 1151.66 2\r\n 24 3 -2 4.79142 1130.36 7\r\n 24 -3 2 1253.55 922.446 4\r\n -24 3 2 1300.72 1280.23 6\r\n -24 -3 -2-246.851 660.819 6\r\n 24 3 -2 2874.35 1341.96 4\r\n 24 3 -1-220.260 1115.23 7\r\n 24 -3 1-434.601 861.131 4\r\n -24 3 1-479.427 1228.81 6\r\n -24 -3 -1 3352.81 1090.61 2\r\n 24 3 -1 925.242 1155.36 4\r\n 24 -3 0-456.330 647.929 4\r\n -24 3 0 575.027 863.447 6\r\n 24 3 0-1942.85 1242.76 4\r\n -24 -3 0-1929.02 1212.58 2\r\n -24 3 -1 2564.12 1247.69 6\r\n 24 -3 -1 870.191 762.466 4\r\n 24 3 1-190.573 1147.35 4\r\n -24 -3 1-61.9132 503.041 2\r\n -24 3 -2-2785.54 1430.49 3\r\n -24 3 -2 483.527 881.084 6\r\n 24 3 2-175.696 1291.38 4\r\n 24 -3 -2-1144.97 877.733 4\r\n -24 -3 2 1047.67 1226.59 2\r\n 24 -4 0 1979.39 1234.21 4\r\n -24 4 0 766.760 1240.53 6\r\n 24 4 0 1678.67 1596.15 4\r\n -24 -4 0 3311.35 1094.42 2\r\n 25 0 0-753.654 674.989 7\r\n -25 0 0 446.946 1004.96 2\r\n 25 0 0 1137.33 689.770 4\r\n -25 0 0-317.478 671.165 6\r\n 25 0 -1 2316.40 744.983 7\r\n -25 0 1 2085.75 1111.06 2\r\n 25 0 1 2045.63 1126.15 4\r\n -25 0 -1-519.726 1416.16 6\r\n -25 0 1-384.714 1194.69 6\r\n 25 0 -1-194.075 683.040 4\r\n 25 0 -2 1574.33 897.509 7\r\n 25 0 2 2155.85 1277.05 4\r\n -25 0 2 1674.24 986.641 2\r\n -25 0 -2 1790.24 1327.74 6\r\n 25 0 -2 3125.95 1444.31 4\r\n 25 1 -2 542.272 577.416 7\r\n -25 1 2 21.1153 950.071 2\r\n 25 -1 2-464.565 1212.32 4\r\n -25 -1 -2-1589.83 1202.23 6\r\n -25 1 2 2517.96 1196.83 6\r\n 25 1 -2 1015.49 1160.02 4\r\n -25 1 1 352.917 940.736 2\r\n 25 1 -1 1614.49 851.818 7\r\n -25 -1 -1 920.775 989.161 2\r\n 25 -1 1 524.926 1165.02 4\r\n -25 1 1 4584.27 1504.36 6\r\n -25 -1 -1 1229.15 977.822 6\r\n 25 1 -1 2577.57 1006.89 4\r\n 25 1 0-650.967 706.413 7\r\n -25 -1 0-690.250 798.017 2\r\n 25 -1 0 316.564 932.520 4\r\n -25 1 0 1840.23 1267.36 6\r\n 25 1 0-350.208 1262.34 4\r\n -25 -1 0 84.7675 1073.15 6\r\n 25 -1 -1 1047.77 892.942 7\r\n 25 1 1 2110.96 1297.93 4\r\n -25 1 -1 625.072 1072.71 6\r\n -25 -1 1-715.270 1270.01 2\r\n 25 -1 -1-1569.87 1649.02 4\r\n 25 -1 -2 1276.78 652.023 7\r\n 25 1 2 338.863 845.288 4\r\n -25 1 -2 559.420 1208.00 6\r\n -25 -1 2-2408.46 1405.24 2\r\n 25 -1 -2 1469.25 1040.08 4\r\n -25 1 -2-2294.25 1709.87 3\r\n 25 2 -1-1260.98 868.612 7\r\n 25 -2 1 2507.23 1119.54 4\r\n -25 -2 -1 3050.14 863.837 2\r\n -25 2 1 2618.28 1365.58 6\r\n -25 -2 -1 1000.29 756.601 6\r\n 25 2 -1 2289.10 1344.10 4\r\n 25 2 0 212.285 671.782 7\r\n 25 -2 0 968.171 967.722 4\r\n -25 2 0 422.010 484.941 6\r\n 25 2 0-184.243 939.809 4\r\n -25 2 -1 3997.17 1340.14 6\r\n 25 -2 -1 134.945 842.893 4\r\n 25 2 1 1824.22 1316.74 4\r\n -25 -2 1 1811.90 1008.79 2\r\n 25 -3 0-173.252 1208.25 4\r\n -25 3 0-983.789 1535.07 6\r\n 25 3 0-937.674 1729.89 4\r\n -25 -3 0 2087.53 1056.68 2\r\n -26 0 0 2748.76 1109.53 2\r\n 26 0 0 3181.49 997.010 7\r\n 26 0 0 1057.47 1028.08 4\r\n -26 0 0 4597.66 1631.72 6\r\n 26 0 -1 2061.68 1094.34 7\r\n 26 0 1 2056.43 815.460 7\r\n -26 0 1 3619.12 1204.38 2\r\n 26 0 1 2884.10 1409.94 4\r\n -26 0 -1 1549.27 1339.45 6\r\n -26 0 1 1308.48 1090.40 6\r\n 26 0 -1 3036.81 1194.05 4\r\n -26 -1 -1 663.278 1176.77 2\r\n 26 1 -1 1231.52 928.474 7\r\n 26 -1 1 1044.88 817.205 4\r\n -26 1 1 1028.04 1218.45 6\r\n -26 -1 -1 1737.14 1133.54 6\r\n 26 1 -1 2230.28 1328.23 4\r\n 26 1 0-598.694 1117.09 7\r\n -26 -1 0 2335.90 1060.67 2\r\n 26 -1 0 2962.50 916.814 4\r\n -26 1 0 1086.88 944.971 6\r\n 26 1 0-1151.24 1310.86 4\r\n -26 -1 0 909.743 1192.59 6\r\n -26 -1 1 1833.51 1151.73 2\r\n 26 1 1 3697.39 1229.16 4\r\n -26 1 -1 1098.80 930.025 6\r\n 26 -1 -1 2211.39 910.116 4\r\n 0 0 0 0.00 0.00 0\r\nTITL BIM-IV-R_MO in P2(1)2(1)2\r\nREM P2(1)2(1)2 (#18, found as P22(1)2(1) in -cba setting)\r\nCELL 0.71073 21.115285 7.784572 6.134271 90.0000 90.0000 90.0000\r\nZERR 2.00 0.001561 0.000638 0.000451 0.0000 0.0000 0.0000\r\nLATT -1\r\nSYMM -x,-y, z\r\nSYMM -x+1/2, y+1/2,-z\r\nSYMM x+1/2,-y+1/2,-z\r\nSFAC C H N F S\r\nUNIT 44.00 40.00 4.00 4.00 2.00\r\nTREF\r\nHKLF 4\r\nEND\r\n;\r\n_shelx_hkl_checksum 56706\r\n####################################################################### \r\n# \r\n# This file contains crystal structure data downloaded from the \r\n# Cambridge Structural Database (CSD) hosted by the Cambridge \r\n# Crystallographic Data Centre (CCDC).\r\n# \r\n# Full information about CCDC data access policies and citation \r\n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \r\n# \r\n# Audit and citation data items may have been added by the CCDC. \r\n# Please retain this information to preserve the provenance of \r\n# this file and to allow appropriate attribution of the data. \r\n# \r\n#######################################################################\r\n\r\ndata_r080122c\r\n_audit_block_doi 10.5517/ccthsqs\r\n_database_code_depnum_ccdc_archive 'CCDC 759956'\r\nloop_\r\n_citation_id\r\n_citation_doi\r\n_citation_year\r\n1 10.1039/C3NJ40909K 2013\r\n_audit_update_record \r\n;\r\n2009-12-30 deposited with the CCDC.\t2020-08-10 downloaded from the CCDC.\r\n;\r\n#TrackingRef '3.cif'\r\n\r\n\r\n_audit_creation_method SHELXL-97\r\n_chemical_name_systematic \r\n;\r\n?\r\n;\r\n_chemical_name_common ?\r\n_chemical_melting_point ?\r\n_chemical_formula_moiety ?\r\n_chemical_formula_sum 'C30 H20 S2'\r\n_chemical_formula_weight 444.58\r\n\r\nloop_\r\n_atom_type_symbol\r\n_atom_type_description\r\n_atom_type_scat_dispersion_real\r\n_atom_type_scat_dispersion_imag\r\n_atom_type_scat_source\r\nC C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nH H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nS S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\n\r\n_symmetry_cell_setting Monoclinic\r\n_symmetry_space_group_name_H-M P2(1)/c\r\n\r\nloop_\r\n_symmetry_equiv_pos_as_xyz\r\n'x, y, z'\r\n'-x, y+1/2, -z+1/2'\r\n'-x, -y, -z'\r\n'x, -y-1/2, z-1/2'\r\n\r\n_cell_length_a 6.1134(12)\r\n_cell_length_b 12.529(3)\r\n_cell_length_c 14.622(3)\r\n_cell_angle_alpha 90.00\r\n_cell_angle_beta 92.51(3)\r\n_cell_angle_gamma 90.00\r\n_cell_volume 1118.9(4)\r\n_cell_formula_units_Z 2\r\n_cell_measurement_temperature 113(2)\r\n_cell_measurement_reflns_used 3173\r\n_cell_measurement_theta_min 3.228\r\n_cell_measurement_theta_max 27.876\r\n\r\n_exptl_crystal_description ?\r\n_exptl_crystal_colour ?\r\n_exptl_crystal_size_max 0.12\r\n_exptl_crystal_size_mid 0.10\r\n_exptl_crystal_size_min 0.06\r\n_exptl_crystal_density_meas ?\r\n_exptl_crystal_density_diffrn 1.320\r\n_exptl_crystal_density_method 'not measured'\r\n_exptl_crystal_F_000 464\r\n_exptl_absorpt_coefficient_mu 0.254\r\n_exptl_absorpt_correction_type MULTI-SCAN\r\n_exptl_absorpt_correction_T_min 0.9702\r\n_exptl_absorpt_correction_T_max 0.9849\r\n_exptl_absorpt_process_details crystalclear\r\n\r\n_exptl_special_details \r\n;\r\n?\r\n;\r\n\r\n_diffrn_ambient_temperature 113(2)\r\n_diffrn_radiation_wavelength 0.71073\r\n_diffrn_radiation_type MoK\\a\r\n_diffrn_radiation_source 'rotating anode'\r\n_diffrn_radiation_monochromator confocal\r\n_diffrn_measurement_device_type 'rigaku saturn'\r\n_diffrn_measurement_method '\\w scans'\r\n_diffrn_detector_area_resol_mean ?\r\n_diffrn_standards_number 0\r\n_diffrn_standards_interval_count 0\r\n_diffrn_standards_interval_time 0\r\n_diffrn_standards_decay_% 0\r\n_diffrn_reflns_number 11099\r\n_diffrn_reflns_av_R_equivalents 0.0382\r\n_diffrn_reflns_av_sigmaI/netI 0.0251\r\n_diffrn_reflns_limit_h_min -7\r\n_diffrn_reflns_limit_h_max 7\r\n_diffrn_reflns_limit_k_min -14\r\n_diffrn_reflns_limit_k_max 14\r\n_diffrn_reflns_limit_l_min -17\r\n_diffrn_reflns_limit_l_max 17\r\n_diffrn_reflns_theta_min 3.23\r\n_diffrn_reflns_theta_max 25.02\r\n_reflns_number_total 1971\r\n_reflns_number_gt 1790\r\n_reflns_threshold_expression >2sigma(I)\r\n\r\n_computing_data_collection crystalclear\r\n_computing_cell_refinement crystalclear\r\n_computing_data_reduction crystalclear\r\n_computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)'\r\n_computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)'\r\n_computing_molecular_graphics 'Bruker SHELXTL'\r\n_computing_publication_material 'Bruker SHELXTL'\r\n\r\n_refine_special_details \r\n;\r\nRefinement of F^2^ against ALL reflections. The weighted R-factor wR and\r\ngoodness of fit S are based on F^2^, conventional R-factors R are based\r\non F, with F set to zero for negative F^2^. The threshold expression of\r\nF^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is\r\nnot relevant to the choice of reflections for refinement. R-factors based\r\non F^2^ are statistically about twice as large as those based on F, and R-\r\nfactors based on ALL data will be even larger.\r\n;\r\n\r\n_refine_ls_structure_factor_coef Fsqd\r\n_refine_ls_matrix_type full\r\n_refine_ls_weighting_scheme calc\r\n_refine_ls_weighting_details \r\n'calc w=1/[\\s^2^(Fo^2^)+(0.0608P)^2^+0.8557P] where P=(Fo^2^+2Fc^2^)/3'\r\n_atom_sites_solution_primary direct\r\n_atom_sites_solution_secondary difmap\r\n_atom_sites_solution_hydrogens geom\r\n_refine_ls_hydrogen_treatment CONSTR\r\n_refine_ls_extinction_method none\r\n_refine_ls_extinction_coef ?\r\n_refine_ls_number_reflns 1971\r\n_refine_ls_number_parameters 145\r\n_refine_ls_number_restraints 0\r\n_refine_ls_R_factor_all 0.0481\r\n_refine_ls_R_factor_gt 0.0444\r\n_refine_ls_wR_factor_ref 0.1179\r\n_refine_ls_wR_factor_gt 0.1151\r\n_refine_ls_goodness_of_fit_ref 1.103\r\n_refine_ls_restrained_S_all 1.103\r\n_refine_ls_shift/su_max 0.000\r\n_refine_ls_shift/su_mean 0.000\r\n\r\nloop_\r\n_atom_site_label\r\n_atom_site_type_symbol\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_U_iso_or_equiv\r\n_atom_site_adp_type\r\n_atom_site_occupancy\r\n_atom_site_symmetry_multiplicity\r\n_atom_site_calc_flag\r\n_atom_site_refinement_flags\r\n_atom_site_disorder_assembly\r\n_atom_site_disorder_group\r\nS1 S 0.22534(8) 0.53581(4) 0.40313(3) 0.0216(2) Uani 1 1 d . . .\r\nC1 C 0.2657(3) 0.40127(16) 0.43257(14) 0.0207(5) Uani 1 1 d . . .\r\nC2 C 0.4304(3) 0.34219(17) 0.38299(13) 0.0215(5) Uani 1 1 d . . .\r\nC3 C 0.6212(3) 0.39254(18) 0.35633(14) 0.0232(5) Uani 1 1 d . . .\r\nH3 H 0.6457 0.4635 0.3723 0.028 Uiso 1 1 calc R . .\r\nC4 C 0.7740(4) 0.33929(19) 0.30674(14) 0.0277(5) Uani 1 1 d . . .\r\nH4 H 0.9004 0.3742 0.2899 0.033 Uiso 1 1 calc R . .\r\nC5 C 0.7388(4) 0.23372(19) 0.28209(15) 0.0310(5) Uani 1 1 d . . .\r\nH5 H 0.8413 0.1974 0.2487 0.037 Uiso 1 1 calc R . .\r\nC6 C 0.5497(4) 0.18253(18) 0.30750(15) 0.0297(5) Uani 1 1 d . . .\r\nH6 H 0.5262 0.1116 0.2909 0.036 Uiso 1 1 calc R . .\r\nC7 C 0.3956(4) 0.23536(17) 0.35712(15) 0.0256(5) Uani 1 1 d . . .\r\nH7 H 0.2691 0.2002 0.3733 0.031 Uiso 1 1 calc R . .\r\nC8 C 0.1249(3) 0.36778(16) 0.49696(14) 0.0194(4) Uani 1 1 d . . .\r\nC9 C 0.1156(3) 0.25999(16) 0.53958(13) 0.0208(5) Uani 1 1 d . . .\r\nC10 C 0.2961(4) 0.21768(18) 0.58838(14) 0.0256(5) Uani 1 1 d . . .\r\nH10 H 0.4259 0.2564 0.5934 0.031 Uiso 1 1 calc R . .\r\nC11 C 0.2837(4) 0.11852(19) 0.62939(15) 0.0302(5) Uani 1 1 d . . .\r\nH11 H 0.4047 0.0913 0.6624 0.036 Uiso 1 1 calc R . .\r\nC12 C 0.0938(4) 0.05990(18) 0.62164(16) 0.0307(5) Uani 1 1 d . . .\r\nH12 H 0.0870 -0.0073 0.6484 0.037 Uiso 1 1 calc R . .\r\nC13 C -0.0885(4) 0.10163(18) 0.57352(15) 0.0279(5) Uani 1 1 d . . .\r\nH13 H -0.2178 0.0625 0.5686 0.034 Uiso 1 1 calc R . .\r\nC14 C -0.0777(3) 0.20061(17) 0.53320(14) 0.0237(5) Uani 1 1 d . . .\r\nH14 H -0.2002 0.2282 0.5014 0.028 Uiso 1 1 calc R . .\r\nC15 C 0.0176(3) 0.54750(16) 0.47789(14) 0.0204(5) Uani 1 1 d . . .\r\n\r\nloop_\r\n_atom_site_aniso_label\r\n_atom_site_aniso_U_11\r\n_atom_site_aniso_U_22\r\n_atom_site_aniso_U_33\r\n_atom_site_aniso_U_23\r\n_atom_site_aniso_U_13\r\n_atom_site_aniso_U_12\r\nS1 0.0254(3) 0.0195(3) 0.0202(3) 0.00227(19) 0.0029(2) 0.0018(2)\r\nC1 0.0244(11) 0.0188(10) 0.0185(10) 0.0013(8) -0.0020(8) 0.0011(8)\r\nC2 0.0260(11) 0.0232(11) 0.0150(10) 0.0015(8) -0.0037(8) 0.0063(9)\r\nC3 0.0260(11) 0.0250(11) 0.0179(10) 0.0017(8) -0.0040(8) 0.0003(9)\r\nC4 0.0249(11) 0.0378(13) 0.0202(11) 0.0017(9) -0.0011(9) 0.0026(10)\r\nC5 0.0325(13) 0.0377(13) 0.0227(11) -0.0050(10) 0.0002(9) 0.0090(10)\r\nC6 0.0400(13) 0.0234(12) 0.0252(12) -0.0050(9) -0.0028(10) 0.0069(10)\r\nC7 0.0292(12) 0.0234(11) 0.0237(11) 0.0000(9) -0.0033(9) 0.0014(9)\r\nC8 0.0221(10) 0.0158(10) 0.0196(10) -0.0030(8) -0.0054(8) 0.0036(8)\r\nC9 0.0262(11) 0.0196(10) 0.0168(10) -0.0024(8) 0.0017(8) 0.0038(8)\r\nC10 0.0279(11) 0.0245(12) 0.0240(11) 0.0000(9) -0.0035(9) 0.0035(9)\r\nC11 0.0340(13) 0.0308(13) 0.0250(12) 0.0015(10) -0.0052(9) 0.0093(10)\r\nC12 0.0443(14) 0.0222(11) 0.0259(12) 0.0028(9) 0.0053(10) 0.0072(10)\r\nC13 0.0302(12) 0.0258(12) 0.0283(12) -0.0039(9) 0.0060(9) -0.0022(9)\r\nC14 0.0259(11) 0.0222(11) 0.0230(11) -0.0010(9) 0.0005(9) 0.0049(9)\r\nC15 0.0226(11) 0.0211(10) 0.0175(10) 0.0004(8) -0.0003(8) 0.0006(8)\r\n\r\n_geom_special_details \r\n;\r\nAll esds (except the esd in the dihedral angle between two l.s. planes)\r\nare estimated using the full covariance matrix. The cell esds are taken\r\ninto account individually in the estimation of esds in distances, angles\r\nand torsion angles; correlations between esds in cell parameters are only\r\nused when they are defined by crystal symmetry. An approximate (isotropic)\r\ntreatment of cell esds is used for estimating esds involving l.s. planes.\r\n;\r\n\r\nloop_\r\n_geom_bond_atom_site_label_1\r\n_geom_bond_atom_site_label_2\r\n_geom_bond_distance\r\n_geom_bond_site_symmetry_2\r\n_geom_bond_publ_flag\r\nS1 C15 1.718(2) . ?\r\nS1 C1 1.755(2) . ?\r\nC1 C8 1.369(3) . ?\r\nC1 C2 1.467(3) . ?\r\nC2 C3 1.396(3) . ?\r\nC2 C7 1.405(3) . ?\r\nC3 C4 1.380(3) . ?\r\nC3 H3 0.9300 . ?\r\nC4 C5 1.385(3) . ?\r\nC4 H4 0.9300 . ?\r\nC5 C6 1.387(3) . ?\r\nC5 H5 0.9300 . ?\r\nC6 C7 1.383(3) . ?\r\nC6 H6 0.9300 . ?\r\nC7 H7 0.9300 . ?\r\nC8 C15 1.432(3) 3_566 ?\r\nC8 C9 1.490(3) . ?\r\nC9 C10 1.393(3) . ?\r\nC9 C14 1.396(3) . ?\r\nC10 C11 1.383(3) . ?\r\nC10 H10 0.9300 . ?\r\nC11 C12 1.374(3) . ?\r\nC11 H11 0.9300 . ?\r\nC12 C13 1.394(3) . ?\r\nC12 H12 0.9300 . ?\r\nC13 C14 1.376(3) . ?\r\nC13 H13 0.9300 . ?\r\nC14 H14 0.9300 . ?\r\nC15 C15 1.376(4) 3_566 ?\r\nC15 C8 1.431(3) 3_566 ?\r\n\r\nloop_\r\n_geom_angle_atom_site_label_1\r\n_geom_angle_atom_site_label_2\r\n_geom_angle_atom_site_label_3\r\n_geom_angle\r\n_geom_angle_site_symmetry_1\r\n_geom_angle_site_symmetry_3\r\n_geom_angle_publ_flag\r\nC15 S1 C1 91.47(10) . . ?\r\nC8 C1 C2 130.63(19) . . ?\r\nC8 C1 S1 112.17(15) . . ?\r\nC2 C1 S1 117.11(15) . . ?\r\nC3 C2 C7 118.3(2) . . ?\r\nC3 C2 C1 120.66(19) . . ?\r\nC7 C2 C1 121.0(2) . . ?\r\nC4 C3 C2 121.4(2) . . ?\r\nC4 C3 H3 119.3 . . ?\r\nC2 C3 H3 119.3 . . ?\r\nC3 C4 C5 119.8(2) . . ?\r\nC3 C4 H4 120.1 . . ?\r\nC5 C4 H4 120.1 . . ?\r\nC4 C5 C6 119.6(2) . . ?\r\nC4 C5 H5 120.2 . . ?\r\nC6 C5 H5 120.2 . . ?\r\nC7 C6 C5 120.9(2) . . ?\r\nC7 C6 H6 119.5 . . ?\r\nC5 C6 H6 119.5 . . ?\r\nC6 C7 C2 119.9(2) . . ?\r\nC6 C7 H7 120.0 . . ?\r\nC2 C7 H7 120.0 . . ?\r\nC1 C8 C15 110.95(18) . 3_566 ?\r\nC1 C8 C9 127.04(18) . . ?\r\nC15 C8 C9 121.99(18) 3_566 . ?\r\nC10 C9 C14 118.74(19) . . ?\r\nC10 C9 C8 121.03(19) . . ?\r\nC14 C9 C8 120.21(18) . . ?\r\nC11 C10 C9 120.5(2) . . ?\r\nC11 C10 H10 119.8 . . ?\r\nC9 C10 H10 119.8 . . ?\r\nC12 C11 C10 120.4(2) . . ?\r\nC12 C11 H11 119.8 . . ?\r\nC10 C11 H11 119.8 . . ?\r\nC11 C12 C13 119.7(2) . . ?\r\nC11 C12 H12 120.2 . . ?\r\nC13 C12 H12 120.2 . . ?\r\nC14 C13 C12 120.1(2) . . ?\r\nC14 C13 H13 119.9 . . ?\r\nC12 C13 H13 119.9 . . ?\r\nC13 C14 C9 120.5(2) . . ?\r\nC13 C14 H14 119.7 . . ?\r\nC9 C14 H14 119.7 . . ?\r\nC15 C15 C8 114.3(2) 3_566 3_566 ?\r\nC15 C15 S1 111.1(2) 3_566 . ?\r\nC8 C15 S1 134.59(16) 3_566 . ?\r\n\r\nloop_\r\n_geom_torsion_atom_site_label_1\r\n_geom_torsion_atom_site_label_2\r\n_geom_torsion_atom_site_label_3\r\n_geom_torsion_atom_site_label_4\r\n_geom_torsion\r\n_geom_torsion_site_symmetry_1\r\n_geom_torsion_site_symmetry_2\r\n_geom_torsion_site_symmetry_3\r\n_geom_torsion_site_symmetry_4\r\n_geom_torsion_publ_flag\r\nC15 S1 C1 C8 0.01(16) . . . . ?\r\nC15 S1 C1 C2 176.93(16) . . . . ?\r\nC8 C1 C2 C3 -148.4(2) . . . . ?\r\nS1 C1 C2 C3 35.3(2) . . . . ?\r\nC8 C1 C2 C7 34.8(3) . . . . ?\r\nS1 C1 C2 C7 -141.46(17) . . . . ?\r\nC7 C2 C3 C4 -0.7(3) . . . . ?\r\nC1 C2 C3 C4 -177.58(19) . . . . ?\r\nC2 C3 C4 C5 0.3(3) . . . . ?\r\nC3 C4 C5 C6 0.1(3) . . . . ?\r\nC4 C5 C6 C7 0.0(3) . . . . ?\r\nC5 C6 C7 C2 -0.4(3) . . . . ?\r\nC3 C2 C7 C6 0.8(3) . . . . ?\r\nC1 C2 C7 C6 177.63(19) . . . . ?\r\nC2 C1 C8 C15 -176.1(2) . . . 3_566 ?\r\nS1 C1 C8 C15 0.3(2) . . . 3_566 ?\r\nC2 C1 C8 C9 5.2(4) . . . . ?\r\nS1 C1 C8 C9 -178.39(16) . . . . ?\r\nC1 C8 C9 C10 59.3(3) . . . . ?\r\nC15 C8 C9 C10 -119.3(2) 3_566 . . . ?\r\nC1 C8 C9 C14 -122.4(2) . . . . ?\r\nC15 C8 C9 C14 59.0(3) 3_566 . . . ?\r\nC14 C9 C10 C11 0.2(3) . . . . ?\r\nC8 C9 C10 C11 178.52(19) . . . . ?\r\nC9 C10 C11 C12 0.7(3) . . . . ?\r\nC10 C11 C12 C13 -1.2(3) . . . . ?\r\nC11 C12 C13 C14 0.6(3) . . . . ?\r\nC12 C13 C14 C9 0.3(3) . . . . ?\r\nC10 C9 C14 C13 -0.7(3) . . . . ?\r\nC8 C9 C14 C13 -179.06(19) . . . . ?\r\nC1 S1 C15 C15 -0.3(2) . . . 3_566 ?\r\nC1 S1 C15 C8 -179.6(2) . . . 3_566 ?\r\n\r\n_diffrn_measured_fraction_theta_max 0.996\r\n_diffrn_reflns_theta_full 25.02\r\n_diffrn_measured_fraction_theta_full 0.996\r\n_refine_diff_density_max 1.100\r\n_refine_diff_density_min -0.375\r\n_refine_diff_density_rms 0.055\r\n" }, { "path": "doc/index.rst", "content": ".. PyXtal documentation master file, created by\n sphinx-quickstart on Mon Aug 27 10:19:01 2018.\n You can adapt this file completely to your liking, but it should at least\n contain the root `toctree` directive.\n\n.. image:: ../images/512px_type1.png\n :height: 512 px\n :width: 903 px\n :scale: 35 %\n :alt: PyXtal\n :align: center\n\nPyXtal\n============\n\nPyXtal (pronounced ``pie-crystal``) is an open source Python library for the\nab-initio generation of random crystal structures. It has the following features:\n\n- Generation of atomic structures for a given symmetry and stoichiometry (0-3D)\n- Generation of molecular crystals (1-3D) with the support of special Wyckoff positions\n- Internal support of ``cif`` file and many other formats via ``pymatgen`` or ``ASE``\n- Easy access to symmetry information (e.g., Wyckoff, site symmetry and international symbols)\n- X-ray diffraction analysis and its `online application `_\n- Structural manipulation via symmetry relation (both subgroup and supergroup)\n- Geometry optimization from built-in and external optimization methods\n\nThe current version is ``1.1.3`` at `GitHub `_.\nIt is available for use under the MIT license. Expect updates upon request by\n`Qiang Zhu\\'s group `_ at the\nUniversity of North Carolina at Charlotte.\n\nPyXtal is an open source project. You are welcome to contribute it directly via\nthe `GitHub platform `_ or send your\ncomments and suggestions to the `developer `_.\n\n\nA basic tutorial is provided below for common functions. Additionally, \ndocumentation and source code are provided for individual modules.\n\nFor an experienced Python user who are familiar with Jupyter notebook, you are\nalso encouraged to check out the following examples\n\n- `Atomic crystal `_\n- `Molecular crystal `_\n- `XRD `_\n\nTutorial\n========================\n\n.. toctree::\n Installation\n COMMAND_MODE\n Usage\n Symmetry_representation\n Background\n Algorithm\n Settings\n :maxdepth: 2\n\nIndices and tables\n==================\n\n* :ref:`genindex`\n* :ref:`modindex`\n* :ref:`search`\n\nModules\n========================\n\n.. toctree::\n :maxdepth: 4\n\n pyxtal\n" }, { "path": "doc/make.bat", "content": "@ECHO OFF\r\n\r\npushd %~dp0\r\n\r\nREM Command file for Sphinx documentation\r\n\r\nif \"%SPHINXBUILD%\" == \"\" (\r\n\tset SPHINXBUILD=sphinx-build\r\n)\r\nset SOURCEDIR=.\r\nset BUILDDIR=_build\r\nset SPHINXPROJ=PyXtal\r\n\r\nif \"%1\" == \"\" goto help\r\n\r\n%SPHINXBUILD% >NUL 2>NUL\r\nif errorlevel 9009 (\r\n\techo.\r\n\techo.The 'sphinx-build' command was not found. Make sure you have Sphinx\r\n\techo.installed, then set the SPHINXBUILD environment variable to point\r\n\techo.to the full path of the 'sphinx-build' executable. Alternatively you\r\n\techo.may add the Sphinx directory to PATH.\r\n\techo.\r\n\techo.If you don't have Sphinx installed, grab it from\r\n\techo.http://sphinx-doc.org/\r\n\texit /b 1\r\n)\r\n\r\n%SPHINXBUILD% -M %1 %SOURCEDIR% %BUILDDIR% %SPHINXOPTS%\r\ngoto end\r\n\r\n:help\r\n%SPHINXBUILD% -M help %SOURCEDIR% %BUILDDIR% %SPHINXOPTS%\r\n\r\n:end\r\npopd\r\n" }, { "path": "doc/modules.rst", "content": "pyxtal\n======\n\n.. toctree::\n :maxdepth: 4\n\n pyxtal\n" }, { "path": "doc/pyxtal.XRD.rst", "content": "pyxtal.XRD module\n=================\n\n.. automodule:: pyxtal.XRD\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.block_crystal.rst", "content": "pyxtal.block\\_crystal module\n============================\n\n.. automodule:: pyxtal.block_crystal\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.constants.rst", "content": "pyxtal.constants module\n=======================\n\n.. automodule:: pyxtal.constants\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.crystal.rst", "content": "pyxtal.crystal module\n=====================\n\n.. automodule:: pyxtal.crystal\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.database.cifs.rst", "content": "pyxtal.database.cifs package\n============================\n\n.. automodule:: pyxtal.database.cifs\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.database.collection.rst", "content": "pyxtal.database.collection module\n=================================\n\n.. automodule:: pyxtal.database.collection\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.database.element.rst", "content": "pyxtal.database.element module\n==============================\n\n.. automodule:: pyxtal.database.element\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.database.rst", "content": "pyxtal.database package\n=======================\n\n.. automodule:: pyxtal.database\n :members:\n :undoc-members:\n :show-inheritance:\n\nSubpackages\n-----------\n\n.. toctree::\n :maxdepth: 4\n\n pyxtal.database.cifs\n\nSubmodules\n----------\n\n.. toctree::\n :maxdepth: 4\n\n pyxtal.database.collection\n pyxtal.database.element\n" }, { "path": "doc/pyxtal.db.rst", "content": "pyxtal.db module\n================\n\n.. automodule:: pyxtal.db\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.descriptor.rst", "content": "pyxtal.descriptor module\n========================\n\n.. automodule:: pyxtal.descriptor\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.elasticity.rst", "content": "pyxtal.elasticity module\n========================\n\n.. automodule:: pyxtal.elasticity\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.interface.LJ.rst", "content": "pyxtal.interface.LJ module\n==========================\n\n.. automodule:: pyxtal.interface.LJ\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.interface.ase_opt.rst", "content": "pyxtal.interface.ase_opt module\n===============================\n\n.. automodule:: pyxtal.interface.ase_opt\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.interface.charmm.rst", "content": "pyxtal.interface.charmm module\n==============================\n\n.. automodule:: pyxtal.interface.charmm\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.interface.dftb.rst", "content": "pyxtal.interface.dftb module\n============================\n\n.. automodule:: pyxtal.interface.dftb\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.interface.gulp.rst", "content": "pyxtal.interface.gulp module\n============================\n\n.. automodule:: pyxtal.interface.gulp\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.interface.lammpslib.rst", "content": "pyxtal.interface.lammpslib module\n=================================\n\n.. automodule:: pyxtal.interface.lammpslib\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.interface.rst", "content": "pyxtal.interface package\n========================\n\n.. automodule:: pyxtal.interface\n :members:\n :undoc-members:\n :show-inheritance:\n\nSubmodules\n----------\n\n.. toctree::\n :maxdepth: 4\n\n pyxtal.interface.LJ\n pyxtal.interface.ase_opt\n pyxtal.interface.charmm\n pyxtal.interface.dftb\n pyxtal.interface.gulp\n pyxtal.interface.lammpslib\n pyxtal.interface.vasp\n" }, { "path": "doc/pyxtal.interface.vasp.rst", "content": "pyxtal.interface.vasp module\n============================\n\n.. automodule:: pyxtal.interface.vasp\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.io.rst", "content": "pyxtal.io module\n================\n\n.. automodule:: pyxtal.io\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.lattice.rst", "content": "pyxtal.lattice module\n=====================\n\n.. automodule:: pyxtal.lattice\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.lego.SO3.rst", "content": "pyxtal.lego.SO3 module\n==========================\n\n.. automodule:: pyxtal.lego.SO3\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.lego.basinhopping.rst", "content": "pyxtal.lego.basinhopping module\n===============================\n\n.. automodule:: pyxtal.lego.basinhopping\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.lego.builder.rst", "content": "pyxtal.lego.builder module\n==========================\n\n.. automodule:: pyxtal.lego.builder\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.lego.rst", "content": "pyxtal.lego package\n===================\n\n.. automodule:: pyxtal.lego\n :members:\n :undoc-members:\n :show-inheritance:\n\nSubmodules\n----------\n\n.. toctree::\n :maxdepth: 4\n\n pyxtal.lego.builder\n pyxtal.lego.SO3\n pyxtal.lego.basinhopping\n" }, { "path": "doc/pyxtal.molecular_crystal.rst", "content": "pyxtal.molecular\\_crystal module\n================================\n\n.. automodule:: pyxtal.molecular_crystal\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.molecule.rst", "content": "pyxtal.molecule module\n======================\n\n.. automodule:: pyxtal.molecule\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.msg.rst", "content": "pyxtal.msg module\n=================\n\n.. automodule:: pyxtal.msg\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.operations.rst", "content": "pyxtal.operations module\n========================\n\n.. automodule:: pyxtal.operations\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.optimize.DFS.rst", "content": "pyxtal.optimize.DFS module\n==========================\n\n.. automodule:: pyxtal.optimize.DFS\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.optimize.QRS.rst", "content": "pyxtal.optimize.QRS module\n==========================\n\n.. automodule:: pyxtal.optimize.QRS\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.optimize.WFS.rst", "content": "pyxtal.optimize.WFS module\n==========================\n\n.. automodule:: pyxtal.optimize.WFS\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.optimize.base.rst", "content": "pyxtal.optimize.base module\n===========================\n\n.. automodule:: pyxtal.optimize.base\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.optimize.benchmark.rst", "content": "pyxtal.optimize.benchmark module\n================================\n\n.. automodule:: pyxtal.optimize.benchmark\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.optimize.common.rst", "content": "pyxtal.optimize.common module\n=============================\n\n.. automodule:: pyxtal.optimize.common\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.optimize.rst", "content": "pyxtal.optimize package\n=======================\n\n.. automodule:: pyxtal.optimize\n :members:\n :undoc-members:\n :show-inheritance:\n\nSubmodules\n----------\n\n.. toctree::\n :maxdepth: 4\n\n pyxtal.optimize.DFS\n pyxtal.optimize.QRS\n pyxtal.optimize.WFS\n pyxtal.optimize.base\n pyxtal.optimize.benchmark\n pyxtal.optimize.common\n" }, { "path": "doc/pyxtal.plane.rst", "content": "pyxtal.plane module\n===================\n\n.. automodule:: pyxtal.plane\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.potentials.LJ_cluster.rst", "content": "pyxtal.potentials.LJ\\_cluster module\n====================================\n\n.. automodule:: pyxtal.potentials.LJ_cluster\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.potentials.rst", "content": "pyxtal.potentials package\n=========================\n\n.. automodule:: pyxtal.potentials\n :members:\n :undoc-members:\n :show-inheritance:\n\nSubmodules\n----------\n\n.. toctree::\n :maxdepth: 4\n\n pyxtal.potentials.LJ_cluster\n" }, { "path": "doc/pyxtal.representation.rst", "content": "pyxtal.representation module\n============================\n\n.. automodule:: pyxtal.representation\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.rst", "content": "pyxtal package\n==============\n\n.. automodule:: pyxtal\n :members:\n :undoc-members:\n :show-inheritance:\n\nSubpackages\n-----------\n\n.. toctree::\n :maxdepth: 4\n\n pyxtal.database\n pyxtal.interface\n pyxtal.lego\n pyxtal.optimize\n pyxtal.potentials\n\nSubmodules\n----------\n\n.. toctree::\n :maxdepth: 4\n\n pyxtal.XRD\n pyxtal.block_crystal\n pyxtal.constants\n pyxtal.crystal\n pyxtal.db\n pyxtal.descriptor\n pyxtal.elasticity\n pyxtal.io\n pyxtal.lattice\n pyxtal.molecular_crystal\n pyxtal.molecule\n pyxtal.msg\n pyxtal.operations\n pyxtal.plane\n pyxtal.representation\n pyxtal.supergroup\n pyxtal.symmetry\n pyxtal.tolerance\n pyxtal.util\n pyxtal.version\n pyxtal.viz\n pyxtal.wyckoff_site\n pyxtal.wyckoff_split\n" }, { "path": "doc/pyxtal.supergroup.rst", "content": "pyxtal.supergroup module\n========================\n\n.. automodule:: pyxtal.supergroup\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.symmetry.rst", "content": "pyxtal.symmetry module\n======================\n\n.. automodule:: pyxtal.symmetry\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.tolerance.rst", "content": "pyxtal.tolerance module\n=======================\n\n.. automodule:: pyxtal.tolerance\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.util.rst", "content": "pyxtal.util module\n==================\n\n.. automodule:: pyxtal.util\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.version.rst", "content": "pyxtal.version module\n=====================\n\n.. automodule:: pyxtal.version\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.viz.rst", "content": "pyxtal.viz module\n=================\n\n.. automodule:: pyxtal.viz\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.wyckoff_site.rst", "content": "pyxtal.wyckoff\\_site module\n===========================\n\n.. automodule:: pyxtal.wyckoff_site\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/pyxtal.wyckoff_split.rst", "content": "pyxtal.wyckoff\\_split module\n============================\n\n.. automodule:: pyxtal.wyckoff_split\n :members:\n :undoc-members:\n :show-inheritance:\n" }, { "path": "doc/requirements.txt", "content": "pyxtal>=1.0.0\nspglib>=1.10.4\npymatgen>=2023.2.28\npandas>=2.0.2\nnetworkx>=2.3\nscipy>=1.7.3\nimportlib_metadata>=1.4\nase>=3.18.0\nsphinx_rtd_theme\npyocse>=0.1.1\ntoml\nmace\n" }, { "path": "examples/README.md", "content": "# This is a collections of examples and tutorials to demonstrate how to use PyXtal\n```\n├── README.md\n├── example_01_3D_VASP.py \n├── example_02_LJ_cluster.py\n├── example_03_LJ_optalg.py\n├── example_04_LJ_38.py\n├── example_05_LJ_4D.py\n├── example_06_C_2D_lammps.py\n├── example_07_3D_ICE_lammps.py\n└── tutorials_notebook\n ├── 01_atomic_crystals.ipynb\n └── 02_molecular_crystals.ipynb\n```\n\n# Installation\nExamples 06 and 07 require the installation of LAMMPS and GULP as follows\n\n### LAMMPS\ndownload the most recent version of lammps (e.g., `lammps-11Aug17`) from http://lammps.sandia.gov/download.html\n\n```\n$ tar -xf lammps-stable.tar.gz\n$ cd lammps-11Aug17/src\n$ make yes-class2\n$ make yes-kspace\n$ make yes-manybody\n$ make yes-molecule\n$ make yes-python\n$ make yes-rigid\n$ make yes-user-misc\n$ make mpi\n$ make mpi mode=shlib\n```\nIt works up to `LAMMPS (3 Mar 2020)`\nThis should create the file `liblammps_mpi.so` in the src directory, as well as a soft link liblammps.so, which is what the Python wrapper will load by default.\nThen one just need to add the path of src to the `.bashrc` file as follows,\n\n```\nexport LD_LIBRARY_PATH=${LD_LIBRARY_PATH}:/scratch/qzhu/soft/lammps/src #please modify the path if necessary\n```\nthen in lammps/src\n\n```\nmake install-python\n```\n\n### GULP\nDownload GULP from http://gulp.curtin.edu.au/gulp/\nAfter the installation, export the following environment variables\n```\n$ export PATH=/scratch/qzhu/pkgs/gulp-5.2/Src:$PATH\n$ export GULP_LIB=/scratch/qzhu/pkgs/gulp-5.2/Libraries\n```\n\n### Test\nTo test if it works correctly, run the following,\n```\n$ python test_installation.py \nPyXtal: 0.0.9\nase: 3.19.1\nUsing PyXtal to generate structure\nConvert PyXtal structure to ASE\nlaunch the LAMMPS calculator\n-5.348217915131606\nlaunch the GULP calculator\n-5.34821791\n```\n" }, { "path": "examples/example_00_LJ_simple.py", "content": "\"\"\"This script:\n1. Generates random clusters\n2. Performs optimization using the Lennard-Jones potential\n\"\"\"\n\nfrom time import time\n\nimport numpy as np\nfrom scipy.optimize import minimize\nfrom scipy.spatial.distance import pdist\n\n\ndef lennard_jones_potential(pos, dim=3):\n \"\"\"Calculate the total Lennard-Jones potential energy.\n\n Args:\n pos (np.ndarray): 1D array with N*dim numbers representing atomic positions\n dim (int): Dimension of the space (default: 3)\n\n Returns:\n float: Total energy with punishing function\n \"\"\"\n N_atom = len(pos) // dim\n pos = pos.reshape(N_atom, dim)\n\n distance = pdist(pos)\n r6 = distance**6\n r12 = r6**2\n return np.sum(4 * (1 / r12 - 1 / r6))\n\n\ndef lennard_jones_force(pos, dim=3):\n \"\"\"Calculate the Lennard-Jones forces.\n\n Args:\n pos (np.ndarray): 1D array with N*dim numbers representing atomic positions\n dim (int): Dimension of the space (default: 3)\n\n Returns:\n np.ndarray: 1D force array\n \"\"\"\n N_atom = len(pos) // dim\n pos = pos.reshape(N_atom, dim)\n force = np.zeros_like(pos)\n\n for i, pos0 in enumerate(pos):\n pos1 = np.delete(pos, i, axis=0)\n r = pos1 - pos0\n distance = np.linalg.norm(r, axis=1)\n r2 = distance**2\n r6 = r2**3\n r12 = r6**2\n force[i] = np.sum((48 / r12 - 24 / r6)[:, np.newaxis] * r / r2[:, np.newaxis], axis=0)\n\n return force.flatten()\n\n\ndef optimize_cluster(pos):\n \"\"\"Perform optimization for a given cluster.\n\n Args:\n pos (np.ndarray): N*dim array representing atomic positions\n\n Returns:\n tuple: (optimized energy, optimized positions)\n \"\"\"\n pos = pos.flatten()\n res = minimize(lennard_jones_potential, pos, jac=lennard_jones_force, method=\"CG\", tol=1e-3)\n optimized_pos = res.x.reshape(-1, 3)\n optimized_energy = res.fun\n return optimized_energy, optimized_pos\n\n\nif __name__ == \"__main__\":\n N_ATOMS = 38\n BOX_SIZE = 10\n N_ITERATIONS = 20\n\n rng = np.random.default_rng()\n\n for i in range(N_ITERATIONS):\n t0 = time()\n initial_pos = BOX_SIZE * rng.random((N_ATOMS * 3,))\n energy, optimized_pos = optimize_cluster(initial_pos)\n print(f\"Iteration {i}: Energy = {energy:.6f}, Time = {time() - t0:.6f} s\")\n" }, { "path": "examples/example_01_3D_VASP.py", "content": "\"\"\"\nThis script:\n1. Generates random crystal structures\n2. Performs multiple steps of optimization with ASE-VASP\n\nRequirements:\n- ASE must be installed\n- VASP must be callable from ASE\n\"\"\"\n\nimport warnings\nfrom time import time\nfrom typing import TYPE_CHECKING\n\nimport numpy as np\nfrom ase.db import connect\n\nfrom pyxtal import pyxtal\nfrom pyxtal.interface.vasp import optimize\n\nif TYPE_CHECKING:\n from ase.atoms import Atoms\n\nwarnings.filterwarnings(\"ignore\")\n\nN_STRUCTURES: int = 10\nELEMENTS: dict[str, list[int]] = {\"C\": [2, 4]}\nOPTIMIZATION_LEVELS: list[int] = [0, 2] # Add 3 if needed\nCALCULATION_DIR: str = \"Calc\"\nDB_FILENAME: str = \"C-VASP.db\"\n\nrng = np.random.default_rng()\n\n\ndef generate_random_crystal() -> pyxtal:\n \"\"\"Generate a random crystal structure.\"\"\"\n while True:\n sg = rng.integers(2, 230)\n species = []\n num_ions = []\n for ele, count in ELEMENTS.items():\n species.append(ele)\n if len(count) == 2:\n num = rng.integers(count[0], count[1])\n num_ions.append(num)\n else:\n num_ions.append(count[0])\n\n crystal = pyxtal()\n try:\n crystal.from_random(3, sg, species, num_ions, force_pass=True)\n except pyxtal.msg.Comp_CompatibilityError:\n continue\n\n if crystal.valid:\n return crystal\n\n\ndef optimize_and_save(crystal: pyxtal, index: int) -> None:\n \"\"\"Optimize the crystal structure and save results to database.\"\"\"\n struc, energy, cputime, error = optimize(crystal, path=CALCULATION_DIR, levels=OPTIMIZATION_LEVELS)\n\n if not error:\n ase_atoms: Atoms = struc.to_ase()\n energy_per_atom = energy / len(ase_atoms)\n cputime_minutes = cputime / 60.0\n\n with connect(DB_FILENAME) as db:\n kvp = {\n \"spg\": struc.group.symbol,\n \"dft_energy\": energy_per_atom,\n }\n db.write(ase_atoms, key_value_pairs=kvp)\n\n print(\n f\"{index:3d} {crystal.group.symbol:12s} -> {struc.group.symbol:12s}\"\n f\" {energy_per_atom:6.3f} eV/atom {cputime_minutes:6.2f} min\"\n )\n\n\ndef main() -> None:\n \"\"\"Main function to generate and optimize crystal structures.\"\"\"\n for i in range(N_STRUCTURES):\n t0 = time()\n crystal = generate_random_crystal()\n optimize_and_save(crystal, i)\n print(f\"Total time for structure {i}: {time() - t0:.2f} s\")\n\n\nif __name__ == \"__main__\":\n main()\n" }, { "path": "examples/example_02_LJ_cluster.py", "content": "\"\"\"This is a script to:\n1, generate random clusters.\n2, perform optimization.\n3, compare the efficiency of different algos (CG, BFGS).\n\"\"\"\n\nimport logging\nimport warnings\nfrom optparse import OptionParser\n\nimport numpy as np\n\nfrom pyxtal import pyxtal\nfrom pyxtal.database.collection import Collection\nfrom pyxtal.optimize.myscipy_optimize import (\n _minimize_bfgs,\n _minimize_cg,\n _minimize_tpgd,\n)\nfrom pyxtal.potentials.LJ_cluster import LJ, LJ_force\n\nwarnings.filterwarnings(\"ignore\")\nlogging.basicConfig(format=\"%(asctime)s :: %(message)s\", filename=\"results.log\", level=logging.INFO)\n\n\ndef single_optimize(pos, dim=3, kt=0.5, mu=0.1, beta=1.001, shift=False, method=\"mycg\"):\n \"\"\"Perform optimization for a given cluster.\n\n Args:\n pos: N*dim0 array representing the atomic positions\n dim: dimension of the hyper/normal space\n kt: perturbation factors\n mu: the weight for the punishing function\n beta: the factor for the punishing function\n shift: whether to shift the cluster to the center\n method: the optimization method\n\n output:\n energy: optmized energy\n pos: optimized positions\n niter: number of iterations\n \"\"\"\n N_atom = len(pos)\n pos = pos.flatten()\n res = _minimize_tpgd(LJ, pos, args=(dim, mu, shift), jac=LJ_force, beta=beta, gtol=1e-4, maxiter=50)\n niter = res.nit\n pos = res.x\n if method == \"mycg\":\n res = _minimize_cg(LJ, pos, args=(dim, mu, shift), jac=LJ_force, beta=beta, gtol=1e-4)\n elif method == \"mybfgs\":\n res = _minimize_bfgs(LJ, pos, args=(dim, mu, shift), jac=LJ_force, beta=beta, gtol=1e-4)\n elif method == \"mytpgd\":\n res = _minimize_tpgd(LJ, pos, args=(dim, mu, shift), jac=LJ_force, beta=beta, gtol=1e-4)\n niter += res.nit\n energy = res.fun\n pos = np.reshape(res.x, (N_atom, dim))\n return energy, pos, niter\n\n\nclass LJ_prediction:\n \"\"\"A class to perform global optimization on LJ clusters.\"\"\"\n\n def __init__(self, numIons):\n \"\"\"Initialize the class with the number of ions.\"\"\"\n self.numIons = numIons\n ref = Collection(\"clusters\")[str(numIons)]\n print(f\"\\nReference for LJ {numIons:3d} is {ref[\"energy\"]:12.3f} eV, PG: {ref[\"pointgroup\"]:4s}\")\n\n self.reference = ref\n\n def generate_cluster(self, pgs: tuple[int, int], cluster_factor=0.6, seed=None):\n \"\"\"Generate a random cluster with a given point group and number of ions.\"\"\"\n rng = np.random.default_rng(seed)\n run = True\n while run:\n pg = rng.integers(pgs)\n cluster = pyxtal()\n cluster.from_random(0, pg, [\"H\"], [self.numIons], cluster_factor)\n if cluster.valid:\n run = False\n return cluster._get_coords_and_species(absolute=True)[0]\n\n def predict(self, maxN: int = 100, ncpu: int = 2, pgs: tuple[int, int] = (2, 33)):\n \"\"\"Predict the energy of LJ clusters.\"\"\"\n cycle = range(maxN)\n if ncpu > 1:\n from functools import partial\n from multiprocessing import Pool\n\n with Pool(ncpu) as p:\n func = partial(self.relaxation, pgs)\n res = p.map(func, cycle)\n p.close()\n p.join()\n else:\n res = [self.relaxation(pgs) for _ in cycle]\n\n return res\n\n def relaxation(self, pgs: tuple[int, int], **kwargs):\n \"\"\"Perform relaxation for a given cluster.\"\"\"\n pos = self.generate_cluster(pgs)\n res = []\n for method in [\"mycg\", \"mybfgs\", \"mytpgd\"]:\n pos1 = pos.copy()\n energy1, pos1, it1 = single_optimize(pos1, method=method)\n print(f\"Optmization {method:10s} 3D: {energy1:10.4f} {it1:6d} \")\n res.append([energy1, it1])\n res = np.array(res)\n return res.flatten()\n\n\nif __name__ == \"__main__\":\n # -------------------------------- Options -------------------------\n parser = OptionParser()\n parser.add_option(\n \"-n\",\n \"--numIons\",\n dest=\"numIons\",\n default=16,\n type=int,\n help=\"desired numbers of atoms: 16\",\n )\n parser.add_option(\n \"-m\",\n \"--max\",\n dest=\"max\",\n default=100,\n type=int,\n help=\"maximum number of attempts\",\n )\n parser.add_option(\n \"-p\",\n \"--proc\",\n dest=\"proc\",\n default=1,\n type=int,\n help=\"number of processors, default 1\",\n )\n\n (options, args) = parser.parse_args()\n\n N = options.numIons\n maxN = options.max\n ncpu = options.proc\n\n lj_run = LJ_prediction(N)\n res = lj_run.predict(maxN=maxN, ncpu=ncpu, pgs=[1])\n res = np.array(res)\n eng_min = lj_run.reference[\"energy\"]\n eng_cg3, iter_cg3 = res[:, 0], res[:, 1]\n eng_bf3, iter_bf3 = res[:, 2], res[:, 3]\n eng_gd3, iter_gd3 = res[:, 4], res[:, 5]\n iter_min, iter_max = np.min(res[:, [1, 3, 5]]), np.max(res[:, [1, 3, 5]])\n ground_cg3 = len(eng_cg3[eng_cg3 - 1e-2 < eng_min])\n ground_bf3 = len(eng_bf3[eng_bf3 - 1e-2 < eng_min])\n ground_gd3 = len(eng_gd3[eng_gd3 - 1e-2 < eng_min])\n\n import matplotlib.pyplot as plt\n from matplotlib.gridspec import GridSpec\n\n plt.switch_backend(\"agg\")\n plt.style.use(\"bmh\")\n\n e_max = eng_min * 0.87\n bins_eng = np.linspace(eng_min - 0.1, e_max, 100)\n bins_iter = np.linspace(iter_min, iter_max, 100)\n fig = plt.figure(figsize=(10, 8))\n\n gs = GridSpec(2, 2)\n ax1 = fig.add_subplot(gs[0, 0])\n ax2 = fig.add_subplot(gs[0, 1])\n\n label1 = \"CG: \" + str(ground_cg3) + \"/\" + str(len(eng_cg3))\n label2 = \"BFGS: \" + str(ground_bf3) + \"/\" + str(len(eng_bf3))\n label3 = \"TPGD: \" + str(ground_gd3) + \"/\" + str(len(eng_gd3))\n ax1.hist(eng_cg3, bins_eng, alpha=0.5, label=label1)\n ax1.hist(eng_bf3, bins_eng, alpha=0.5, label=label2)\n ax1.hist(eng_gd3, bins_eng, alpha=0.5, label=label3)\n ax1.set_xlim([eng_min - 0.1, e_max])\n ax1.set_xlabel(\"Energy (eV)\")\n ax1.set_ylabel(\"Counts\")\n ax1.legend()\n\n label1 = \"CG: \" + str(ground_cg3) + \"/\" + str(len(eng_cg3))\n label2 = \"BFGS: \" + str(ground_bf3) + \"/\" + str(len(eng_bf3))\n label3 = \"TPGD: \" + str(ground_gd3) + \"/\" + str(len(eng_gd3))\n ax2.hist(iter_cg3, bins_iter, alpha=0.5, label=label1)\n ax2.hist(iter_bf3, bins_iter, alpha=0.5, label=label2)\n ax2.hist(iter_gd3, bins_iter, alpha=0.5, label=label3)\n ax2.set_xlabel(\"# of iterations\")\n ax2.set_ylabel(\"Counts\")\n ax2.legend()\n\n ax3 = fig.add_subplot(gs[1, 0])\n ax4 = fig.add_subplot(gs[1, 1])\n x = np.linspace(eng_min, e_max, 10)\n\n ax3.plot(x, x, \"k-\", lw=1)\n ax3.scatter(eng_cg3, eng_bf3, c=iter_cg3 - iter_bf3, label=\"CG .v.s BFGS\", s=5)\n ax3.set_xlabel(\"CG (eV)\")\n ax3.set_ylabel(\"BFGS (eV)\")\n ax3.set_xlim([eng_min - 0.1, e_max])\n ax3.set_ylim([eng_min - 0.1, e_max])\n ax3.legend()\n\n ax4.plot(x, x, \"k-\", lw=1)\n ax4.scatter(eng_cg3, eng_gd3, c=iter_cg3 - iter_gd3, label=\"CG .v.s TPGD\", s=5)\n ax4.set_xlabel(\"CG (eV)\")\n ax4.set_ylabel(\"BFGS (eV)\")\n ax4.set_xlim([eng_min - 0.1, e_max])\n ax4.set_ylim([eng_min - 0.1, e_max])\n ax4.legend()\n plt.tight_layout()\n plt.savefig(\"LJ\" + str(N) + \"-\" + str(maxN) + \".png\")\n" }, { "path": "examples/example_03_LJ_optalg.py", "content": "\"\"\"This is a script to:\n1, generate random clusters.\n2, perform optimization.\n3, compare the efficiency of different algos (CG, BFGS).\n\"\"\"\n\nimport logging\nimport warnings\nfrom copy import deepcopy\nfrom optparse import OptionParser\nfrom time import time\n\nimport matplotlib.pyplot as plt\nimport numpy as np\nfrom pymatgen.core import Molecule\nfrom scipy.optimize import minimize\nfrom scipy.spatial.distance import cdist, pdist\n\nfrom pyxtal import pyxtal\nfrom pyxtal.database.collection import Collection\nfrom pyxtal.molecule import PointGroupAnalyzer\n\nplt.switch_backend(\"agg\")\n\nwarnings.filterwarnings(\"ignore\")\nlogging.basicConfig(format=\"%(asctime)s :: %(message)s\", filename=\"results.log\", level=logging.INFO)\nplt.style.use(\"bmh\")\n\n\ndef LJ(pos, dim, mu=0.1):\n \"\"\"Calculate the total energy.\n\n Args:\n pos: 1D array with N*dim numbers representing the atomic positions\n dim: dimension of the hyper/normal space\n mu: the weight for the punishing function\n\n output\n E: the total energy with punishing function\n \"\"\"\n N_atom = int(len(pos) / dim)\n pos = np.reshape(pos, (N_atom, dim))\n\n distance = pdist(pos)\n r6 = np.power(distance, 6)\n r12 = np.multiply(r6, r6)\n Eng = np.sum(4 * (1 / r12 - 1 / r6))\n\n if dim > 3:\n norm = 0\n for i in range(3, dim):\n # diff = pos[:, i] - np.mean(pos[:, i])\n diff = pos[:, i]\n norm += np.sum(np.multiply(diff, diff))\n Eng += 0.5 * mu * norm\n return Eng\n\n\ndef LJ_force(pos, dim, mu=0.1):\n \"\"\"Calculate LJ forces.\"\"\"\n N_atom = int(len(pos) / dim)\n pos = np.reshape(pos, [N_atom, dim])\n force = np.zeros([N_atom, dim])\n for i, pos0 in enumerate(pos):\n pos1 = deepcopy(pos)\n pos1 = np.delete(pos1, i, 0)\n distance = cdist([pos0], pos1)\n r = pos1 - pos0\n r2 = np.power(distance, 2)\n r6 = np.power(r2, 3)\n r12 = np.power(r6, 2)\n force[i] = np.dot((48 / r12 - 24 / r6) / r2, r)\n # force from the punish function mu*sum([x-mean(x)]^2)\n if dim > 3:\n for j in range(3, dim):\n # force[i, j] += mu*(pos[i, j] - np.mean(pos[:, j]))\n force[i, j] += mu * pos[i, j] # - np.mean(pos[:, j]))\n return force.flatten()\n\n\ndef single_optimize(pos, dim=3, kt=0.5, mu=0.1, method=\"CG\", seed=None):\n \"\"\"Perform optimization for a given cluster.\n\n Args:\n pos: N*dim0 array representing the atomic positions\n dim: dimension of the hyper/normal space\n kt: perturbation factors\n mu: the weight for the punishing function\n method: the optimization method\n seed: random seed\n\n output:\n energy: optmized energy\n pos: optimized positions\n \"\"\"\n rng = np.random.default_rng(seed)\n N_atom = len(pos)\n diff = dim - np.shape(pos)[1]\n # if the input pos has less dimensions, we insert a random array for the extra dimension\n # if the input pos has more dimensions, we delete the array for the extra dimension\n if diff > 0:\n pos = np.hstack((pos, 0.5 * (rng.random([N_atom, diff]) - 0.5)))\n elif diff < 0:\n pos = pos[:, :dim]\n\n pos = pos.flatten()\n res = minimize(LJ, pos, args=(dim, mu), jac=LJ_force, method=method, tol=1e-3)\n pos = np.reshape(res.x, (N_atom, dim))\n energy = res.fun\n return energy, pos\n\n\ndef parse_symmetry(pos):\n \"\"\"Parse the symmetry of a cluster.\"\"\"\n mol = Molecule([\"C\"] * len(pos), pos)\n try:\n symbol = PointGroupAnalyzer(mol, tolerance=0.1).sch_symbol\n except Exception:\n symbol = \"N/A\"\n return symbol\n\n\nclass LJ_prediction:\n \"\"\"A class to perform global optimization on LJ clusters.\"\"\"\n\n def __init__(self, numIons):\n \"\"\"Initialize the class with the number of ions.\"\"\"\n self.numIons = numIons\n ref = Collection(\"clusters\")[str(numIons)]\n print(f\"\\nReference for LJ {numIons:3d} is {ref[\"energy\"]:12.3f} eV, PG: {ref[\"pointgroup\"]:4s}\")\n self.reference = ref\n self.time0 = time()\n\n def generate_cluster(self, pgs, cluster_factor=0.7, seed=None):\n \"\"\"Generate a random cluster with a given point group and number of ions.\"\"\"\n rng = np.random.default_rng(seed)\n run = True\n while run:\n pg = rng.integers(pgs)\n cluster = pyxtal()\n cluster.from_random(0, pg, [\"Mo\"], [self.numIons], factor=cluster_factor)\n if cluster.valid:\n run = False\n return cluster._get_coords_and_species(absolute=True)[0]\n\n def predict(self, dim=3, maxN=100, ncpu=2, pgs=(2, 33), method=\"CG\"):\n \"\"\"Predict the energy of LJ clusters.\"\"\"\n print(f\"\\nPerforming random search at {dim:d}D space\\n\")\n cycle = range(maxN)\n if ncpu > 1:\n from functools import partial\n from multiprocessing import Pool\n\n with Pool(ncpu) as p:\n func = partial(self.relaxation, dim, pgs, method)\n res = p.map(func, cycle)\n p.close()\n p.join()\n else:\n res = []\n for i in cycle:\n res.append(self.relaxation(dim, pgs, method, i))\n\n N_success = 0\n for dct in res:\n if dct[\"ground\"]:\n N_success += 1\n print(f\"\\nHit the ground state {N_success:4d} times out of {maxN:4d} attempts\\n\")\n return res\n\n def relaxation(self, dim, pgs, method, ind):\n \"\"\"Perform relaxation for a given cluster.\"\"\"\n pos0 = self.generate_cluster(pgs)\n pg0 = parse_symmetry(pos0)\n pos1 = pos0.copy()\n pos2 = pos0.copy()\n [energy1, pos1] = single_optimize(pos1, 3, method=\"CG\")\n [energy2, pos2] = single_optimize(pos2, 3, method=\"BFGS\")\n ground1, ground2 = False, False\n if abs(energy1 - self.reference[\"energy\"]) < 1e-3:\n ground1 = True\n if abs(energy2 - self.reference[\"energy\"]) < 1e-3:\n ground2 = True\n\n pg1 = parse_symmetry(pos1)\n pg2 = parse_symmetry(pos2)\n res = {\n \"pos\": [pos0, pos1, pos2],\n \"energy\": [energy1, energy2],\n \"pg_init\": pg0,\n \"pg_finial\": [pg1, pg2],\n \"ground\": [ground1, ground2],\n \"id\": ind,\n }\n if ground1 or ground2:\n logging.info(\n f\"ID: {ind:4d} PG initial: {pg0:4s} relaxed: {pg1:4s} {pg2:4s} \"\n f\"Energy: {energy1:9.3f} {energy2:9.3f}++++++++\"\n )\n # elif ind%100 == 0:\n print(f\"ID: {ind:4d} PG initial: {pg0:4s} relaxed: {pg1:4s} {pg2:4s} Energy: {energy1:9.3f} {energy2:9.3f}\")\n return res\n\n\nif __name__ == \"__main__\":\n # -------------------------------- Options -------------------------\n parser = OptionParser()\n parser.add_option(\n \"-d\",\n \"--dimension\",\n dest=\"dim\",\n metavar=\"dim\",\n default=3,\n type=int,\n help=\"dimension, 3 or higher\",\n )\n parser.add_option(\n \"-n\",\n \"--numIons\",\n dest=\"numIons\",\n default=16,\n type=int,\n help=\"desired numbers of atoms: 16\",\n )\n parser.add_option(\n \"-m\",\n \"--max\",\n dest=\"max\",\n default=100,\n type=int,\n help=\"maximum number of attempts\",\n )\n parser.add_option(\n \"-p\",\n \"--proc\",\n dest=\"proc\",\n default=1,\n type=int,\n help=\"number of processors, default 1\",\n )\n parser.add_option(\n \"-f\",\n \"--factor\",\n dest=\"cluster_factor\",\n default=0.7,\n type=float,\n help=\"distance checking factor, default 0.7\",\n )\n parser.add_option(\n \"-v\",\n \"--volume\",\n dest=\"volume_factor\",\n default=1.0,\n type=float,\n help=\"volume factor, default 1.0\",\n )\n\n (options, args) = parser.parse_args()\n\n N = options.numIons # 38\n maxN = options.max # 1000\n dim = options.dim # 4\n ncpu = options.proc\n cluster_factor = options.cluster_factor\n volume_factor = options.volume_factor\n\n lj_run = LJ_prediction(N)\n eng_min = lj_run.reference[\"energy\"]\n t0 = time()\n results1 = lj_run.predict(dim=dim, maxN=maxN, ncpu=ncpu, pgs=[1], method=\"CG\")\n logging.info(\"-------------calculation is complete------------\")\n ground1, ground2 = 0, 0\n engs = []\n for dct in results1:\n if dct[\"ground\"][0]:\n ground1 += 1\n if dct[\"ground\"][1]:\n ground2 += 1\n engs.append(dct[\"energy\"])\n engs = np.array(engs)\n eng1 = engs[:, 0]\n eng2 = engs[:, 1]\n bins = np.linspace(eng_min - 0.1, eng_min + 20, 100)\n label1 = \"3d CG: \" + str(ground1) + \"/\" + str(len(eng1))\n label2 = \"3d BFGS: \" + str(ground2) + \"/\" + str(len(eng2))\n print(label1)\n print(label2)\n plt.hist(eng1, bins, alpha=0.5, label=label1)\n plt.hist(eng2, bins, alpha=0.5, label=label2)\n plt.xlabel(\"Energy (eV)\")\n plt.ylabel(\"Counts\")\n plt.legend()\n eng_min_str = f\"{eng_min:.2f}\"\n plt.title(\"LJ\" + str(N) + \" Ground state: \" + eng_min_str)\n plt.savefig(\"LJ\" + str(N) + \"-\" + str(maxN) + \"samples-hist.png\")\n plt.close()\n plt.scatter(eng1, eng2)\n plt.xlabel(\"Energy from CG optimization\")\n plt.ylabel(\"Energy from BFGS optimization\")\n plt.xlim([eng_min - 0.1, -20])\n plt.ylim([eng_min - 0.1, -20])\n plt.savefig(\"LJ\" + str(N) + \"-\" + str(maxN) + \"samples-scatter.png\")\n plt.close()\n" }, { "path": "examples/example_04_LJ_38.py", "content": "\"\"\"This is a script to:\n1, generate random clusters.\n2, perform optimization.\n\"\"\"\n\nimport json\nimport warnings\nfrom copy import deepcopy\nfrom optparse import OptionParser\nfrom time import time\n\nimport matplotlib.pyplot as plt\nimport numpy as np\nfrom pymatgen.core import Molecule\nfrom scipy.optimize import minimize\nfrom scipy.spatial.distance import cdist, pdist\n\nfrom pyxtal import pyxtal\nfrom pyxtal.database.collection import Collection\nfrom pyxtal.molecule import PointGroupAnalyzer\n\nplt.style.use(\"bmh\")\nwarnings.filterwarnings(\"ignore\")\n\n\ndef LJ(pos, dim, mu=0.1):\n \"\"\"Calculate the total energy.\n\n Args:\n pos: 1D array with N*dim numbers representing the atomic positions\n dim: dimension of the hyper/normal space\n mu: the weight for the punishing function\n\n output\n E: the total energy with punishing function\n \"\"\"\n N_atom = int(len(pos) / dim)\n pos = np.reshape(pos, (N_atom, dim))\n\n distance = pdist(pos)\n r6 = np.power(distance, 6)\n r12 = np.multiply(r6, r6)\n Eng = np.sum(4 * (1 / r12 - 1 / r6))\n\n if dim > 3:\n norm = 0\n for i in range(3, dim):\n # diff = pos[:, i] - np.mean(pos[:, i])\n diff = pos[:, i]\n norm += np.sum(np.multiply(diff, diff))\n Eng += 0.5 * mu * norm\n return Eng\n\n\ndef LJ_force(pos, dim, mu=0.1):\n \"\"\"Compute the LJ force on each atom.\"\"\"\n N_atom = int(len(pos) / dim)\n pos = np.reshape(pos, [N_atom, dim])\n force = np.zeros([N_atom, dim])\n for i, pos0 in enumerate(pos):\n pos1 = deepcopy(pos)\n pos1 = np.delete(pos1, i, 0)\n distance = cdist([pos0], pos1)\n r = pos1 - pos0\n r2 = np.power(distance, 2)\n r6 = np.power(r2, 3)\n r12 = np.power(r6, 2)\n force[i] = np.dot((48 / r12 - 24 / r6) / r2, r)\n # force from the punish function mu*sum([x-mean(x)]^2)\n if dim > 3:\n for j in range(3, dim):\n # force[i, j] += mu*(pos[i, j] - np.mean(pos[:, j]))\n force[i, j] += mu * pos[i, j] # - np.mean(pos[:, j]))\n return force.flatten()\n\n\ndef single_optimize(pos, dim=3, kt=0.5, mu=0.1, seed=None):\n \"\"\"Perform optimization for a given cluster.\n\n Args:\n pos: N*dim0 array representing the atomic positions\n dim: dimension of the hyper/normal space\n kt: perturbation factors\n mu: the weight for the punishing function\n seed: random seed\n\n output:\n energy: optmized energy\n pos: optimized positions\n \"\"\"\n rng = np.random.default_rng(seed)\n N_atom = len(pos)\n diff = dim - np.shape(pos)[1]\n # if the input pos has less dimensions, we insert a random array for the extra dimension\n # if the input pos has more dimensions, we delete the array for the extra dimension\n if diff > 0:\n pos = np.hstack((pos, 0.5 * (rng.random([N_atom, diff]) - 0.5)))\n elif diff < 0:\n pos = pos[:, :dim]\n\n pos = pos.flatten()\n res = minimize(LJ, pos, args=(dim, mu), jac=LJ_force, method=\"CG\", tol=1e-3)\n pos = np.reshape(res.x, (N_atom, dim))\n energy = res.fun\n return energy, pos\n\n\ndef parse_symmetry(pos):\n \"\"\"Parse the symmetry of a cluster.\"\"\"\n mol = Molecule([\"C\"] * len(pos), pos)\n try:\n symbol = PointGroupAnalyzer(mol, tolerance=0.1).sch_symbol\n except Exception:\n symbol = \"N/A\"\n return symbol\n\n\nclass LJ_prediction:\n \"\"\"A class to perform global optimization on LJ clusters.\"\"\"\n\n def __init__(self, numIons):\n \"\"\"Initialize the class with the number of ions.\"\"\"\n self.numIons = numIons\n ref = Collection(\"clusters\")[str(numIons)]\n print(f\"\\nReference for LJ {numIons:3d} is {ref[\"energy\"]:12.3f} eV, PG: {ref[\"pointgroup\"]:4s}\")\n self.reference = ref\n self.time0 = time()\n\n def generate_cluster(self, pgs, cluster_factor=1.0, seed=None):\n \"\"\"Generate a random cluster with a given point group and number of ions.\"\"\"\n rng = np.random.default_rng(seed)\n run = True\n while run:\n pg = rng.integers(pgs)\n cluster = pyxtal()\n cluster.from_random(0, pg, [\"Mo\"], [self.numIons], factor=cluster_factor)\n if cluster.valid:\n run = False\n return cluster.to_pymatgen().cart_coords\n\n def predict(self, dim=3, maxN=100, ncpu=2, pgs=(2, 33)):\n \"\"\"Perform random search to find the ground state.\"\"\"\n print(f\"\\nPerforming random search at {dim:d}D space\\n\")\n cycle = range(maxN)\n if ncpu > 1:\n from functools import partial\n from multiprocessing import Pool\n\n with Pool(ncpu) as p:\n func = partial(self.relaxation, dim, pgs)\n res = p.map(func, cycle)\n p.close()\n p.join()\n else:\n res = []\n for i in cycle:\n res.append(self.relaxation(dim, pgs, i))\n\n N_success = 0\n for dct in res:\n if dct[\"ground\"]:\n N_success += 1\n print(f\"\\nHit the ground state {N_success:4d} times out of {maxN:4d} attempts\\n\")\n return res\n\n def relaxation(self, dim, pgs, ind):\n \"\"\"Perform relaxation for a given cluster.\"\"\"\n pos = self.generate_cluster(pgs)\n pg1 = parse_symmetry(pos)\n if dim == 3:\n [energy, pos] = single_optimize(pos, 3)\n else:\n do = True\n while do:\n [energy1, pos1] = single_optimize(pos, 3)\n [energy2, pos2] = single_optimize(pos1, dim)\n [energy3, pos3] = single_optimize(pos2, 3)\n # print(energy1, energy2, energy3)\n if abs(energy3 - energy1) < 1e-3 or energy3 > energy1:\n pos = pos1\n energy = energy1\n do = False\n # print('stop')\n else:\n pos = pos3\n if abs(energy - self.reference[\"energy\"]) < 1e-3:\n ground = True\n elif energy < self.reference[\"energy\"]:\n ground = True\n print(\" --- ENERGY LOWER THAN REFERENCE FOUND ---\")\n else:\n ground = False\n\n pg2 = parse_symmetry(pos)\n res = {\n \"pos\": pos,\n \"energy\": energy,\n \"pg_init\": pg1,\n \"pg_final\": pg2,\n \"ground\": ground,\n \"id\": ind,\n }\n if ground:\n print(\n f\"ID: {ind:4d} PG initial: {pg1:4s} relaxed: {pg2:4s} \"\n f\"Energy: {energy:12.3f} Time: {(time() - self.time0) / 60:6.1f} ++++++\"\n )\n elif ind % 10 == 0:\n print(\n f\"ID: {ind:4d} PG initial: {pg1:4s} relaxed: {pg2:4s} \"\n f\"Energy: {energy:12.3f} Time: {(time() - self.time0) / 60:6.1f} \"\n )\n return res\n\n\nif __name__ == \"__main__\":\n # -------------------------------- Options -------------------------\n parser = OptionParser()\n parser.add_option(\n \"-d\",\n \"--dimension\",\n dest=\"dim\",\n metavar=\"dim\",\n default=3,\n type=int,\n help=\"dimension, 3 or higher\",\n )\n parser.add_option(\n \"-n\",\n \"--numIons\",\n dest=\"numIons\",\n default=38,\n type=int,\n help=\"desired numbers of atoms: 16\",\n )\n parser.add_option(\n \"-m\",\n \"--max\",\n dest=\"max\",\n default=100,\n type=int,\n help=\"maximum number of attempts\",\n )\n parser.add_option(\n \"-p\",\n \"--proc\",\n dest=\"proc\",\n default=1,\n type=int,\n help=\"number of processors, default 1\",\n )\n\n (options, args) = parser.parse_args()\n\n N = options.numIons # 38\n maxN = options.max # 100\n dim = options.dim # 3\n ncpu = options.proc\n\n lj_run = LJ_prediction(N)\n eng_min = lj_run.reference[\"energy\"]\n t0 = time()\n print(\"---No symmetry---\")\n results1 = lj_run.predict(dim=dim, maxN=maxN, ncpu=ncpu, pgs=[1])\n print(f\"time: {time() - t0:6.2f} seconds\")\n\n print(\"---Random symmetry---\")\n results2 = lj_run.predict(dim=dim, maxN=maxN, ncpu=ncpu, pgs=range(2, 33))\n print(f\"time: {time() - t0:6.2f} seconds\")\n\n # results3 and results4 would be used to compare structures with random symmetry\n # to those only generated with a single chosen space group (in this case, Oh)\n \"\"\"print(\"---Oh only---\")\n results3 = lj_run.predict(dim=dim, maxN=maxN, ncpu=ncpu, pgs=[32])\n print('time: {0:6.2f} seconds'.format(time()-t0))\n\n print(\"---Random symmetry (not Oh)---\")\n results4 = lj_run.predict(dim=dim, maxN=maxN, ncpu=ncpu, pgs=range(2, 32))\n print('time: {0:6.2f} seconds'.format(time()-t0))\"\"\"\n\n eng1 = []\n eng2 = []\n\n # eng3 = []\n # eng4 = []\n\n ground1 = 0\n ground2 = 0\n\n # ground3 = 0\n # ground4 = 0\n\n # Create a json-dump-able list of dictionaries to store (results1)\n dictlist = []\n # Store the energies and number of ground state occurences\n for dct in results1:\n if dct[\"ground\"]:\n ground1 += 1\n eng1.append(dct[\"energy\"])\n dictlist.append(\n {\n \"pos\": [list(p) for p in dct[\"pos\"]],\n \"energy\": dct[\"energy\"],\n \"pg_init\": dct[\"pg_init\"],\n \"pg_final\": dct[\"pg_final\"],\n \"ground\": dct[\"ground\"],\n \"id\": dct[\"id\"],\n }\n )\n # Dump results to a json file\n with open(str(N) + \"-\" + str(maxN) + \"-asymmetric.json\", \"w\") as f:\n json.dump(dictlist, f)\n\n # Create a json-dump-able list of dictionaries to store (results2)\n dictlist = []\n # Store the energies and number of ground state occurences\n for dct in results2:\n if dct[\"ground\"]:\n ground2 += 1\n eng2.append(dct[\"energy\"])\n dictlist.append(\n {\n \"pos\": [list(p) for p in dct[\"pos\"]],\n \"energy\": dct[\"energy\"],\n \"pg_init\": dct[\"pg_init\"],\n \"pg_final\": dct[\"pg_final\"],\n \"ground\": dct[\"ground\"],\n \"id\": dct[\"id\"],\n }\n )\n # Dump results to a json file\n with open(str(N) + \"-\" + str(maxN) + \"-symmetric.json\", \"w\") as f:\n json.dump(dictlist, f)\n\n # for dct in results3:\n # if dct['ground']:\n # ground3 += 1\n # eng3.append(dct['energy'])\n # for dct in results4:\n # if dct['ground']:\n # ground4 += 1\n # eng4.append(dct['energy'])\n\n eng1 = np.array(eng1)\n eng2 = np.array(eng2)\n\n # eng3 = np.array(eng3)\n # eng4 = np.array(eng4)\n\n eng_max = max([max(eng1), max(eng2)])\n bins = np.linspace(eng_min - 0.1, 0.1, 100)\n plt.hist(\n eng1,\n bins,\n alpha=0.5,\n label=\"no symmetry: \" + str(ground1) + \"/\" + str(len(eng1)),\n )\n plt.hist(\n eng2,\n bins,\n alpha=0.5,\n label=\"random point groups: \" + str(ground2) + \"/\" + str(len(eng2)),\n )\n plt.xlabel(\"Energy (eV)\")\n plt.ylabel(\"Counts\")\n plt.legend(loc=1)\n plt.title(\"LJ cluster: \" + str(N) + \" Ground state: \" + str(eng_min))\n plt.savefig(str(N) + \"-\" + str(maxN) + \"-\" + str(dim) + \".pdf\")\n plt.close()\n\n # eng_max = max([max(eng3), max(eng4)])\n # bins = np.linspace(eng_min-0.1, 0.1, 100)\n # plt.hist(eng3, bins, alpha=0.5, label=f\"Oh only: {ground3}/{len(eng3)}\")\n # plt.hist(eng4, bins, alpha=0.5, label=f\"random point groups (excluding Oh): {ground4}/{len(eng3)}\")\n # plt.xlabel('Energy (eV)')\n # plt.ylabel('Counts')\n # plt.legend(loc=1)\n # plt.title('LJ cluster: ' + str(N) + ' Ground state: ' + str(eng_min))\n # plt.savefig(str(N)+'-'+str(maxN)+'-'+str(dim)+'_single.pdf')\n # plt.close()\n" }, { "path": "examples/example_05_LJ_4D.py", "content": "import warnings\nfrom copy import deepcopy\nfrom optparse import OptionParser\nfrom time import time\n\nimport matplotlib.pyplot as plt\nimport numpy as np\nfrom pymatgen.core import Molecule\nfrom scipy.optimize import minimize\nfrom scipy.spatial.distance import cdist, pdist\n\nfrom pyxtal import pyxtal\nfrom pyxtal.database.collection import Collection\nfrom pyxtal.molecule import PointGroupAnalyzer\n\nplt.style.use(\"bmh\")\nwarnings.filterwarnings(\"ignore\")\n\n\"\"\"\nThis is a script to\n1, generate random clusters\n2, perform optimization\n\"\"\"\n\n\ndef LJ(pos, dim, mu=0.1):\n \"\"\"Calculate the total energy.\n\n Args:\n pos: 1D array with N*dim numbers representing the atomic positions\n dim: dimension of the hyper/normal space\n mu: the weight for the punishing function\n\n output\n E: the total energy with punishing function\n \"\"\"\n N_atom = int(len(pos) / dim)\n pos = np.reshape(pos, (N_atom, dim))\n\n distance = pdist(pos)\n r6 = np.power(distance, 6)\n r12 = np.multiply(r6, r6)\n Eng = np.sum(4 * (1 / r12 - 1 / r6))\n\n if dim > 3:\n norm = 0\n for i in range(3, dim):\n # diff = pos[:, i] - np.mean(pos[:, i])\n diff = pos[:, i]\n norm += np.sum(np.multiply(diff, diff))\n Eng += 0.5 * mu * norm\n return Eng\n\n\ndef LJ_force(pos, dim, mu=0.1):\n \"\"\"Calculate LJ forces.\"\"\"\n N_atom = int(len(pos) / dim)\n pos = np.reshape(pos, [N_atom, dim])\n force = np.zeros([N_atom, dim])\n for i, pos0 in enumerate(pos):\n pos1 = deepcopy(pos)\n pos1 = np.delete(pos1, i, 0)\n distance = cdist([pos0], pos1)\n r = pos1 - pos0\n r2 = np.power(distance, 2)\n r6 = np.power(r2, 3)\n r12 = np.power(r6, 2)\n force[i] = np.dot((48 / r12 - 24 / r6) / r2, r)\n # force from the punish function mu*sum([x-mean(x)]^2)\n if dim > 3:\n for j in range(3, dim):\n # force[i, j] += mu*(pos[i, j] - np.mean(pos[:, j]))\n force[i, j] += mu * pos[i, j] # - np.mean(pos[:, j]))\n return force.flatten()\n\n\ndef single_optimize(pos, dim=3, kt=0.5, mu=0.1):\n \"\"\"Perform optimization for a given cluster.\n\n Args:\n pos: N*dim0 array representing the atomic positions\n dim: dimension of the hyper/normal space\n kt: perturbation factors\n mu: the weight for the punishing function\n\n output:\n energy: optmized energy\n pos: optimized positions\n \"\"\"\n N_atom = len(pos)\n diff = dim - np.shape(pos)[1]\n # if the input pos has less dimensions, we insert a random array for the extra dimension\n # if the input pos has more dimensions, we delete the array for the extra dimension\n if diff > 0:\n pos = np.hstack((pos, 0.5 * (np.random.random([N_atom, diff]) - 0.5)))\n elif diff < 0:\n pos = pos[:, :dim]\n\n pos = pos.flatten()\n res = minimize(LJ, pos, args=(dim, mu), jac=LJ_force, method=\"CG\", tol=1e-3)\n pos = np.reshape(res.x, (N_atom, dim))\n energy = res.fun\n return energy, pos\n\n\ndef parse_symmetry(pos):\n \"\"\"Parse the symmetry of a cluster.\"\"\"\n mol = Molecule([\"C\"] * len(pos), pos)\n try:\n symbol = PointGroupAnalyzer(mol, tolerance=0.1).sch_symbol\n except Exception:\n symbol = \"N/A\"\n return symbol\n\n\nclass LJ_prediction:\n \"\"\"A class to perform global optimization on LJ clusters.\"\"\"\n\n def __init__(self, numIons):\n \"\"\"Initialize the class with the number of ions.\"\"\"\n self.numIons = numIons\n ref = Collection(\"clusters\")[str(numIons)]\n print(\"\\nReference for LJ {:3d} is {:12.3f} eV, PG: {:4s}\".format(numIons, ref[\"energy\"], ref[\"pointgroup\"]))\n self.reference = ref\n self.time0 = time()\n\n def generate_cluster(self, pgs, cluster_factor=0.6, seed=None):\n \"\"\"Generate a random cluster.\"\"\"\n rng = np.random.default_rng(seed)\n run = True\n while run:\n pg = rng.integers(pgs)\n cluster = pyxtal()\n cluster.from_random(0, pg, [\"H\"], [self.numIons], factor=cluster_factor)\n if cluster.valid:\n run = False\n return cluster._get_coords_and_species(absolute=True)[0]\n\n def predict(self, dim=3, maxN=100, ncpu=2, pgs=(2, 33)):\n \"\"\"Perform global optimization.\"\"\"\n print(f\"\\nPerforming random search at {dim:d}D space\\n\")\n cycle = range(maxN)\n if ncpu > 1:\n from functools import partial\n from multiprocessing import Pool\n\n with Pool(ncpu) as p:\n func = partial(self.relaxation, dim, pgs)\n res = p.map(func, cycle)\n p.close()\n p.join()\n else:\n res = []\n for i in cycle:\n res.append(self.relaxation(dim, pgs, i))\n\n N_success = 0\n for dct in res:\n if dct[\"ground\"]:\n N_success += 1\n print(f\"\\nHit the ground state {N_success:4d} times out of {maxN:4d} attempts\\n\")\n return res\n\n def relaxation(self, dim, pgs, ind):\n \"\"\"Perform relaxation for a given cluster.\"\"\"\n pos = self.generate_cluster(pgs)\n pg1 = parse_symmetry(pos)\n if dim == 3:\n [energy, pos] = single_optimize(pos, 3)\n else:\n do = True\n while do:\n [energy1, pos1] = single_optimize(pos, 3)\n [energy2, pos2] = single_optimize(pos1, dim)\n [energy3, pos3] = single_optimize(pos2, 3)\n # print(energy1, energy2, energy3)\n if abs(energy3 - energy1) < 1e-3 or energy3 > energy1:\n pos = pos1\n energy = energy1\n do = False\n # print('stop')\n else:\n pos = pos3\n\n ground = abs(energy - self.reference[\"energy\"]) < 0.001\n\n pg2 = parse_symmetry(pos)\n res = {\n \"pos\": pos,\n \"energy\": energy,\n \"pg_init\": pg1,\n \"pg_finial\": pg2,\n \"ground\": ground,\n \"id\": ind,\n }\n if ground:\n print(\n f\"ID: {ind:4d} PG initial: {pg1:4s} relaxed: {pg2:4s} \"\n f\"Energy: {energy:12.3f} Time: {(time() - self.time0) / 60:6.1f} ++++++\"\n )\n elif ind % 10 == 0:\n print(\n f\"ID: {ind:4d} PG initial: {pg1:4s} relaxed: {pg2:4s} \"\n f\"Energy: {energy:12.3f} Time: {(time() - self.time0) / 60:6.1f} \"\n )\n return res\n\n\nif __name__ == \"__main__\":\n # -------------------------------- Options -------------------------\n parser = OptionParser()\n parser.add_option(\n \"-d\",\n \"--dimension\",\n dest=\"dim\",\n metavar=\"dim\",\n default=3,\n type=int,\n help=\"dimension, 3 or higher\",\n )\n parser.add_option(\n \"-n\",\n \"--numIons\",\n dest=\"numIons\",\n default=16,\n type=int,\n help=\"desired numbers of atoms: 16\",\n )\n parser.add_option(\n \"-m\",\n \"--max\",\n dest=\"max\",\n default=100,\n type=int,\n help=\"maximum number of attempts\",\n )\n parser.add_option(\n \"-p\",\n \"--proc\",\n dest=\"proc\",\n default=1,\n type=int,\n help=\"number of processors, default 1\",\n )\n\n (options, args) = parser.parse_args()\n\n N = options.numIons # 38\n maxN = options.max # 1000\n dim = options.dim # 4\n ncpu = options.proc\n\n lj_run = LJ_prediction(N)\n eng_min = lj_run.reference[\"energy\"]\n t0 = time()\n results1 = lj_run.predict(dim=dim, maxN=maxN, ncpu=ncpu, pgs=[1])\n print(f\"time: {time() - t0:6.2f} seconds\")\n results2 = lj_run.predict(dim=dim, maxN=maxN, ncpu=ncpu, pgs=range(2, 33))\n print(f\"time: {time() - t0:6.2f} seconds\")\n eng1 = []\n eng2 = []\n ground1 = 0\n ground2 = 0\n for dct in results1:\n if dct[\"ground\"]:\n ground1 += 1\n eng1.append(dct[\"energy\"])\n for dct in results2:\n if dct[\"ground\"]:\n ground2 += 1\n eng2.append(dct[\"energy\"])\n eng1 = np.array(eng1)\n eng2 = np.array(eng2)\n bins = np.linspace(eng_min - 0.1, eng_min + 20, 100)\n plt.hist(eng1, bins, alpha=0.5, label=\"no-sym: \" + str(ground1) + \"/\" + str(len(eng1)))\n plt.hist(eng2, bins, alpha=0.5, label=\"sym: \" + str(ground2) + \"/\" + str(len(eng2)))\n plt.xlabel(\"Energy (eV)\")\n plt.ylabel(\"Counts\")\n plt.legend(loc=1)\n plt.title(\"LJ cluster: \" + str(N) + \" Ground state: \" + str(eng_min))\n plt.savefig(str(N) + \"-\" + str(maxN) + \"-\" + str(dim) + \".png\")\n plt.close()\n" }, { "path": "examples/example_06_C_2D_lammps.py", "content": "import logging\nimport os\n\nimport numpy as np\nimport pymatgen.analysis.structure_matcher as sm\nfrom ase.db import connect\nfrom lammps import lammps\nfrom pymatgen.io.ase import AseAtomsAdaptor\n\nfrom pyxtal import pyxtal\nfrom pyxtal.interface.gulp import single_optimize as gulp_opt\nfrom pyxtal.interface.lammpslib import opt_lammpslib as lmp_opt\nfrom pyxtal.interface.lammpslib import run_lammpslib as lmp_run\n\n\ndef new_struc(db, s, eng):\n \"\"\"Check if the structure is new.\"\"\"\n s_pmg = AseAtomsAdaptor().get_structure(s)\n for row in db.select():\n ref = db.get_atoms(id=row.id)\n if abs(eng - row.ff_energy) < 1e-2:\n ref_pmg = AseAtomsAdaptor().get_structure(ref)\n if sm.StructureMatcher().fit(s_pmg, ref_pmg):\n return False\n return True\n\n\nlog_file = \"06-results.log\"\nif os.path.exists(log_file):\n os.remove(log_file)\n\nlogging.basicConfig(format=\"%(asctime)s| %(message)s\", filename=log_file, level=logging.INFO)\n\n\ncalc_folder = \"06-tmp/\" # store tmp files for lammps and lasp\nfor folder in [calc_folder]:\n if not os.path.exists(folder):\n os.makedirs(folder)\n\nlammps_name = \"\"\ncomm = None\nlog_file = calc_folder + \"/lammps.log\"\ncmd_args = [\"-echo\", \"log\", \"-log\", log_file, \"-screen\", \"none\", \"-nocite\"]\nlmp = lammps(lammps_name, cmd_args, comm)\nparameters = [\n \"mass * 1.\",\n \"pair_style tersoff\",\n \"pair_coeff * * SiCGe.tersoff C\",\n]\n\nmask = [1, 1, 0, 0, 0, 1]\n# Here we do plane groups\npgs = [3, 11, 12, 13, 23, 24, 25, 26, 49, 55, 56, 65, 69, 70, 73, 75]\n# pgs = [65, 69, 70, 73, 75] #[23, 24, 25, 26, 49, 55, 56]\n\nlogfile = calc_folder + \"/log\"\nfilename = \"06.db\"\nrng = np.random.default_rng()\nwith connect(filename) as db:\n for i in range(100):\n while True:\n sg, numIons = rng.choice(pgs), rng.choice(range(3, 24))\n struc = pyxtal()\n struc.from_random(2, sg, [\"C\"], [numIons], thickness=0, force_pass=True)\n if struc.valid:\n ase_struc = struc.to_ase()\n break\n # s = ase_struc\n # print(struc)\n # relax the structure with multiple steps\n s, eng = lmp_run(ase_struc, lmp, parameters, method=\"opt\", path=calc_folder)\n s = lmp_opt(\n s,\n lmp,\n parameters,\n mask=mask,\n logfile=logfile,\n fmax=0.01,\n path=calc_folder,\n opt_cell=False,\n steps=100,\n )\n s = lmp_opt(\n s,\n lmp,\n parameters,\n mask=mask,\n logfile=logfile,\n fmax=0.01,\n path=calc_folder,\n opt_cell=True,\n steps=100,\n )\n s, eng = lmp_run(s, lmp, parameters, method=\"opt\", path=calc_folder)\n s, eng, _, error = gulp_opt(s, ff=\"tersoff.lib\", path=calc_folder)\n if not error:\n # spg = get_symmetry_dataset(s, symprec=1e-1)['international']\n struc1 = pyxtal()\n struc1.from_seed(s)\n spg = struc1.group.symbol\n # print(struc1.lattice)\n pos = s.get_positions()[:, 2]\n thickness = max(pos) - min(pos)\n new = new_struc(db, s, eng)\n strs = (\n f\"{i:4d} {eng / len(s):6.3f} eV/atom *{len(s):2d} {thickness:6.3f} \"\n f\"{struc.group.symbol:10s}->{spg:10s} {new}\"\n )\n logging.info(strs)\n print(strs)\n\n if new_struc(db, s, eng / len(s)):\n area = np.linalg.det(s.get_cell()[:2, :2]) / len(s)\n kvp = {\n \"spg\": spg,\n \"ff_energy\": eng / len(s),\n \"thickness\": thickness,\n \"area\": area,\n }\n db.write(s, key_value_pairs=kvp)\n" }, { "path": "examples/example_07_3D_ICE_lammps.py", "content": "import logging\nimport os\n\nimport numpy as np\nfrom ase.db import connect\nfrom lammps import lammps\nfrom spglib import get_symmetry_dataset\n\nfrom pyxtal import pyxtal\nfrom pyxtal.interface.lammpslib import opt_lammpslib as lmp_opt\nfrom pyxtal.interface.lammpslib import run_lammpslib as lmp_run\n\nlog_file = \"07-results.log\"\nlogging.basicConfig(format=\"%(asctime)s| %(message)s\", filename=log_file, level=logging.INFO)\n\ncalc_folder = \"07-tmp\" # store tmp files for lammps and lasp\nfor folder in [calc_folder]:\n if not os.path.exists(folder):\n os.makedirs(folder)\n\nlammps_name = \"\"\ncomm = None\nlog_file = calc_folder + \"/lammps.log\"\ncmd_args = [\"-echo\", \"log\", \"-log\", log_file, \"-screen\", \"none\", \"-nocite\"]\nlmp = lammps(lammps_name, cmd_args, comm)\n\nparameters = [\n \"atom_style full\",\n \"pair_style lj/cut/tip4p/long 1 2 1 1 0.278072379 17.007\",\n \"bond_style class2 \",\n \"angle_style harmonic\",\n \"read_data \" + calc_folder + \"/data.lammps\",\n \"kspace_style pppm/tip4p 0.0001\",\n \"pair_coeff 2 2 0 0\",\n \"pair_coeff 1 2 0 0\",\n \"pair_coeff 1 1 0.000295147 5.96946\",\n]\n\nfilename = \"07.db\"\nlogfile = calc_folder + \"/log\"\nrng = np.random.default_rng()\nwith connect(filename) as db:\n for i in range(100):\n while True:\n sg, numIons = rng.choice(range(3, 231)), rng.choice(range(4, 12))\n struc = pyxtal(molecular=True)\n struc.from_random(3, sg, [\"H2O\"], [numIons], force_pass=True)\n if struc.valid:\n break\n s = struc.to_ase(resort=False)\n # s, _ = lmp_run(s, lmp, parameters, molecule=True, method='opt', path=calc_folder)\n s = lmp_opt(\n s,\n lmp,\n parameters,\n logfile=logfile,\n molecule=True,\n fmax=0.01,\n path=calc_folder,\n opt_cell=False,\n a=0,\n steps=100,\n )\n s = lmp_opt(\n s,\n lmp,\n parameters,\n logfile=logfile,\n molecule=True,\n fmax=0.01,\n path=calc_folder,\n opt_cell=True,\n a=0,\n steps=100,\n )\n s = lmp_opt(\n s,\n lmp,\n parameters,\n logfile=logfile,\n molecule=True,\n fmax=0.01,\n path=calc_folder,\n opt_cell=True,\n )\n s, _ = lmp_run(s, lmp, parameters, molecule=True, method=\"opt\", path=calc_folder)\n\n Eng = s.get_potential_energy() * 96 / len(s) * 3\n Vol = s.get_volume() / len(s) * 3\n try:\n spg = get_symmetry_dataset(s, symprec=1e-1)[\"international\"]\n except Exception:\n spg = \"P1\"\n strs = f\"{i:4d} {Eng:6.3f} eV/atom {numIons:4d} {Vol:6.3f} A^3 {struc.group.symbol:10s}-->{spg:10s}\"\n logging.info(strs)\n print(strs)\n permutation = np.argsort(s.numbers)\n s = s[permutation]\n" }, { "path": "examples/test_installation.py", "content": "# %%\nimport os\n\nimport ase\nfrom lammps import lammps\n\nfrom pyxtal import __version__ as pyxtal_version\nfrom pyxtal import pyxtal\nfrom pyxtal.interface.gulp import single_optimize as opt_gulp\nfrom pyxtal.interface.lammpslib import opt_lammpslib\n\nprint(\"PyXtal: \", pyxtal_version)\nprint(\"ase: \", ase.__version__)\n\n# %%\nprint(\"Using PyXtal to generate structure\")\nstruc = pyxtal()\nstruc.from_random(3, 227, [\"C\"], [8], sites=[[\"8a\"]])\nprint(struc)\nprint(\"Convert PyXtal structure to ASE\")\nase_struc = struc.to_ase()\n\ncalc_folder = \"tmp\"\n\nif not os.path.exists(calc_folder):\n os.mkdir(calc_folder)\n\n# %%\nprint(\"launch the LAMMPS calculator\")\n# Set up lammps\nlammps_name = \"\"\ncomm = None\nlog_file = calc_folder + \"/lammps.log\"\ncmd_args = [\"-echo\", \"log\", \"-log\", log_file, \"-screen\", \"none\", \"-nocite\"]\nlmp = lammps(lammps_name, cmd_args, comm)\nparameters = [\n \"mass * 1.\",\n \"pair_style tersoff\",\n \"pair_coeff * * SiCGe.tersoff C\",\n]\n\ns = opt_lammpslib(ase_struc, lmp, parameters, path=calc_folder, opt_cell=True)\nif abs(s.get_potential_energy()) < 1e-8:\n cell = s.get_cell()\n pos = s.get_scaled_positions()\n s.set_cell(cell * 0.8)\n s.set_scaled_positions(pos)\n s = opt_lammpslib(ase_struc, lmp, parameters, path=calc_folder, opt_cell=True)\n\n# %%\nprint(\"launch the GULP calculator\")\ns, eng, time, error = opt_gulp(ase_struc, ff=\"tersoff.lib\", path=calc_folder, clean=False)\nprint(eng * sum(s.numIons))\n# s.to_ase().write('1.vasp', format='vasp', vasp5=True, direct=True)\n" }, { "path": "examples/tutorials_notebook/01_atomic_crystals.ipynb", "content": "{\n \"cells\": [\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"# Tutorial 1: Atomic crystal module in PyXtal\\n\",\n \"\\n\",\n \"Source code: https://github.com/qzhu2017/PyXtal\\n\",\n \"\\n\",\n \"Created by Qiang Zhu (2020/11/23)\\n\",\n \"\\n\",\n \"Last updated: 2022/08/11\\n\",\n \"\\n\",\n \"More details can be found at the following [link](https://pyxtal.readthedocs.io/en/latest/)\\n\",\n \"\\n\",\n \"# 1.1 Generate a random atomic crystal\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 1,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"from pyxtal import pyxtal\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 2,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"\\n\",\n \"------Crystal from random------\\n\",\n \"Dimension: 3\\n\",\n \"Composition: C8\\n\",\n \"Group: F d -3 m:2 (227)\\n\",\n \" 4.5200, 4.5200, 4.5200, 90.0000, 90.0000, 90.0000, cubic\\n\",\n \"Wyckoff sites:\\n\",\n \"\\t C @ [ 0.1250 0.1250 0.1250], WP [8a] Site [-433mm]\\n\"\n ]\n }\n ],\n \"source\": [\n \"C1 = pyxtal()\\n\",\n \"C1.from_random(3, 227, [\\\"C\\\"], [8])\\n\",\n \"# Alternative, you can also generate the structure with pre-assigned sites\\n\",\n \"# C1.from_random(3, 225, [\\\"C\\\"], [12], sites=[[\\\"4a\\\", \\\"8c\\\"]])\\n\",\n \"\\n\",\n \"print(C1)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 3,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"text/plain\": [\n \"Wyckoff position 8a in space group 227 with site symmetry -4 33 mm\\n\",\n \"1/8, 1/8, 1/8\\n\",\n \"7/8, 3/8, 3/8\\n\",\n \"1/8, 5/8, 5/8\\n\",\n \"7/8, 7/8, 7/8\\n\",\n \"5/8, 1/8, 5/8\\n\",\n \"11/8, 3/8, 7/8\\n\",\n \"5/8, 5/8, 1/8\\n\",\n \"11/8, 7/8, 3/8\"\n ]\n },\n \"execution_count\": 3,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"C1.atom_sites[0].wp\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 4,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 4,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"#display the structure can be easily accessed with the show() function\\n\",\n \"C1.show(supercell=(2,2,1))\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"# 1.2 Manipulating the crystal via symmetry relation\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 5,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"\\n\",\n \"------Crystal from subgroup------\\n\",\n \"Dimension: 3\\n\",\n \"Composition: C8\\n\",\n \"Group: I 41/a m d:2 (141)\\n\",\n \" 3.1961, 3.1961, 4.5134, 90.0000, 90.0000, 90.0000, tetragonal\\n\",\n \"Wyckoff sites:\\n\",\n \"\\t C @ [ 0.0000 0.7500 0.1250], WP [4a] Site [-4mm2]\\n\"\n ]\n }\n ],\n \"source\": [\n \"# lower the symmetry from cubic to tetragonal\\n\",\n \"C2 = C1.subgroup_once(H=141, eps=1e-2)\\n\",\n \"print(C2)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 6,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"# Compute the XRD\\n\",\n \"xrd1 = C1.get_XRD()\\n\",\n \"xrd2 = C2.get_XRD()\\n\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 7,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"The similarity between two PXRDs is 0.9986\\n\"\n ]\n },\n {\n \"data\": {\n \"image/png\": 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\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"# Compare two structures by XRD\\n\",\n \"from pyxtal.XRD import Similarity\\n\",\n \"\\n\",\n \"p1 = xrd1.get_profile()\\n\",\n \"p2 = xrd2.get_profile()\\n\",\n \"s = Similarity(p1, p2, x_range=[15, 90])\\n\",\n \"print(s)\\n\",\n \"s.show()\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"# 1.3 Chemical substitution via symmetry relation\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 8,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"\\n\",\n \"------Crystal from random------\\n\",\n \"Dimension: 3\\n\",\n \"Composition: C8\\n\",\n \"Group: F d -3 m:2 (227)\\n\",\n \" 4.5200, 4.5200, 4.5200, 90.0000, 90.0000, 90.0000, cubic\\n\",\n \"Wyckoff sites:\\n\",\n \"\\t C @ [ 0.1250 0.1250 0.1250], WP [8a] Site [-433mm]\\n\",\n \"\\n\",\n \"------Crystal from subgroup------\\n\",\n \"Dimension: 3\\n\",\n \"Composition: Si3C3\\n\",\n \"Group: R 3:H (146)\\n\",\n \" 3.1961, 3.1961, 7.7923, 90.0000, 90.0000, 120.0000, hexagonal\\n\",\n \"Wyckoff sites:\\n\",\n \"\\t C @ [ 0.0000 0.0000 0.1245], WP [3a] Site [3..]\\n\",\n \"\\tSi @ [ 0.0000 0.0000 0.8764], WP [3a] Site [3..]\\n\"\n ]\n },\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 8,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"#play substitution\\n\",\n \"permutation = {\\\"C\\\":\\\"Si\\\"}\\n\",\n \"SiC = C1.subgroup_once(eps=0.01, H=None, perms=permutation)\\n\",\n \"print(C1)\\n\",\n \"print(SiC)\\n\",\n \"SiC.show(supercell=(2,2,2))\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"# 1.4 Supergroup symmetry\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 9,\n \"metadata\": {\n \"scrolled\": false\n },\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"\\n\",\n \"------Crystal from Seed------\\n\",\n \"Dimension: 3\\n\",\n \"Composition: Si3O6\\n\",\n \"Group: P 32 2 1 (154)\\n\",\n \" 5.0278, 5.0278, 5.5189, 90.0000, 90.0000, 120.0000, hexagonal\\n\",\n \"Wyckoff sites:\\n\",\n \"\\tSi @ [ 0.4773 0.0000 0.6667], WP [3a] Site [.2.]\\n\",\n \"\\t O @ [ 0.1607 0.7457 0.5373], WP [6c] Site [1]\\n\"\n ]\n },\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 9,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"# load the experimental alpha-quartz structure from the cif file\\n\",\n \"\\n\",\n \"lt_sio2 = pyxtal()\\n\",\n \"lt_sio2.from_seed(\\\"lt_quartz.cif\\\")\\n\",\n \"print(lt_sio2)\\n\",\n \"lt_sio2.show()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 10,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"5 structures have been generated\\n\",\n \"\\n\",\n \"------Crystal from supergroup 0.847------\\n\",\n \"Dimension: 3\\n\",\n \"Composition: Si3O6\\n\",\n \"Group: P 62 2 2 (180)\\n\",\n \" 5.0278, 5.0278, 5.5189, 90.0000, 90.0000, 120.0000, hexagonal\\n\",\n \"Wyckoff sites:\\n\",\n \"\\tSi @ [ 0.5000 0.0000 0.0000], WP [3c] Site [222.]\\n\",\n \"\\t O @ [ 0.5000 0.0000 0.7923], WP [6f] Site [2..]\\n\"\n ]\n },\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 10,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"# Here we search for the high temperature phase\\n\",\n \"\\n\",\n \"ht_sio2, _ = lt_sio2.supergroup(G=180)\\n\",\n \"print(len(ht_sio2), \\\"structures have been generated\\\")\\n\",\n \"print(ht_sio2[-1])\\n\",\n \"ht_sio2[-1].show()\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"# 1.5 Exporting the structure\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 11,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"Atoms(symbols='C8', pbc=True, cell=[[4.520029655601712, 2.7677199248918747e-16, 2.7677199248918747e-16], [0.0, 4.520029655601712, 2.7677199248918747e-16], [0.0, 0.0, 4.520029655601712]])\\n\",\n \"Full Formula (C8)\\n\",\n \"Reduced Formula: C\\n\",\n \"abc : 4.520030 4.520030 4.520030\\n\",\n \"angles: 90.000000 90.000000 90.000000\\n\",\n \"Sites (8)\\n\",\n \" # SP a b c\\n\",\n \"--- ---- ----- ----- -----\\n\",\n \" 0 C 0.125 0.125 0.125\\n\",\n \" 1 C 0.875 0.375 0.375\\n\",\n \" 2 C 0.125 0.625 0.625\\n\",\n \" 3 C 0.875 0.875 0.875\\n\",\n \" 4 C 0.625 0.125 0.625\\n\",\n \" 5 C 1.375 0.375 0.875\\n\",\n \" 6 C 0.625 0.625 0.125\\n\",\n \" 7 C 1.375 0.875 0.375\\n\"\n ]\n }\n ],\n \"source\": [\n \"#In general, you can export the structure in several ways\\n\",\n \"\\n\",\n \"# CIF/POSCAR file\\n\",\n \"C1.to_file(\\\"1.cif\\\")\\n\",\n \"C1.to_ase().write(\\\"1.vasp\\\", format=\\\"vasp\\\", vasp5=True)\\n\",\n \"\\n\",\n \"# ASE's atoms object\\n\",\n \"ase_struc = C1.to_ase()\\n\",\n \"print(ase_struc)\\n\",\n \"\\n\",\n \"# Pymatgen object\\n\",\n \"pmg_struc = C1.to_pymatgen()\\n\",\n \"print(pmg_struc)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"# 1.6 Low dimensional systems\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 12,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 12,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"# An example to generate 2D atomic crystal\\n\",\n \"C3 = pyxtal()\\n\",\n \"C3.from_random(2, 75, [\\\"C\\\"], [6], thickness=0.0)\\n\",\n \"C3.show(scale=0.2)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 13,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stderr\",\n \"output_type\": \"stream\",\n \"text\": [\n \"==============================\\n\",\n \"*** Open Babel Error in LoadAllPlugins\\n\",\n \" Unable to find OpenBabel plugins. Try setting the BABEL_LIBDIR environment variable.\\n\"\n ]\n },\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 13,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"# An example to generate 0D atomic cluster\\n\",\n \"C4 = pyxtal()\\n\",\n \"C4.from_random(0, \\\"Ih\\\", [\\\"C\\\"], [60])\\n\",\n \"C4.show(scale=0.2)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 14,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 14,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"# to improve the quality, you can increase the minimum distance\\n\",\n \"C4.from_random(0, \\\"Ih\\\", [\\\"C\\\"], [60], t_factor=1.2)\\n\",\n \"C4.show(scale=0.1, radius=0.01)\"\n ]\n }\n ],\n \"metadata\": {\n \"@webio\": {\n \"lastCommId\": null,\n \"lastKernelId\": null\n },\n \"kernelspec\": {\n \"display_name\": \"Python 3 (ipykernel)\",\n \"language\": \"python\",\n \"name\": \"python3\"\n },\n \"language_info\": {\n \"codemirror_mode\": {\n \"name\": \"ipython\",\n \"version\": 3\n },\n \"file_extension\": \".py\",\n \"mimetype\": \"text/x-python\",\n \"name\": \"python\",\n \"nbconvert_exporter\": \"python\",\n \"pygments_lexer\": \"ipython3\",\n \"version\": \"3.7.12\"\n }\n },\n \"nbformat\": 4,\n \"nbformat_minor\": 4\n}\n" }, { "path": "examples/tutorials_notebook/02_molecular_crystals.ipynb", "content": "{\n \"cells\": [\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"# Tutorial 2: Molecular crystal module in PyXtal\\n\",\n \"\\n\",\n \"Source code: https://github.com/qzhu2017/PyXtal\\n\",\n \"\\n\",\n \"Created by Qiang Zhu (2020/11/23)\\n\",\n \"\\n\",\n \"Last updated: 2022/08/11\\n\",\n \"\\n\",\n \"\\n\",\n \"# 2.1 Generate a random crystal\\n\",\n \"\\n\",\n \"To use the code, just import the following module\\n\",\n \"```python\\n\",\n \"from pyxtal import pyxtal\\n\",\n \"s = pyxtal(molecular=True)\\n\",\n \"```\\n\",\n \"\\n\",\n \"Ideally, one just needs to define the following parameters:\\n\",\n \"- dimension: 1, 2 or 3\\n\",\n \"- group: integer number from 1 to 230\\n\",\n \"- molecules: a list of molecules, e.g. ['H2O']\\n\",\n \"- number of molecules: a list of numbers, e.g. [4]\\n\",\n \"\\n\",\n \"More details can be found at the following [link](https://pyxtal.readthedocs.io/en/latest)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 1,\n \"metadata\": {\n \"scrolled\": true\n },\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"\\n\",\n \"------Crystal from random------\\n\",\n \"Dimension: 3\\n\",\n \"Composition: [h2o]4\\n\",\n \"Group: P 21 21 21 (19)\\n\",\n \" 3.8693, 7.5272, 6.8579, 90.0000, 90.0000, 90.0000, orthorhombic\\n\",\n \"Wyckoff sites:\\n\",\n \"\\tH2O1 @ [ 0.8354 0.0503 0.6503] WP [4a] Site [1] Euler [ 138.9 -51.6 46.1]\\n\"\n ]\n }\n ],\n \"source\": [\n \"from pyxtal import pyxtal\\n\",\n \"\\n\",\n \"h2o = pyxtal(molecular=True)\\n\",\n \"h2o.from_random(3, 19, [\\\"h2o\\\"], [4])\\n\",\n \"print(h2o)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 2,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 2,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"#display the structure\\n\",\n \"h2o.show()\\n\",\n \"\\n\",\n \"#The crystal can also be exported to pymatgen or ase structure.\\n\",\n \"#pmg_struc = h2o.to_pymatgen()\\n\",\n \"#ase_struc = h2o.to_ase()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 3,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 3,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"# It is also fun to check how the structure is generated from a simple animation\\n\",\n \"h2o.show(size=(400, 300), animation=True, interval=1000)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"# 2.2 Crystal with molecules at the special Wyckoff positions\\n\",\n \"\\n\",\n \"In addition to the general `Wyckoff positions` (WP), there are also special WPs which have the `site symmetries` more than the identify operation. If the `molecular symmetry` is compatible with the site symmetry, the molecules can also take the special WPs. In that event, the molecules have less degree of freedom and they can only rotate in a limited range. `PyXtal` takes care of this when dealing the structural manipulation.\\n\",\n \"\\n\",\n \"Below is an example to show the water molecules occupy the 4a site in space group Cmc21(36).\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 4,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"\\n\",\n \"------Crystal from random------\\n\",\n \"Dimension: 3\\n\",\n \"Composition: [h2o]4\\n\",\n \"Group: P 21 21 21 (19)\\n\",\n \" 3.8693, 7.5272, 6.8579, 90.0000, 90.0000, 90.0000, orthorhombic\\n\",\n \"Wyckoff sites:\\n\",\n \"\\tH2O1 @ [ 0.8354 0.0503 0.6503] WP [4a] Site [1] Euler [ 138.9 -51.6 46.1]\\n\"\n ]\n }\n ],\n \"source\": [\n \"from pyxtal import pyxtal\\n\",\n \"\\n\",\n \"h2o_36 = pyxtal(molecular=True)\\n\",\n \"h2o_36.from_random(3, 36, [\\\"H2O\\\"], [4])\\n\",\n \"print(h2o)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 5,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"application/vnd.jupyter.widget-view+json\": {\n \"model_id\": \"d9b4b4c208e64d938cdaa1712474ec19\",\n \"version_major\": 2,\n \"version_minor\": 0\n },\n \"text/plain\": [\n \"interactive(children=(IntSlider(value=0, description='id:', max=3), Output()), _dom_classes=('widget-interact'…\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"# Below is a script to show how the molecules rotate around the allowed axis\\n\",\n \"ax = h2o_36.mol_sites[0].orientation.axis\\n\",\n \"\\n\",\n \"strucs = []\\n\",\n \"for angle in [90, 180, 270, 360]:\\n\",\n \" struc = h2o_36.copy()\\n\",\n \" struc.mol_sites[0].rotate(ax_vector=ax, angle=angle)\\n\",\n \" strucs.append(struc)\\n\",\n \"\\n\",\n \"from pyxtal.viz import display_mol_crystals\\n\",\n \"\\n\",\n \"display_mol_crystals(strucs, axis=2*ax)\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"# 2.3 2D and 1D Crystals \"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 6,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 6,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"h2o_1D = pyxtal(molecular=True)\\n\",\n \"h2o_1D.from_random(1, 75, [\\\"H2O\\\"], [12])\\n\",\n \"#print(h2o_1D)\\n\",\n \"h2o_1D.show(supercell=(1,1,3))\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 7,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 7,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"h2o_2D = pyxtal(molecular=True)\\n\",\n \"h2o_2D.from_random(2, 25, [\\\"H2O\\\"], [4], thickness=0)\\n\",\n \"#print(h2o_2D)\\n\",\n \"h2o_2D.show(supercell=(2,2,1))\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"# 2.4 Subgroup\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 8,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"\\n\",\n \"------Crystal from Seed------\\n\",\n \"Dimension: 3\\n\",\n \"Composition: [aspirin]4\\n\",\n \"Group: P 1 21/c 1 (14)\\n\",\n \" 11.2330, 6.5440, 11.2310, 90.0000, 95.8900, 90.0000, monoclinic\\n\",\n \"Wyckoff sites:\\n\",\n \"\\tH8C9O4 @ [ 0.2414 0.5782 0.0168] WP [4e] Site [1] Euler [ 0.0 0.0 0.0]\\n\"\n ]\n },\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 8,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"from pyxtal import pyxtal\\n\",\n \"\\n\",\n \"C1 = pyxtal(molecular=True)\\n\",\n \"C1.from_seed(seed=\\\"aspirin.cif\\\", molecules=[\\\"aspirin\\\"])\\n\",\n \"print(C1)\\n\",\n \"C1.show()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 9,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"\\n\",\n \"------Crystal from subgroup------\\n\",\n \"Dimension: 3\\n\",\n \"Composition: [aspirin]4\\n\",\n \"Group: P 1 c 1 (7)\\n\",\n \" 11.2330, 6.5440, 11.2310, 90.0000, 95.8900, 90.0000, monoclinic\\n\",\n \"Wyckoff sites:\\n\",\n \"\\tH8C9O4 @ [ 0.2414 0.3282 0.0168] WP [2a] Site [1] Euler [ 0.0 0.0 0.0]\\n\",\n \"\\tH8C9O4 @ [ 0.7586 0.8282 0.4832] WP [2a] Site [1] Euler [ 0.0 0.0 0.0]\\n\"\n ]\n },\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 9,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"C2 = C1.subgroup_once(H=7, eps=0, mut_lat=False)\\n\",\n \"print(C2)\\n\",\n \"C2.show()\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"# 2.5 Cell Transformation\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 10,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"\\n\",\n \"------Crystal from Seed------\\n\",\n \"Dimension: 3\\n\",\n \"Composition: [aspirin]4\\n\",\n \"Group: P 1 21/c 1 (14)\\n\",\n \" 11.2330, 6.5440, 11.2310, 90.0000, 95.8900, 90.0000, monoclinic\\n\",\n \"Wyckoff sites:\\n\",\n \"\\tH8C9O4 @ [ 0.2414 0.5782 0.0168] WP [4e] Site [1] Euler [ 0.0 0.0 0.0]\\n\"\n ]\n },\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 10,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"from pyxtal import pyxtal\\n\",\n \"\\n\",\n \"C1 = pyxtal(molecular=True)\\n\",\n \"C1.from_seed(seed=\\\"aspirin.cif\\\", molecules=[\\\"aspirin\\\"])\\n\",\n \"print(C1)\\n\",\n \"C1.show()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 11,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"\\n\",\n \"------Crystal from Seed------\\n\",\n \"Dimension: 3\\n\",\n \"Composition: [aspirin]4\\n\",\n \"Group: P 1 21/n 1 (14)\\n\",\n \" 11.2330, 6.5440, 15.0474, 90.0000, 47.9393, 90.0000, monoclinic\\n\",\n \"Wyckoff sites:\\n\",\n \"\\tH8C9O4 @ [ 0.2246 0.5782 0.0168] WP [4e] Site [1] Euler [ 0.0 0.0 0.0]\\n\"\n ]\n },\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 11,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"# Now we apply the cell transformation\\n\",\n \"C1.transform([[1,0,0],[0,1,0],[1,0,1]])\\n\",\n \"print(C1)\\n\",\n \"C1.show()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 12,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"\\n\",\n \"------Crystal from Seed------\\n\",\n \"Dimension: 3\\n\",\n \"Composition: [aspirin]4\\n\",\n \"Group: P 1 21/c 1 (14)\\n\",\n \" 11.2330, 6.5440, 11.2310, 90.0000, 95.8900, 90.0000, monoclinic\\n\",\n \"Wyckoff sites:\\n\",\n \"\\tH8C9O4 @ [ 0.2414 0.5782 0.0168] WP [4e] Site [1] Euler [ 0.0 0.0 0.0]\\n\"\n ]\n },\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 12,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"# We can always use the optimize_lattice function to\\n\",\n \"# change it to a cell reprentation that has an inclination\\n\",\n \"# angle close to 90 degree\\n\",\n \"\\n\",\n \"C1.optimize_lattice()\\n\",\n \"print(C1)\\n\",\n \"C1.show()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 13,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"\\n\",\n \"------Crystal from random------\\n\",\n \"Dimension: 3\\n\",\n \"Composition: [BIPHEN]12\\n\",\n \"Group: P m -3 (200)\\n\",\n \" 15.1676, 15.1676, 15.1676, 90.0000, 90.0000, 90.0000, cubic\\n\",\n \"Wyckoff sites:\\n\",\n \"\\tH10C12 @ [ 0.5000 0.6120 0.1863] WP [12k] Site [m..] Euler [-180.0 -62.4 -0.0]\\n\"\n ]\n }\n ],\n \"source\": [\n \"BIPHEN = pyxtal(molecular=True)\\n\",\n \"#BIPHEN.from_random(3, 200, ['BIPHEN'], [24])\\n\",\n \"BIPHEN.from_random(3, 200, [\\\"BIPHEN\\\"], [12], sites=[[\\\"12k\\\"]])\\n\",\n \"print(BIPHEN)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 14,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 14,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"BIPHEN.show(size=(400, 300), animation=True, interval=1000)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n }\n ],\n \"metadata\": {\n \"@webio\": {\n \"lastCommId\": null,\n \"lastKernelId\": null\n },\n \"kernelspec\": {\n \"display_name\": \"Python 3 (ipykernel)\",\n \"language\": \"python\",\n \"name\": \"python3\"\n },\n \"language_info\": {\n \"codemirror_mode\": {\n \"name\": \"ipython\",\n \"version\": 3\n },\n \"file_extension\": \".py\",\n \"mimetype\": \"text/x-python\",\n \"name\": \"python\",\n \"nbconvert_exporter\": \"python\",\n \"pygments_lexer\": \"ipython3\",\n \"version\": \"3.7.12\"\n }\n },\n \"nbformat\": 4,\n \"nbformat_minor\": 2\n}\n" }, { "path": "examples/tutorials_notebook/03_pxrd.ipynb", "content": "{\n \"cells\": [\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"# Tutorial 3: PXRD module in PyXtal\\n\",\n \"Source code: https://github.com/qzhu2017/PyXtal\\n\",\n \"\\n\",\n \"Created by Qiang Zhu (2020/11/25)\\n\",\n \"\\n\",\n \"Last updated: 2022/08/11\\n\",\n \"\\n\",\n \"An interactive webpage can be found at the following [link](https://vxrd.physics.unlv.edu)\\n\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 1,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"# load the necessary libraries\\n\",\n \"\\n\",\n \"from pkg_resources import resource_filename\\n\",\n \"\\n\",\n \"from pyxtal import pyxtal\\n\",\n \"from pyxtal.XRD import Similarity\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 2,\n \"metadata\": {\n \"scrolled\": false\n },\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"\\n\",\n \"------Crystal from Seed------\\n\",\n \"Dimension: 3\\n\",\n \"Composition: [aspirin]4\\n\",\n \"Group: P 1 21/c 1 (14)\\n\",\n \" 11.2330, 6.5440, 11.2310, 90.0000, 95.8900, 90.0000, monoclinic\\n\",\n \"Wyckoff sites:\\n\",\n \"\\tH8C9O4 @ [ 0.2414 0.5782 0.0168] WP [4e] Site [1] Euler [ 0.0 0.0 0.0]\\n\"\n ]\n }\n ],\n \"source\": [\n \"# specify the path of an experimental structure\\n\",\n \"cif_nacl = resource_filename(\\\"pyxtal\\\", \\\"database/cifs/NaCl.cif\\\")\\n\",\n \"cif_aspirin = resource_filename(\\\"pyxtal\\\", \\\"database/cifs/aspirin.cif\\\")\\n\",\n \"\\n\",\n \"# load the structure from pyxtal\\n\",\n \"\\n\",\n \"# if you load the atomic crystal\\n\",\n \"#xtal1 = pyxtal()\\n\",\n \"#xtal1.from_seed(seed = cif_nacl)\\n\",\n \"\\n\",\n \"# to load a molecular crystal, also needs to specify the molecule tag\\n\",\n \"xtal1 = pyxtal(molecular=True)\\n\",\n \"xtal1.from_seed(seed=cif_aspirin, molecules=[\\\"aspirin\\\"])\\n\",\n \"print(xtal1)\\n\",\n \"\\n\",\n \"# visualize the structure\\n\",\n \"# xtal1.show()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 3,\n \"metadata\": {\n \"scrolled\": false\n },\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \" 2theta d_hkl hkl Intensity Multi\\n\",\n \" 7.912 11.174 [ 1 0 0] 43.69 2\\n\",\n \" 15.693 5.647 [ 1 1 0] 11.94 4\\n\",\n \" 15.694 5.647 [ 0 1 1] 13.85 4\\n\",\n \" 15.863 5.587 [ 2 0 0] 15.35 2\\n\",\n \" 15.866 5.586 [ 0 0 2] 100.00 2\\n\",\n \" 17.002 5.215 [ 1 0 -2] 6.52 2\\n\",\n \" 17.224 5.148 [ 1 1 -1] 1.15 4\\n\",\n \" 17.965 4.938 [ 1 1 1] 2.18 4\\n\",\n \" 18.472 4.803 [ 1 0 2] 1.69 2\\n\",\n \" 20.907 4.249 [ 2 1 0] 8.59 4\\n\",\n \" 20.909 4.249 [ 0 1 2] 22.40 4\\n\",\n \" 21.308 4.170 [ 2 0 -2] 6.03 2\\n\",\n \" 21.791 4.079 [ 2 1 -1] 6.94 4\\n\",\n \" 21.792 4.078 [ 1 1 -2] 1.73 4\\n\",\n \" 22.967 3.872 [ 2 1 1] 49.23 4\\n\",\n \" 22.968 3.872 [ 1 1 2] 46.39 4\\n\",\n \" 23.651 3.762 [ 2 0 2] 17.19 2\\n\",\n \" 23.891 3.725 [ 3 0 0] 2.41 2\\n\",\n \" 25.327 3.517 [ 2 1 -2] 4.51 4\\n\",\n \" 27.255 3.272 [ 0 2 0] 13.80 2\\n\",\n \" 27.346 3.261 [ 2 1 2] 50.63 4\\n\",\n \" 27.384 3.257 [ 3 0 -2] 1.87 2\\n\",\n \" 27.556 3.237 [ 3 1 0] 50.62 4\\n\",\n \" 27.560 3.237 [ 0 1 3] 0.76 4\\n\",\n \" 28.006 3.186 [ 3 1 -1] 5.42 4\\n\",\n \" 28.009 3.186 [ 1 1 -3] 3.34 4\\n\",\n \" 28.423 3.140 [ 1 2 0] 1.21 4\\n\",\n \" 28.424 3.140 [ 0 2 1] 0.02 4\\n\",\n \" 29.322 3.046 [ 1 2 -1] 0.25 4\\n\",\n \" 29.405 3.038 [ 3 1 1] 7.16 4\\n\",\n \" 29.408 3.037 [ 1 1 3] 2.32 4\\n\",\n \" 29.776 3.001 [ 1 2 1] 2.25 4\\n\",\n \" 30.175 2.962 [ 3 0 2] 2.27 2\\n\",\n \" 30.662 2.916 [ 3 1 -2] 6.68 4\\n\",\n \" 30.664 2.916 [ 2 1 -3] 1.43 4\\n\",\n \" 31.691 2.823 [ 2 2 0] 3.22 4\\n\",\n \" 31.693 2.823 [ 0 2 2] 2.77 4\\n\",\n \" 32.040 2.793 [ 4 0 0] 3.69 2\\n\",\n \" 32.046 2.793 [ 0 0 4] 0.02 2\\n\",\n \" 32.230 2.777 [ 1 0 -4] 2.15 2\\n\",\n \" 32.298 2.772 [ 2 2 -1] 0.25 4\\n\",\n \" 32.299 2.772 [ 1 2 -2] 0.18 4\\n\",\n \" 33.127 2.704 [ 2 2 1] 1.38 4\\n\",\n \" 33.128 2.704 [ 1 2 2] 2.22 4\\n\",\n \" 33.203 2.698 [ 3 1 2] 11.60 4\\n\",\n \" 33.204 2.698 [ 2 1 3] 13.36 4\\n\",\n \" 33.872 2.646 [ 1 0 4] 0.00 2\\n\",\n \" 34.390 2.608 [ 4 0 -2] 0.70 2\\n\",\n \" 34.394 2.607 [ 2 0 -4] 2.82 2\\n\",\n \" 34.854 2.574 [ 2 2 -2] 2.34 4\\n\",\n \" 34.923 2.569 [ 4 1 0] 0.01 4\\n\",\n \" 34.929 2.569 [ 0 1 4] 2.85 4\\n\",\n \"\\n\"\n ]\n }\n ],\n \"source\": [\n \"# compute the xrd project\\n\",\n \"xrd = xtal1.get_XRD(thetas=[0, 35])\\n\",\n \"\\n\",\n \"# you can easily access the diffraction information by hkl indices\\n\",\n \"print(xrd)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 4,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"image/png\": 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\"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"# plot XRD\\n\",\n \"fig = xrd.plot_pxrd(fontsize=18,\\n\",\n \" figsize=(16,6),\\n\",\n \" show_hkl=False,\\n\",\n \" xlim=[5,36],\\n\",\n \" width=0.5,\\n\",\n \" minimum_I=0.1)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 5,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"This is running on Jupyter Notebook\\n\"\n ]\n },\n {\n \"data\": {\n \"text/html\": [\n \" \\n\",\n \" \"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"application/vnd.plotly.v1+json\": {\n \"config\": {\n \"plotlyServerURL\": \"https://plot.ly\"\n },\n \"data\": [\n {\n \"name\": \"Profile: gaussian\",\n \"type\": \"scatter\",\n \"x\": [\n 0,\n 0.020011435105774727,\n 0.040022870211549454,\n 0.06003430531732418,\n 0.08004574042309891,\n 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\"gridcolor\": \"white\",\n \"gridwidth\": 2,\n \"linecolor\": \"white\",\n \"showbackground\": true,\n \"ticks\": \"\",\n \"zerolinecolor\": \"white\"\n }\n },\n \"shapedefaults\": {\n \"line\": {\n \"color\": \"#2a3f5f\"\n }\n },\n \"ternary\": {\n \"aaxis\": {\n \"gridcolor\": \"white\",\n \"linecolor\": \"white\",\n \"ticks\": \"\"\n },\n \"baxis\": {\n \"gridcolor\": \"white\",\n \"linecolor\": \"white\",\n \"ticks\": \"\"\n },\n \"bgcolor\": \"#E5ECF6\",\n \"caxis\": {\n \"gridcolor\": \"white\",\n \"linecolor\": \"white\",\n \"ticks\": \"\"\n }\n },\n \"title\": {\n \"x\": 0.05\n },\n \"xaxis\": {\n \"automargin\": true,\n \"gridcolor\": \"white\",\n \"linecolor\": \"white\",\n \"ticks\": \"\",\n \"title\": {\n \"standoff\": 15\n },\n \"zerolinecolor\": \"white\",\n \"zerolinewidth\": 2\n },\n \"yaxis\": {\n \"automargin\": true,\n \"gridcolor\": \"white\",\n \"linecolor\": \"white\",\n \"ticks\": \"\",\n \"title\": {\n \"standoff\": 15\n },\n \"zerolinecolor\": \"white\",\n \"zerolinewidth\": 2\n }\n }\n },\n \"title\": {\n \"text\": \"PXRD of C36H32O16\"\n },\n \"xaxis\": {\n \"title\": {\n \"text\": \"2θ (1.5418 Å)\"\n }\n },\n \"yaxis\": {\n \"title\": {\n \"text\": \"Intensity\"\n }\n }\n }\n },\n \"text/html\": [\n \"
\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"# plot XRD\\n\",\n \"xrd.plotly_pxrd()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 6,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"# Now we randomly perturb the crystal\\n\",\n \"xtal2 = xtal1.copy()\\n\",\n \"xtal2.apply_perturbation(d_lat=0.02)\\n\",\n \"xrd2 = xtal2.get_XRD(thetas=[0, 35])\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 7,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"The similarity between two PXRDs is 0.9914\\n\"\n ]\n },\n {\n \"data\": {\n \"image/png\": 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\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"# Compare the the PXRDs of two structures\\n\",\n \"p1 = xrd.get_profile()\\n\",\n \"p2 = xrd2.get_profile()\\n\",\n \"s = Similarity(p1, p2, x_range=[0,35])\\n\",\n \"print(s)\\n\",\n \"s.show()\"\n ]\n }\n ],\n \"metadata\": {\n \"@webio\": {\n \"lastCommId\": null,\n \"lastKernelId\": null\n },\n \"kernelspec\": {\n \"display_name\": \"Python 3 (ipykernel)\",\n \"language\": \"python\",\n \"name\": \"python3\"\n },\n \"language_info\": {\n \"codemirror_mode\": {\n \"name\": \"ipython\",\n \"version\": 3\n },\n \"file_extension\": \".py\",\n \"mimetype\": \"text/x-python\",\n \"name\": \"python\",\n \"nbconvert_exporter\": \"python\",\n \"pygments_lexer\": \"ipython3\",\n \"version\": \"3.7.12\"\n }\n },\n \"nbformat\": 4,\n \"nbformat_minor\": 4\n}\n" }, { "path": "examples/tutorials_notebook/04_box.ipynb", "content": "{\n \"cells\": [\n {\n \"cell_type\": \"markdown\",\n \"id\": \"7fb27b941602401d91542211134fc71a\",\n \"metadata\": {},\n \"source\": [\n \"# Tutorial 4: Neighboring environment in molecular xtal\\n\",\n \"\\n\",\n \"Source code: https://github.com/qzhu2017/PyXtal\\n\",\n \"\\n\",\n \"Created by Qiang Zhu (2021/07/02)\\n\",\n \"\\n\",\n \"Last updated: 2021/12/06\"\n ]\n },\n {\n \"cell_type\": \"markdown\",\n \"id\": \"acae54e37e7d407bbb7b55eff062a284\",\n \"metadata\": {},\n \"source\": [\n \"## Preparation\\n\",\n \"\\n\",\n \"- git clone the most recent copy of pyxtal\\n\",\n \"- `conda install -c conda-forge rdkit==2021.09.2`\\n\",\n \"- `python setup.py install`\\n\",\n \"- download the cif file from https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=ABAVUW\\n\",\n \"- name the cif file as `ABAVUW.cif`\\n\",\n \"- draw smiles: http://www.cheminfo.org/flavor/malaria/Utilities/SMILES_generator___checker/index.html\\n\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 1,\n \"id\": \"9a63283cbaf04dbcab1f6479b197f3a8\",\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"\\n\",\n \"------Crystal from Seed------\\n\",\n \"Dimension: 3\\n\",\n \"Composition: [CC(C)(C)C1=CC(=C(C(=C1)OC)O)C=NO]4\\n\",\n \"Group: P 21 21 21 (19)\\n\",\n \" 9.6192, 10.6124, 11.8069, 90.0000, 90.0000, 90.0000, orthorhombic\\n\",\n \"Wyckoff sites:\\n\",\n \"\\tH17C12N1O3 @ [ 0.9353 0.3662 0.4499] WP [4a] Site [1] Euler [ 0.0 0.0 0.0]\\n\"\n ]\n }\n ],\n \"source\": [\n \"from pyxtal import pyxtal\\n\",\n \"\\n\",\n \"s = pyxtal(molecular=True)\\n\",\n \"s.from_seed(\\\"ABAVUW.cif\\\", [\\\"CC(C)(C)C1=CC(=C(C(=C1)OC)O)C=NO.smi\\\"])\\n\",\n \"print(s)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 2,\n \"id\": \"8dd0d8092fe74a7c96281538738b07e2\",\n \"metadata\": {\n \"scrolled\": false\n },\n \"outputs\": [],\n \"source\": [\n \"# view the site\\n\",\n \"site = s.mol_sites[0]\\n\",\n \"pm = site.molecule\\n\",\n \"xyz = pm.mol.cart_coords\\n\",\n \"cell, pt, center = pm.get_box_coordinates(xyz, resolution=1.0)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 3,\n \"id\": \"72eea5119410473aa328ad9291626812\",\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stderr\",\n \"output_type\": \"stream\",\n \"text\": [\n \"==============================\\n\",\n \"*** Open Babel Error in LoadAllPlugins\\n\",\n \" Unable to find OpenBabel plugins. Try setting the BABEL_LIBDIR environment variable.\\n\"\n ]\n },\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

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\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 5,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"s.show_mol_cluster(0, style=\\\"stick\\\")\"\n ]\n }\n ],\n \"metadata\": {\n \"@webio\": {\n \"lastCommId\": null,\n \"lastKernelId\": null\n },\n \"kernelspec\": {\n \"display_name\": \"Python 3 (ipykernel)\",\n \"language\": \"python\",\n \"name\": \"python3\"\n },\n \"language_info\": {\n \"codemirror_mode\": {\n \"name\": \"ipython\",\n \"version\": 3\n },\n \"file_extension\": \".py\",\n \"mimetype\": \"text/x-python\",\n \"name\": \"python\",\n \"nbconvert_exporter\": \"python\",\n \"pygments_lexer\": \"ipython3\",\n \"version\": \"3.7.12\"\n }\n },\n \"nbformat\": 4,\n \"nbformat_minor\": 5\n}\n" }, { "path": "examples/tutorials_notebook/05-crystal-packing.ipynb", "content": "{\n \"cells\": [\n {\n \"cell_type\": \"markdown\",\n \"metadata\": {},\n \"source\": [\n \"# Tutorial 5: Molecular crystal packing images\\n\",\n \"\\n\",\n \"This tutorial discusses how to convert the crystal packing into spherical images.\\n\",\n \"From the image representation, we will show how to measure the crystal packing similarity.\\n\",\n \"More details about this approach can be found in https://arxiv.org/abs/2207.12548\\n\",\n \"\\n\",\n \"Created by Qiang Zhu (2022/07/27)\\n\",\n \"\\n\",\n \"Last updated: 2022/08/11\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 1,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": [\n \"# Load the crystals\\n\",\n \"from pkg_resources import resource_filename\\n\",\n \"\\n\",\n \"from pyxtal import pyxtal\\n\",\n \"\\n\",\n \"cif_ben = resource_filename(\\\"pyxtal\\\", \\\"database/cifs/benzene.cif\\\")\\n\",\n \"cif_naph = resource_filename(\\\"pyxtal\\\", \\\"database/cifs/naphthalene.cif\\\")\\n\",\n \"cif_anth = resource_filename(\\\"pyxtal\\\", \\\"database/cifs/anthracene.cif\\\")\\n\",\n \"\\n\",\n \"\\n\",\n \"#benzene\\n\",\n \"ben = pyxtal(molecular=True)\\n\",\n \"ben.from_seed(cif_ben, [\\\"benzene\\\"])\\n\",\n \"\\n\",\n \"#naphthalene\\n\",\n \"naph = pyxtal(molecular=True)\\n\",\n \"naph.from_seed(cif_naph, [\\\"naphthalene\\\"])\\n\",\n \"\\n\",\n \"#anthracene\\n\",\n \"anth = pyxtal(molecular=True)\\n\",\n \"anth.from_seed(cif_anth, [\\\"anthracene\\\"])\\n\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 2,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"image/png\": 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ADNvK1GIZhGOcRF52BcPP+/fzU299NZcUbALVjStIpJQHdgrm7m6CgiaDdjHSt61cQFAWsNJG8QIrCGwfgtwngHFSr3jOQOCTLkaNLFI0qNfwTfncmGSxZBIrYdH3htQWuC9L1moh0udQZzHpRYlHxr5jbqqgCPWNHoag50lZB0m4jK01cu4vWKhROcLlCrQadzmDtcqFop+uXSLY63rsw18C1M2r3LZE3KlCtILlSPw4rVzbQiiPpQP2I0totpKvwgr96B3/zA9/LQ/buPZ1fn2EYhnGWuKgMhDuPH+c7//RtVJf9gF1ZLPpeBMmU2f2tfnhjWWriFsv5tSzzKxPQ3j+gHOe1LChyyJogePd9z4DYVe9PIWSNZGTyLauCFF6LUF1SqstKNuMo0nK1AqUXQ3179YSOlLuukLYyOvNCd17ozkBeGTqB+HOmrcJ7OObqsNJCun7JJcNZ1wrtN01hyAACmm0k9ase0qUmxcIMzNZRhdn9LVavbEAiVJpQLCqd7Y7KkvL0N/8ZH3zhD3Pp/Pwpf3eGYRjG2eWiMhC+/YY3seOE0p0HRaktlwNwoczc20TycpBcbeEW1/y8fDeDrJyjL48T1Qz2qFT724v6qIsgm/W32zVzKksdqkccWktR5w0FAbqzICoM60i0PHNQ7pS0DUlbqR9Tf4xW10dl3FahqPmpBY73xDACtQrSLj+nqTd+tLSKdPT6tPxP6E2ngFRS3OIahQgyU4Pc37vVyxuIE2pLUCRelzC3H5768j/ko7/14yf9boyTo82E7JMLzIZZd9l2RyjI2vbZxZHPsv9gUKeIpOaVRkQsVgtDeMfEaDGBljtwNCibrYbCsLwaiq/QsF42G87Dpavhb+X83aHga/buSMreQ8fD07ZaYVuqo3OCLg3/fMbuSXH8RFCWRMR9O1qhty3pLARlS8vh99OdC8s2209gQl+JXJtEogFO01em7Sdzla3fT2BCX+mGIsXiWHiOZGVUCLlj7dT6iTbDezWJi8ZA2H94kfS4krT8E3v9eIes4cV29cMdXLc0DlZauKW1gcYgz6c3Dkr1f0+xq3N1v0Mng27GzJ05Lht4BVqXz3hvxXD/XPcEcUaOkSTU7lujdqSNOigSYLUDtQqkCcVcnaTtp01wzr+KIjASesctm9oXMapqaSSsUgAyU8N1lcaBFu1dVdLlnLm7cpq7apA6Ms05vrzGDssRYRiGsaW4aAyE3/2bfyNpg6hSO9FFcqgsZzTuWkM6OVp10O6WT+Dad7FLteJXNoj4J+7eXL2qn3Yo8sFnFLrd/jSEO3zCL4cU0EqFNEkHxgN4Y2KI6ReflETXCpUTGuqXPbpMYWkNybKyUYJmuZ/26O3vHCp+P3UOkgQp2ybO+ekSVSTP0Tz3GoU0wR1bRpsdJE2odXMqhyt++gGon+jS3l0jacMb3nET/+t/fsNGr84wDMM4h2xAM7+1ef+HbgWFpJn7KIiAW24h7cwnS1pu+dDIvVgGtQoyPwszDajX/CtNfIKN3lO3K42GJPErAHqv3jHKeX1RQrdTIlNbBLKOWyE4hAz0C31qVa+zAG+wgG9jv815P7KiOB9oqS+6TJLB9c/OIHOz/j6oN4ZkaQW30kQKxa11cM2Ov7fdAtf2y0Tf/k+3THehhmEYxnnDReFBuPnWe0haPk9CddnrCaTZIVntLVfs+ngG+CdoTRKv4odBgA8plwK2O/1ES0Ap9hubSxL6T+B9atWRYCFFMrZdfXTGdDHzHosyWqMUimt5gUJRc6gTv8LCCeQF0nWQDqY1UHzMhW4xaHe9BitrvaaVdcdiOLc7/Tb2tRdFgVQqo0FOnENmGmi74+tmGdrxRoFUKrjFNfJKgqQJ1RNdmnscrlXw+bsP88ArL5nm6zIMwzDOAy4KA+EVr3snSTMnbeZlYKCcZLHpjYNO1w/4IhRpAo0apCmFU0jScvK9nDPIcpxfA9mPrEi7W46fpQEB/ql7CBVAC8gKyP1+rqXU11qA4HrlAlpN0SHjoadX6B+nt0kEyQqkkw2WZabOV+4WvmJSagzATyEML4t0MvAmiJTNL6DiQ0T3wjAXtQqaOH+NIl6D0Mlw1RS6GbrWRLK8byRQqZAcWyHfvc0HnFrNyDPHDa/7O95643NOx9d50VJZVi77YNv34zHSQ0vhDodHRV8aidLmdu4IyopdYbLfPCIqjEaWOxYK3rQVRipM7z0WlC10w/bNHAyFVnktdHy6Trhv9UR43uToclBGZLmwRFbeFAuj6YjzmYgYrRN+N+54eE49HhMGHgrKFlqhkG323rBtWSP8fqL95HDk+g+H3wV55Dp2bg+r7Qz7ikaiRI73lWn7SXJfpJ9k51E/WQivv5gPRZTRvtIORZ/uWHje4sTJxcYLkbTbs/eGbcsaCfctWyTFEdofOsBst8DleX+AQxXNcj+ANmpokqCNan+w9GJD+k/P0sn8wD+TDAyGbteXDXecovAeBVV6ORREgROjkmJJU6ikI5MHvaO4sT7cEwkOGwvDHgChDA2a537FQ7e3LHPofMNegF5Qp1JfMVyu1RQqldFrd2U5+PtWSSiyAmlUoV5Fmh2k0/HahKJAkwR333GoV5g5Kmgl4fBdK3Dj5O/IMAzDOL+44DUI//5Pn8FlBS7Lvdu+NA58pEHn3e9J4gdAJ4PX0ADpszMO4gT0pxu6+cBl36vbm24YLivd9sMvXExZsLElDDE70IdcduH5eu0Zbld3tK0Cg/vTMw7Aezd6Bkc/yVPPyEh9cqdaDalVfZuKAskypNnxUzedDJcVfOGz927o+gzDMIxzxwVvIPz6y9+OlCGEe6GR+7EEqpUyKVEClWRoQGfwc6FItxgdulWh1Q6H88i61om4yK3fxBLH6E6RJDpRyjwMwe7N9ohXRMBrGoanJBJXTnkINKpomkC1iqTpwCgpE0FRKJLlvOrn/mpjl2YYhmGcMy74KYbmUplUqetXK/QjIZYGQSH4pYHdHC0KJHWjbvyi/1MfyXI/QA4XFoUf9KXUAQzHExhO1wx+8C2UgaVSeiwKRTIGxkPPXhnOEjnUNunpIHoRjYaaHTMSdGQ6ofdeHndYVCl4wyFNRoqk2Sk9B4M2azcfTEHkhV8W2vbtEvDTOOXJ9t8ezrEahmEY5ycXtIHw2pe/3QsDVSFN/Pr/3jhYLvFzlRR6QqDe2v+hY/ixdnRwVyeIjImCNPFz9/3BulwpkBde9zBcNy+QdiiMoZuNhj+ehlrVL7UcQnrlQwaBQv/Jf3jFw+g8xPBBJDBsFHA9L0IvvmOWD1KjauFXQwztIyJQFD5TZAtuvukLPPIx123sGg0AXLNN/eN3lEboKJJGoqONC+3qYdS7fK4RlBURQVUMHV+JA9HIehL1loX7JkdC4Zq793C4b0RAJ5VImyMRIbUS+ZOXRiLzRdqsY1H9xj8DZDExZxKKxVw9zFksEZEekXTC6fFQkJoW4T3BRdIYx/rJtrmgSCPty+ciZY3wvseyCY/3lYupn0wqy2P1IsdzY7+30oqMESth5Mf0RCh4TLXANSP9bAIX7BRDlmW8520fAbyC3z+xDw1cvVc5ePe85UF3HO+gvcF+ZD5/oDXwGgY3yJAIg0yPvVfslxn8ALtRYnnGYRCLoacviIkUh6I+eo/AUP0pTi34X+qBjdEzPHSgVcB3esEnvHrZd71+49doGIZhnHUuWAPhWY+6wXsNKF38Q0/x/eV+Y0/H48ZA7wF7vCxg4iCt8YG2mGAITDrOehQT9oksaZMJ5f7cseaMFkqsmpPRsthTQM+SV6CS8qofe0u8DYZhGMZ5wwVpILz+F99OsztkFOSlyHDcMHAuMAqGCbaMTxVAz7IIaqtqP4/B+DEmDuqbMRDW8yCMV+21J9gnfg9G7lmvLHa+4d2TQdyFYQNLe0ZCoXzgPZ/ilg/fFm+3YRiGcV5wwWkQ3vf2j/K3f/lR/0EVepkLBbRQ78bvLVMEJC/rOaC3CKEXw6CnJyjKz71kTDpUL3EwMzSH1Tu2OKimoZFQqJ/WKMotWh4H9aGNm63Jg/64MSMy0CAMCQfBL0Psx3UYQ4siPtCvNOn7Tfoju9dRDKYfGJue8NM3OjSt0J/eUF8uZYAlsgxNEijgZ//nG/izD72MXXu2x6/VMAzDOKfIuBt5jE080p471lbbPOMxr/Tr9nshkHvCH1UYFgY6v1qhPw4mbnRgHo4D0KtTSX2Ao7Ey6uFArL1zjJPlSDOyRJLSpX9iyS8NHGY43PMwaQrb5kb1BUPn10ZtZCVCn5iBoArNtl+hMXwNWRaW9eoPMywIyvOBlyRN+iJKAXRutm9gpPUK77rlV8L2nV9MI8c4K2yTnfpo9ySSSPQ29uwOiorZUfGVxERbzUg0xMjSVyKR2rQZpuyNEYs2p7OhODIIWQ7owSNBWbEciq+SbZF7cumecN+ZUGjnVsOUvbIU5koeT1kcFbxFxHcaSf+rkXb4SKhjbVuK3OMDoSAvj92TWD/ZG4Y7LyLiQ4lEK4z2lch3ttm+Eu0nc5EssLHjn8f9BAjGDWDTfSXaT5Yjaacn9JOPFP/Akh6b6u/aBTXF8LLnv2nwRC7ikwlR/oUfd7mP6wPKZXn9+rHphNh0xHjOhfXqQlRZO9quCRqB2PFOJmrcyLEgMGj6YszxsmFhZ/l54vGzvF9f8YOUlMs1s1x502+9Z/1rMAzDMM4JF4yB8NEP3spnbrlnsFqhl62wx8kG5imILsNJkmAQXc/tIkWx/iPpRlYyTNIyUA7ekwSJRNrYWwIZK5+G8VUSw5T3XsAneQJvVHQz3vaHH+Deu0ZzBhiGYRjnngvCQMiyjJe98E8GWgEYiSegqmNP0+Nz+QRu+qn9ysMehJ52YdKTO378VxkIBkMR47QnJnhy7x9TSpHgetNHRTFob4+IARSbvhgv6S/jHGb4vgwbKkWZXroX9KlQnv/U35rcTsMwDOOccEGIFF/8na8vkySVcz+lOLE/RGnRT2Ws4ud5RMTHRyjrjwxv3Qw6WZhIqdUeHViV0ayIPWrV0SROw4NnvRIETuqvLFhtwsL8YL+RoEvlzyNxC4Ai9/O5MS9GJIbDyDW2h+YPS/GhLq8OhIj9eAmuHND9/ioCtQoMBRPRMoBUf5VGUSBr7f4UhKr2PTDaaiP1mvco5DldqfHSH/wDXv1HP4xhGIZxfnBBGAhfuvWgH5TK5YzaC3tMOVAu+AhYKkIxV/crGsqN0s192ufewVSRY8ve3d4rFPHCwXFxjIg/56QphgkDdOypvBcyOTaN0VsJEKO3AGJcC9GPWTAcDXHMIBrZQ8v7FvN+1GqD6QfV/sF1fiaYWhhO9aqF4pZbPrJaXqCrg2hfWqbY9tcOH//IHdHrMwaIc7hGA5mNpJOdD6PBjeMiqX7zw6G4S5JIBL6YeCoiZowJtFwtIsiLpMRlNrwGt30h0r6Ip2sujAZY1CNR/iL9W1ZDAV2xHIrPAmKiyuMnTr4f4C4JRaX5nvBax4WmAMl8eK0uJoyL9ZOIIDHavqNhtMbiSDgVGIv8N01fOe39JCJwPG/6CfgHxjF0LI3zJNzuXSOf873bw3ZsoJ9Ic/qJgy0/xfD7N77L/zD0hcqQKI6Zmh+40oRivjGIdIg3Doaj/iECq63S0Bgqg7iGYdL8fMzlfjJOZb3IJuInaCRcLxBvd56NbBe8YcRqa/TeqU9sBfh7nDiKhYZP5JQmUK/1pyNk2ItSRpb8k9f9w4avwzAMwzgzbGkDoSgK3v4nNwED7wEwmHuvpJAmFGlCMVsbuM67GdLJy49DA2I3G7jFx5lkIMTG5kkrG9ZjnUF+kvdgmn0nHHBjqy8mRGWU1dZINkgpQzRLt/CrF0pjoJiv+VjktSqaJKWXZ6jN5b39s9/7Z4p19BuGYRjG2WNLTzH89v/+f/6Hofnx/jy5E3SmytplNYqZFE2FPBWyulI7mpJkist89kSXKXQL0qMr8fgEhU42BGI7jA++vTatN5D3ph8m14jv1v9v0rahJ/X1Vhr02jChPDbNoYAurZJdtgAVR5FAkQpaEfJEaO92pE1/f11WR1YzZu8Bllb7Og4RQYcMkNf90jt48Q3fPu3lG4ZhGGeILWsgrC63eO/bb/ZPsFpA1z+FFpWUfPscxx6xjeXrEvKGIrmiCK7jcBms3I8xAaGycLtS2z1bxkzwQjspCiRXZLlF9e4c6Yx5EURgrekH/t5IrfjsYEUk2EzFeZFi7ILqFWSuQbEJb4BOMlQAWln/3oxQ6ECQ2BM8TljqqNWUzpXb0bk6moifd3TSz8PQ2u1YukoGHpUynZumQpFCXvOBmTStkazNse3WBXbevEi63PTTPOAjSDrHu9/2HzznJ76RbQuRuUfDMAzjrLFlDYTXvOLtXnfQzfzgk+cokO/ZzsEnzLN6JagoJAK5kDTFj1siaAX6I6oq275UUDsx5MpPBBJQfLKn+h2HcbkGg6cORwwcJi+iaVX7qybWc+Nv5MmenldiguahfEKPekXy3moMGHFBOBeIeyQvSI+t0t4TEQIB9WNKkSjLV/diQgzO6DJFckc2o2gC2Yxy/GEp3e272PsvJ0gPHCvP4bxIMnW87lV/x8+/+n9Er/eippLi9u2hmIkIEiNiseToqCgxP3Aw3G0mjFTXecS1Qdni/UMBWdoM+/7C50IhJPccCs+7GIq7ioWIgGxHWCbzYZuLmFguFg1wKUyfHBPM6QOvDsqWrh9Nn92dCX+zFr4UptKtfizMO5LfdyAoSyIphvNd80FZsSOSPjoSlW+z/QTOfF857f1kZ3ifZFv4kHEu+gmcYl8Z+y6SiAh0Q/3knumH/S2rQbjpnz4zOo+N//Lv/tZ5Vu4HmgJOcKt442DCIDp3V0H9GNEc5gDSyXArE/JnT3janygZkPU2bg6RyDLLIXQDUgO/Q1wDkCw1va4gdiyFxhGY3R/ZtxQ1pmtCsor3OqTK8v3hrqdtpxiftlDlX9/zqQmNMwzDMM4WW9JA+NJtBwdTAAAKne0pX3rxVXR24q8qh3RZSLqlcRBhZn/OzCHFraOLSw9FLN0+61kCseJ1jIP17IaTGRUTm7HO1MO6Vky8fhpZJtfDFTB7n9I4MMGIQEg6QmVJoBBw0NkNX/yJa+huSwdLL8tgVwfvPT7xXIZhGMaZZ0tOMfz8C//E/9AT/30bXPLkFpelt1JNuqx2apzozlLkCVnmKHJHUZTvuaMoBL3P4Y7VKSr+oVlykGI8NoCSHlqa6F2YnHVxExd1Kssc12PDHosJXpFCqRxcItu3MHJMBdSBJv69cVip712BPQXOKS4p/Mv59yQpSNKcHZUVGtUOnbxC99cTFt9dx/09/eWqP/fCP+bNf/OSzV2zYRiGccpsOQOh3c44dvCEz0bY7qKVnCf+8BdpVDo4gVyFjy3djz0M5ot6wQ9RQRHyruPT91yHXtPTBDB4V+8yl8Iv1+vqbhY+W86D9ZT36n/W1mI8sFChSBE+SReVGlSGtAlDY3dRTwefx8fo4VUaI+WD87nhaYbhqqq4yNSAQpg1EsCJDyZSRp0cjumw9BXzrDwgoUi9B0B7cgMdHFQEpNvgwV/2BVyiSHlDncBw6IWEnK/cdmc/EOXKC2r867vuj+Q+AuW9tx+mKApcLP+FYRiGccbZcgbCLR+/c5CquN1mz4vWqCRZf2Xhvc0FP40+NK4MxhgfdvDY3QuIqE/xPE4pxNcEqCTk85V4qk7w6/cjA7dMinzoThJ/YNI21Xjq6D7FqFEgoz9Hj1oUXhQYNhLqteAwAN1tFfJG/J71m1p+XDkyy87Lw2hsg9MLB1vbuLSxhBOop112/9AyR1/X6Isrb7vtIA984KUTj3GxoWlCd99CtN+6dkRAtTQ6JRQTWWUPviYo+9KzQhHUN3/1x4KyT5/YF5Td967Lg7Ir/jYiNLsvIoKLXFcWiy5YDQXAbnyFEZAeWgz3jUSOdJfuDcru+9rwvDu/df/I50dsD4WG7/6Phwdl17bDeyw3fSIoG/++AHR3KD7Ld4SpsmUhFCRq5O/JNP0ENtBXviPSVx598r5yMfUTOL195ZT6ybYaeiC8L5PYco9nn/2Mv/kCyJzy0G85SDXxA11WOA50t0fDfw5z6PZdFPkUNylXasci+c7PBKeiQdjUnMbGqR3tQn7yuZAiTzh0+65166hz7O/sIC9VlNWk4GHPOIjM9HQlyqc+cfdpaLVhGIaxGbacgXDb5w/0n5Yv+7lVkiGF4T3N7RTF+oNlc6lGtxVavTGkUConIm74HpsIcXz22aDxsM41VU9kXkQ4BWuLdTpr69/nohDuaw6W4qQuZ89LWmU74AufD61uwzAM4+yw5QyEWz97LwBuZ8aDH3+QSmkgdIqEQ9m2k4Y5PnzHDop8ukFTE6GytI6BsFHO1IP+ut6HDR5rHQOhspihyfQHPHL39vVP5Rz3dXeQDXkRHvqNB5A57wb8/K33Tn0uwzAM4/Sy5QyEowf9vPYDX3oH6ZD34Etru9FJi/5L8lw4cvcOph01XaeYuARy3bDJ5xMbXuY4+dqSriLZdNethePQl3ad1MlSqHDn2mA6opLk3P/n7gLgntvDecCthIi8UERuF5GWiNwsIo8f2nadiPyriNwrIr8lMil7lmEYxrlhy4kUeyPO/A6ferMoAIV24S9Fywd+SUPVnmaCFsOyexjI6sL8Cf1AgyNH6W1ef+TrCQBHxIrDqxE2GDFxwlkmL4+MnGdao2Y878LIXto79lg7/dKOkfI8k7FLGhxJM18oCTTzik/oWH4N23b57zbfwombROQ7gd8GXgj8W/n+9yLy5ap6F/C7wF8BHwReDXwX8Nb1jqlOyGbiv7IuFstrXGjmQt1Nc18obrvm+vuCstdd/pGg7H07wimkF17xQ0GZ1iNR/lqtoMyNp1OHqCCzqEXSUce0MZF01LHzSqR9a5eHx3vNNe8e+fyNM6E+6clfticoa+67LCibif2eR9JHx8gbEf3UlFN/U/UTmL6vfNnm+srF1E/gNPeVU+onLipencSWe2qZ3+nDZ37iNddRqMM535evmz2MiCIpSAqDQX9wM9JawcLengK0t80RfcwWQWuuvwpgvMa6GRZ7IY7H6wynlo6x4ZgFJznWWJTFXptk0rLJkvGlhf3VjM7nV4jeL5WygpQv2H3libHFF4PvpPc9iSjXzR3GJX6hRqGOT776AQDsu3znFPfgvOUngTer6h+o6mdV9UXAfcCPlNt3ADcDnwLuALafi0YahmFMYssZCA+4zi+X6Xy+zu1f2EFeihJnkg7bXPOklvSea47hkumeTCVXunPx1Q4nTcEc40zNSpzO465zXd2FNG6BR3CJcsk1J4mGWCi7khVqzlvwWSF8/pO7ye7yyyyvuz5cRrcVEJEq8EjgfWOb3gc8tvz5F4B3Ay3gwcBbzloDDcMwpmDLGQjXDa2L/+KvbKcYepq9euYo4tYfwOZ3r+KSKV3tInS3r6PEP815Fc4IG84OOXlTZ6EytXuqUusysxC66UZO5ZQrZwZGhCLc+avz/XZc+8CtaSAAu4EEGF/EfRDYB6Cq7wP2Aleo6teqapgdBhCR54nIR0Xko91utIphGMbUdLur9P6mlK/nTaq75QyEBz340v4g1r3d8fmP7yYrvQj1JGOHW13XiyACu+93DFkvAUOPBNo71pFpnKYwxiff7WT7rXO9Gz7Z5D3au1Kf6fJkR3AFl1xzbP1KubInXaLq/IqFbuH4zIf3kN1XdkkRHvyQK6Zu9VZEVTuqGkaCGa3zRlV9lKo+qlKxFNiGYZwalcosvb8p5euNk+puOZHiwx5+tU+brIqkKXe+aoHr/uIo4Aeaq2aPcXx5Fl1noNt91QkOfnE3IyrEnqav92M5XZ5XZSDuK99lWADYMxKGB3GRSRkNJg/2Oi6eHN++3rYJ28twydE9JwWTEvERIiFIT11U3OCe6WiU5ZFw1cCuK8LoZCOnT5TLGycGl6DCPTfOI2naOzxf/uAtayAcwXfI8dBre4FNB3cQVdJmPr3IaDwCaCT8d+NA6OW57XNh9MofW3h0UBaLpDh7T9g2aYWiMlePpCKOpCyWPDTkXTu8jlg9IumTY+eNtW9mf3gdr7r9m0c+/20kOt4XPxeKzK6N3OPo72skjW+MpDnd9UcjxcaIRYqdtq/curm+cjH1EzjNfeVU+kmhg/FrCracgbCwfYZKvULW7EKjji4XfPBfruX6RxyikuSkkqNLjlalQpFLP1FTnjny3L+KLGHH3DKtW+dwOYNETbmW7+XnrjJ78/6JwYEmhmBOXHQAlnYGRVzT4LLuRHdO7+yThoVCQCb9MejmkEbOmedINfxFQ4Dllej5Lnn/CquPuh+ayEiCpv5nB0WqNB60wqEDC6RpjkuUJPVJmgYJm5TZvM2Sa5BpQidLuPU/90G7Cg1/72a21alWt1z3BLxnQERuBp6MX6nQ48nAX5+bVhmGYWyMLfkX+Gd/+Zn86k/9hQ+KVEDrxhr/+mXXc+BbdvWf/KUDSUv86rsJSwq3dwtqizo5W6MTst1zpIeW44PzpNUAm0jyKMLEdpzseXHd54QNz2rEz6YC3T3zCILk+Ofj/mobf5LCQXuHcLC1AF/YHjmIogJ5Q9EqUHhDbO+7jrD9C81yUYm/mlf8xndvtOHnG78J/ImI/Afw78ALgMuAN5zTVhmGYUzJltMgADzhyQ+hl9yoNx2w/dPLXPOH95E08eEBapDNqX+yjY2SIpy4ztGd80/gk+juXVgnOuPEIAQTis9BcKWNpqqeuIOQ7dk2YZs3DjrzsPgAFzXIFP9dZPMD4yBpwtV/sL+fLVPB32uBr/zq+08811ZAVd8G/DjwMuDjwOOAb1bVO89hswzDMKZmSxoIAFdfv4/h/MEK1I62ueqdq9SOAgXglGxeKSoaNxKccOz6hLyxzjg6U0UrExI7TRIprjf2TtQgTNiHdfbhJMGPdB3vyEQ7IN4likYFrcfnvlQga8CJByYTjYOi4r8LRKGA6hG46m9WqJ0YC/ohwgMvEHGiqr5eVa9W1ZqqPlJVP3Cu22QYhjEtcpLoeudtPOH9dx7muU/5TWi3/UDYzVGgmK2T7Znj4GPnaO5T1Ck4kFxI1gQpGAxihRfcua6y89aCpKkDvYEM6iVHlqndfiRcHSECWZjyWffujmoQtJJAJLpXvy0jApLhCIy9A4wczf/fSxM9ycvRzpBuRJhTFMjBsVDGIl6vMN4nnNB+wB7yMkjVsLjTR/cTjl3vfBAlYdAW9V6DfEbRxBsGkguNg8Lef1smPbSMa7b9BfZ0G/Uaf/B3P8mV978kfj1nn/NmLetCfZ8+9opnU8xEUvs2QuMtOTqaFja/656gjpuZCco6j7g2KFu8fy0oS5vhn4eFz4WpaN09h4IyqYfHKxbmgrLYI4xkEUFeTPMTS8W+FC4V1U4oPisuC/vf0vWjKXW7M2HXWPhSGKqw+rHbwuOvrQVlyVWhYZzvCtP4SjOMpOfWQnHbZvsJnPm+cjH1Ezi9feVU+8mH7vkTFlsHpvq7tiU1CACX3+8S7veAS7jzjqN+ccBqGwGSTo678xhX3HuC1hXzrDygjqaCppBXIas76ocLXFdJMm8cSK64dkFl/yrpWuaVrnnhgwKp+njO7Uh4y0oK87P9oEl9Y8s5qCThgF4U0JnwVN/NoJMNOutQp42KFIdXGFTTqBJXBW94pGPRIgXoKmybKw9Rtr8oYK0VDb1au/0o3Hncr4xI/ICuiSObS9HLZtn1KUeRCpoKeQp51dG+xJG2clwHXOZFn/NfaFG7exHJCi+sTFNv5Mz43OX3f+Ce88k4MAzDuGjZsgYCwG+97YU849Gv9IOpGw0r7LoFjfvWqB/torUUrVX6okLJcv80O37AriBrnaBcJ04l6CB8MkMDLb2QysOVxQ/+eRF/JC0Uull020lNvTSZHPvBxTUBvomx8nh8COlZ3lombMoKFKhUKlQO9FSL/UODA02TwT1vdpF2hrTaSLlvv13O9e/jr//p8092tYZhGMZZYMtqEABmZut8+cOvBIYFi0M5EFpdpFBcO/PulnIQ0jRBXSRWQaOGVitBuYjE4wZMSq60GTHiOlbASZMsbSrsc8QQmLQqIwmnRRS80dWoheVORo2D1Y7/DrK8n2hkYEyVxxfhkY+9lpnZyLpnwzAM46yzpQ0EgBvf9Fz/w3AcgDJQkYB3mQMuy3FrncEAWEnQ1IVGwvbZ+IAbGSQnGgKFbiLE8SlMdW90X10nWMaUBgIisDAa2U8BTcvpFYBCcSttXLfUaaw1B8GVhjUT5Xf3S2/4vo1dh2EYhnHG2NJTDOBd3DOzVdZW2oMIhk4g9+sWJFf0xDKkCSKCW3EU9Urf9a6qpXCRgfCukkC7OxQxkdKNnw9c+epFhZOjJpZ1pHeA4eLJcR4neQsmehFikRx7lxJkjgx1DcGxRgQPQwLIodTLKuJXNPTTpPqbp04gw9+XvMCt+ekEVEtdw2BZqlbSgQdGhO07Z0hihogxoJtRHDiE27E92JTXdoRlO0YNuKQzHtgRiiNHg7LKf3wuKLvk46G4TSNpcjWWOnj7QnjemNAsEsbbHV0Kz7GyEtabC49X7AqX5erOUMzljoRRP+XzdwRlC58fqxPzrEWEbLHftWRf+F2Mf18ARIR27nh4T4rjJ8J6m+wnEO8r+eEjQdlm+8pp7yfHQtGjLkeEkOegn8Ap9pVLR6NQnnI/ifzeTmLLGwgAb3rPT/OdT3g1NKQ/aKPNwY0ogFKVKpT9a3jgdC6cjx8Jo1yOl/PzI/upKszV+3VGNAnj5+gds5MPwn32BYnlf87BseNhL5mUIlrwv1SdbPC5zE8tlE/zI1EUh5ZDpMlAn9Brb9n+kXuhCu0hzwsgRYGsNGGlOXIvkjJEc994GjIqqFSQnmdndsaLE8F/GaL88ft/Jrw+wzAM45yx5acYABZ2zPIDP/YNZZCdcnAbitct48sAx+MRFMXJ5/kjSO+J2znvJk8Tv5ogTehFdBx/SV4MXoX2Y2P3Iz5uqBn+eqWcMvDHK0bOMakdJENt7S0xnCRcPAmqY8YAjH4eNsB6Syl7JI4bXvdsqvVI2GfDMAzjnHFBGAgA3/m8r2N+W33wJJwkY/PcG3OWRMfpmBExPjCy/qoDTSK6h2EmJVGKsY5BoeW5Ju4a7KD9JE1B+TSsV690rykgtepgWqaS8OCHX8V/e+KXT3cOwzAM46xxwRgIAL/5J8/3T8O9p9XK0IqE8YRFMff/MBrGXox6GfIiPjhOGi/Tk9zyaTP19equV32SgbCeuHK86liZErm08TYM7zO2zFKrVX8fy6JXvemH420xDMMwzikXhAahx5XXXMJ/+5pr+fC/ft4PgpW0fCoW/7CduFKjQPkqB9Ci8IF/eqsPVP02LfxYquWwGFsaGQls5D8TNxImiAr7T/CxeAbD6aWHKdRHckyScJDuRVicZLxMMHaC0sShOfSmM3oJlXRIYIj4ffvGQKs91FYZODpcgqDlqYWfe/WztmzGxnOBFgVFs4lE0r26lTDKXTE3ugQ1JsaSSLQ96USCgrVDQRU0gxKJBOyKRcOL9r/VMLJcsRgRWkXEZ0nk90ZmG+G+M2FbNFLPRbxp48K6WDZX2REK7TTyfcXaEcOthhESdTkUaRbNyHcR6yfLkXsSWVpcxER6jbDNEhO8TdFXpu4nEQ8trbB/FidCAeH50k8ApBJ+F7Jze7jvNH0lMg3sVsPvf1I/0dg9ncAF99f5htd/Pz/8lNdw990n/IDVqKNZ7u2BcSVpb60+XplPGgkqNC7YG/7D1gs53DM6hsmKMhiTDgyF3sDcbseNh1b5x2DaaYaigNU1iP1iifjrHfZICCji/UaBxwQf02BcXDkukIwZNp18sOIjz6FariApy3orKiTx0SXFCd/zgifyxKc9YrrrNAzDMM46F9QUQ4/fe9dP+Cfr/hPuIIgSMBjkiqHpgSnn2nXomH1xYk/3MITQEyTqqBgRkEnzApuJhTBhHxF/lv65Cx9SWvIiFCL2XP49seLwNU7Tpp4hMKxjGF71gDfOtPQ27NjR4Nk/+d83fq2GYRjGWeOCNBDSNOVN7//p/pLDnlivP2RF3PwyUoF+/ZGi4eh/4+XRZZITdAuTtAGbMRAmaRZiyaJU49/4BEMg0GBEyijGYjrko+4r7bVF/FQDRcFb//OX4m02DMMwzhsuSAMB4NKrdnPplTt81kJkJEthb6BTxSc0KlHVkQE9Zg5Eh+NJA3tSei96UxO9lztJ+uhJT/DR8knndiPn7GsGJhkUY9eg0SOPGgPai3dAL5TD0L3rxVQoj62F1zc880efFD+/YRiGcV6xZdM9T0Onk/G0R7zC6wGyMlNiTxJQiuOKxPmsgj0dQe/pvnflEXe8DA2MvTIfGCgPyxFvpOjoMWLJnBQFLcLQxlqGenSOka8kL0Dc4DA69EMvYNTwpmRs/57B4Fyw2gAn0dSoA8Fk+bmb+wBIAtLu+gyYWbfvSeh7EKoVtF7lvZ/6lfCY5zebcOucGRYql+hjtj8jamDK+CodgDHBk8ZS586FZXkkJXAsA2myHAro3FKYxjgauW1KnU0s2lxsOW5MBEYjku44dp9ifwMj7RsXixUzkXNGcGuRtLsrEVFhK3KtEcGbZrHlyLHcKpHUxrHrj4gtNRKXpJiLifmmuwfjfeVi6ie+LBJdMvKXJYmlaF4ZFe9KKxTzEhEWR/tJkXPTif/HYvfwVH/XLjiR4jDVajp4kiYpxYo+KJF2MqhV/c+Jg5oXLKowGnApy5HuUAZGETQvkPZY1kdV/yWdLCRyr3qtGmoB3AShZGT//jm7kWWWqn4lwfDuqj7F8zjOlUGlhkIpAzpbGwlpquAjM/aMlzIzpauk3pPQ7PhBpMjHjAPxA1UlYWYh/ANjGIZhnJ9csFMMPb7vR5/UDyss6UAoB0A5yEs7GyRY6s89lINpmkAytrwxcWg1DfUJMet0EtHlhxq1Kie5cXTC1o0sYwmeMgGtpSM6if5AP2wc9KI/qkInw3UyyHK0mw20CiJQrXpvRJrw4v/9tOnbZRiGYZxTLngD4bt+6PEUTtCkdJkPqekpCmj5J19pdvwSPNXhh2kAn7xpXHBY8YNof+69N7XQn6IYmv8nIvCbNIhvdFInEFaOTn8M9BZjOggodRn0V3MoeA9GbWA09IIajbvcJC+nWvLC37s898s3e9flxHsmRHwK7cTxhG98yAYvzjAMwzhXXNBTDADOObrXbSNf7JC0ClwBrtklWWz6ufNWG9ptH/Sk00Vna4hL0Fyg4qCXqbDikE7hl09qAYWiRYFk2WBqofdEPTxFAf4JulHzZWUwpH40wZ4aUGRERHmyCaJ+HcEbPL3z91ZPVFJ/3iQBFFltjhoTRQGtHKTbP79WKz4kdasziEiZJn4Kpnd8FOnkSFFAViAra0ing+YFpClSraJOyHfPo4kjqzuKitDYPYPbSBhpwzAM45xywRsIAC958VN49eveS9IpqB/poDNViizHrXaQeg1tt72IMc+9tqBSGQ3ZDIMBfCyzIYWGAhEt3fG9/fPCBzMaisSY1xI6l/jcEZIVPi1yNwcKiloCueJyRTLFtTJwjqLmvCckcWgCrl34c1UTNE3QVEChdqiJ6wx5KIoCWR4SBamWhs6o+8E5N7pMUQZegCBAVDdDu13Ic2/s9IwDEYrtM/2EVd0dNYqK8MqfeeqGvzdjlKJRo/WV15A2Q/FRejiMGsfhY6Ofjy8GVZJI5D92RtLfViKCtzzi7opE0dOIqEpmw8iP+SXbg7LuzlBAltfCtoz095LqifC8ydHIfWqGYsvhZG89xqP/STfSjnYotIulIo5F/ouJBdm9IyjK9oTfT9YIRXXRfnIojEzJ4TDlt54I72cSSccskeicRTUioh3vKxdKP4lFSIxFiYz0laQTfj/ueCRt9djvrUaOz65IP7kkjIaZNRKKD08XxRMuEgPhaY/9cn7lD96LFI7uTEJlLaeYryPd3EcBrNXQdqfvHvcDn0OqlUEUwN7Kg1rVGwTjrvThDl8oDP2OSO+Ywxkme/m7RdBK4l+NCq2dE0SKMVSpHyvGvA3eqBiuE/wyjkeEhIEh0KNcedA3Dobqa6ucSshLI2PIc1DM1NB6FQU621LUCVlNeMLDHzDdNRmGYRjnBReFz9c5x4O/7HIAsvm071LPd8x6AaKIDzNcutKlKKDTQVfXoNOBbhftPSmrere9K93uPUNhKGwz+CUmin/AV0DGPA+S69QL6MK0UQOihxhZaumXHw63Rce9BD2LtCj8Dr3U1T3DIM+9x6HTQZdXodv1BpNzaLUK9RoqXoio896S10TIZ/y9fuwjr5nuQg3DMIzzhovCgwDwku94HM//zNtI2kJrW0pjMSOvOtrXbKd2vI3gEJ1Fjq964aJz3qvQ6TI8ed8PFdQPajT0c5qMTC0Ue7ZBrj75TafrVyj0dlO8GHLM07AhYnZD7lvYXw3h1AsPZ+fQagoIyZHSzdgb/Huvvs5gcHgZe0cEqXlvgTZq6MIMhQgqSntHhcqqkmRKe3sFFSGrwoue+biNXplhGIZxjrloDISvvO4KsrrgukrrkpTWroQ0E0Qhn0uZ3d+EQtAds3AcbyTUqmhvOqGX0bG3uFDxcQxK4V5fgFguBRSA1Q7MN9ByVcDy1TNIrqTLXSqLXaRbUJQrCU41Go8fvBXXLcgaCd2FCt15f975u8p5MlVkcUyLMJw7Ycw46L33jYPEIZVKaRxU0YUZP0XiYPWKGbTi6OyErKKICJVVyOaEay+/5BSvzjAMwzjbXDQGAsBPPe+J3PDef6ayCqJC/bCStqGoOlYvqzO7v4VQGgkngGbHL/nrZOUTNgwPnaNGAn4k7XbRSgURwa21KbYNggMlaznZtgqdWkJnd52VnQUuESpLBbVlSDr+8Oq0NBriZkNvykHUewryGrTnhe68g8wxc7wUoahSWewO74g02+Um9Sswynoxz0HvZ28cJFBJ/VRCo4ouzPYDS61dVkcrDhXIatDcU/48A6/51m/a8PdkxOnOC/c+vkYlzOLKtjtC4dG2z44KqGT/waBOcexEUOZWwyh3sdTGsbS2GonoJjNhgKz80p1B2eJ1s0HZ8pXhLGg2G7rO0tXwd2X+7lBAtu22sF56dyhS00iaaRm7L2nsnnQjqYhj4rtqKILUy/cGZUsPCoWBS1eHIsDuXFC0gX4SEWRG+8rxsF4kzXT0voz1lWn7SXZZ2E+Wrj2P+kkkpfRm7wlAERFCjvcVvXxPUGfp+un7SffT0z+OXlQGwvd+1VfSkpwb//4DpGvQ2i3MHFRcF4pawtq+GjMH2n7g2z4LlQSXFch84g2E1aaf3899tECBQW4DEajVvEahF1Som0Gri9a9wVBZy8nm0v4+aeFobfdivlVKXUJRoFVwXcF1lKQLyRogSt6AvAJFFYrUt3vlimQQ8bBQ6seGvnyFdM17CFS1H6JTKymaZ4iUwsR2e6CP6OVWSMqoiU5gtuFjPmSFX0Ux3+gvp1zbV6OoJT6cQgrNPd5oyGfgl572JJ7+0Aefya/UMAzDOENcVAYCwHMf9SjuOH6Cv/z3W0jasLZHmD2gkEM2k7K2W6msFT7uwY460s6oHGsiTpBts7Da8vPwrkC72VDOA0W6XajVEBGK+RlIHYp3+aftAje27MiVHoPe47omQmeXoOMGrQ4/0/cQpAO1xdHypDtShaSV+6f5RkKSV+CS7dDNcctN74Jot0vxJX0jQSqpDyqVJjDb8FMKTujumUNrPrSy6+R05hzZTFq2Hdb2St+j8dzHP4rvfuhDN/09GYZhGOeWi85AAHjlk5/E7ceP89FP3Y0DVvfAzGEoUqE7W6WpUD2RU1sp0FpKZ+8c6WKLZK2LzDW8eLHZ8csAu2USKPAxBNptbyQsN9Eds4hLKaoJaztrJG0f76CoendY0o24emIBFvsigLHiSF3XGUxBuE5OZ0eNvOaoLHVx4pNSuZVmufyxDXk+SGJVrmjw0wg1pOaFhvlshWxb3XtGBDrzCe0d1TKGg/dkrO2BIoGiAk982P35uSd87aa+G8MwDOP84KJY5hjjj7/jmczuq1GkkM0Ii/cXmnuFvOKfhjs7U1YurZDVfZjm7o4G3Z11VASp1tC5GR87oF5Fa9Vy9QJeCNjt4igFgUM6gHwmJZtxrO0Wug1BugSOgdigP5HxuuLLug1hdY+QNxLymRRRSJf8fJcsrfmFF91SfCl+OkRr5XLFWhWdm/ECTRE6uxp0tzf8ssW6sHpZhfauFE3KKYVLHIsPELJZQRPYddksv//0p2/qOzEMwzDOHy5KDwL42Aj/+YIf4e++cCuv/rcPcuDoMiSQ1SFpC9VFxQms7UlJ13JmDudoktDdNeuzGLYzXKfiww7nOdrpIt1SzJhlUBS4NKVYdsjCDNWjHTqXeIFZc6fQ3im0Cy8BLFKQUq8iBb0lEutfgCqucH1vQZFC0lVW9wk4wbWVdM1vqx5te8nAiVVcy0eNpIxjgHM+Mle16iM0VhOKaopWfYhlKY2etd0J2WwCzusfutuErKbglKIK+3bN87InPIGnXPvAM/adXexIIyf9ikVWV0KhWXc+kra5un3k8/ZIGufkvmNBmUZEikU7IlyM9NGY0KzYtysoW7lfGCFv+arweWXtijDanM6EZZ3VSHpewrKkHZ53vh1GoXMHQ5edro2Kz4pINMCYmNPtjES5uzQsi4k0T1wf3uPO1aGQbWYuFNBttp/Ame8r0/aT1au2fj+BDfSVHduDsnGh5qn2E2lE0kBP4KI1EMAbCU+9/kE89foH0coyfv/m/+R3b/ow3aaS1yFpQeMQuMLRXfDueSnAZQWum+K6Pi+B6xa4xTVcVgYU6qU8LgpkaZlkqUEyN4NWdtBdqNA4WrC2x/nQyw46C/5J3nW8y957FcaWFfRyN/QQUFfQWRCKqt9eO+pwTqBQGkcLRKF6vEP1wCIsr0Kz7TM9lkmrSHyq52Kmhm6boagIRTXx7xWHpo7CAc4vBxWF5i4hrymaKq4hvORxj+WHHv5IqrEwsYZhGMaWxf6ql9TTlJc8+jG85NGP4eDKCi/4//6GL33mMMwIrXq57LDwYkaXO1wOleWMmf1tklbu5+63z0Ex6yMxdnPodn2Y42YLXVmldu9BqvUa6fWX05mZI5sTv0Jhl/gn8zrgwC10BrqDQtAugCAV/8TeMxSy49WBHZELSdPvky4rM19cofr5e5FWG3UOSRJo1H1OiErqVyk4b6SIE6TVoSClua9KNptQpEKR+vb0sl8mTqh2lQc+cC+/9x3fzu6Z0Mo2DMMwLgzMQIiwd26Otz/nf57ycYqi4G/f9AH+9Nf/npXjy961n+XUP3kH+z5RkFcSFv/7dWRzVTo971U54Esv6qJTJKEMvThAc6AYxGCoHoPZe9osvPsLJFnenz6Qeg2ShG17FnjuL3wbT/4fj7asioZhGMZJMQPhDOKc4+nP/Tqe/tyvGyn/hRe8iZs/8AVSVXZ9bJHdN0Pm4Oij51l+QI2sniAzeRjneOhnbSZUjivzX2yz86ZFKuL8k/6le8EJj33yl/Py1566kWMYhmFcnJiBcA74lTf8QP/nF3/P6/n8x+8hKQr23rTM3psGkbmKBDq7EtauTCCHmXtzqkdz3LDGREBdgjrhKx59f17zRz90Fq/EOJuoCp1O4j1HY+RhMDza20c9Rc29oTCskW0PypIk4mGKRQOMiBR1PhRQ5bNh44ok3DcJT0FlMWxL3ortGykLdWFo5Lyx9knkOoLrLcIlR9KIpB3eEabdbe0Jv4vx7wsgr0ZEcHlEkNaJiO822U/gzPeVLdlP5kKBp6xF+kl4uJFEff16m+wrp9pPVKMtjGIGwjnmd976wv7PP/8Lf8FN/35bPyGUlB6Dmf3+nQQ6l4BqgYgDLXjCN3wZN7ziWeek7YZhGMaFixkI5xG/+ivfFS1/wYveSLXq+J3fMO+AYRiGcXYwA2EL8Ib/87xz3QTDMAzjIsPk7IZhGIZhBJgHwTC2CG7FMfOhuX7UzWGqK6FIqX5stGLtaKjucqthtDUiqXiJpXaOtFHWwuOlR8LnkPk8FPjVToQitWw2FN8VaSiycll4vHQtLKsshoq09EQk8l/kOoJUzhHhGZGIebF7XDsa/undFh6N6lIkZe+dETFfJSKg22Q/8e07s33lgu4nkes/nX1l2n7SuSvsE5rWcCvT+wXMg2AYhmEYRoAZCIZhGIZhBJiBYBiGYRhGgBkIhmEYhmEEmEjRMLYIlcWMy95zMB6VrRsRRo2JoLQTiqI0EvWuiAjPNA9TxIqLRGRbWQ3rLS0HZcnRUGg2UwlTDBPLEhqL3hcRs0XFcuNCQ0AjYrEicq8YuwdaRL6HJBSLyeJSUJYeDgVklXpYNlcL75OmkaiJsfwqm+wncBb6ykXUT+D09pWp+0klck9EuHMx0gcmYB4EwzAMwzACzEAwDMMwDCPADATDMAzDMALMQDAMwzAMI8BEioaxVcgzOHo8uikmgpoGiQiZYmVI5FkiJlKMpICO7SsxAVmMWFS6IrJvJPVylJgwrB6m3ZWI6CsQuOmU54wR2TcmAoylTo7e96lPu7l+Aqe5r1xM/QROa1/RZjOsE+snMZz4vyNTYh4EwzAMwzACzEAwDMMwDCPADATDMAzDMALMQDAMwzAMI8BEioaxRdBalfy6Kza/f0wYNi3T7noK59BTaN60yOY1evGUvUGdzR9epjn+GeCs9Itgv4u8n8Cm+8qp9hO9JSKsnIB5EAzDMAzDCDADwTAMwzCMADMQDGMDiMheEXmziNwrImsi8h4RuW6sTk1E/o+IHBGRVRH5WxG5YqzOt4jIZ0XkSyLy/Wf3KgzDME6OGQiGMSUiIsDfANcBTwe+ErgT+AcRmR2q+lrgmcB3A48HtgHvEpGkPE4NeAPw48D3AS8XkSvPxjUYhmFMi4kUDWN6rgP+G/BwVf0EgIj8CHAAbwz8XxFZAJ4L/ICqvr+s82y8IfEk4L1AFciB/wJawAlg/mQnLypCc28Yzc0wDGNaisr0Kk/zIBjG9PQSsbd6BapaAG3gcWXRI4EK8L6hOncDnwUeW35eBn4f2A8cAz6gqp850403DMPYCKLrL5k4N+tuDOP8oW9ui0gFuA34KPDDwArwE8Crgfep6jeJyPcAfwxUdOiXS0T+CfiCqj5/qGweSFT1xMSTizwPeF758Xrg1tN0Xcb67AaOnOtGXETY/T57jP8deaOqvjFW0aYYDGMdRGRl6ON/B54B/CFwFD9N8A/A37OJFeGlJ+Fkdd4IRH95jTOHiHxUVR91rttxsWD3+/zEDATDWJ+HD/28X1WbwMNLrUFVVQ+LyEfwXgXweoQE/0R0eGjfvcAHz0J7DcMwTgumQTCMdVDV24ZezaHyxdI4uA54FPCOctPNQBd4cq9uucTxQcCHzmLTDcMwTgnzIBjGBhCRZ+HnSu8EvgL4beBvVPV94A0HEflD4NdE5BB+KuI3gVvw0xHG1sCmdc4udr/PQ0ykaBjrM6ItEJEXAz+DnzK4Dy9IfKWqdobq1IBfB74HaAD/CLywXM1gGIaxJTADwTDW5yykhjEMwzj/MA2CYRiGYRgBZiAYhnFBIiJfW+bB2C8iKiLPGdpWEZEbReSWMl/GfSLyVhG5auwYlldjCkTkf4nIf4rIkogcFpF3ishD1qn/++V38tNj5Xa/zyPMQDAM40JlDvgU8BKgObZtBngE8Cvl+7cBVwLvEZFh8fZrsbwa0/B1wOvx0UK/HsjwOUp2jlcUke8Avhq4N3Kc12L3+7zBVjEYhnFBoqrvBt4NICJvHtu2yNBS1LLO84FP45ekfvJM5tW40FDVbxr+XN6nReBrgHcOld8Pv/LnSfgAY8P72P0+zzAPgmEYhmdb+X68fLe8GptnHj++9O4lpWfmz4FfVtXPRvax+32eYR4EwzAuekSkCvwG8E5Vvacs3od/Wh3PEXCw3AaAqr5KRF7HSfJqXGT8NvBx4Kahsl8Ejqjq703Yx+73eYYZCIZhXNSUT7Z/CmwHnraZY0yTV+NiQUR+E5/d9HGqmpdlXwc8h9HQ5ZvG7vfZwaYYDMO4aBlyez8U+AZVPTq0eTivxjB7y23GGCLyW3iB4der6peGNn0dcClwn4hkIpIB9wNuFJGex8bu93mGGQiGYVyUlOm734Y3Dp6oquODkOXV2AAi8tsMjIPPjW1+Pf4+P3zodS/wW8A3lHXsfp9n2BSDYRgXJCIyB1xbfnTAVSLycLy47V7gr4CvAp4KqIj05rkXVbVpeTWmR0R+F3g28HTg+NC9XFHVFVU9BBwa26cLHFDVW8HymJyPWKhlw1gfC7W8RSnnvf85suktwA3A7RN2/QFVfXN5DMurMQUiMmms+EVVvWHCPncAr1PVXx8qs/t9HmEGgmGsjxkIhmFclJgGwTAMwzCMADMQDMMwDMMIMAPBMAzDMIwAMxAMwzAMwwgwA8EwDMMwjAAzEAzDMAzDCDADwTAMY4OIyHNEREXk2pPXPnuIyJvL+AK9z1eLyA0icv8zcK47xtNoGxcWZiAYhmFcOLwS+Pahz1cDrwBOu4FgXPicLNSyBYkxDMPYIqjqF891G4wLB/MgGIZhnGZEpCIiv1y64Tvl+y+XCaJ6da4upymeLyK/JCL3icgJEXlnmaRo+HgzIvJ7InJURFZE5O0i8thy/+cM1etPMYyFmn5/WVfLcsqfbxg7z9XjxyzLX1JeQ0tEPioij59w3deIyJ+JyGERaYvIx0Xk22N1jfMfMxAMwzBOP28BXgr8MfCtwJuBnyvLx/lf+KRSPwi8BHgM8Kdjdd5Ybv91/BTCrcCfnaQNHwN+tPz5xeVxH1OWT42IPBd4Ld7YeDr+Wv4c2DFW70rgI8DDgJ8Anlae669F5GkbOadxfmDZHA3DME4jIvIQfNrj4URF7xORDHiliLxaVW8Z2uUOVf2eof0vAV4jIpep6r0icj0+edFLVfXXymrvF5EZ4EWT2qGqSyLymfLjZ1X1w5u4FodPbPVeVf2BofLDwF+MVb8BPy39BFU9Wpa9tzQcfgn4242e3zi3mAfBMAzj9PK15fu4F6D3+Qlj5e8e+/zJ8v2q8v3R+IH3r8bq/X+bbeAGuKJ8/eVY+V8D2VjZU/DXsigiae8FvBd4mIhsO+OtNU4r5kEwDMM4vews3+8bKz8wtr3HsbHP7fK9Xr5fWr4fGqt3cFOt2xi9c4+cS1UzETk6VncP8H3lK8YuYOn0Ns84k5iBYBiGcXrpDfj7gOFVBfvGtk9Lz9DYA9w+VL53400boQ1Ux8p2TTj3yLlKz8B43aPAB4EbJ5zv3k200TiH2BSDYRjG6eUD5ft3jZV/b/n+Lxs83n8ACjxrrHz8c4yeN6IR2XYn8JCxsm8Z+3wPcDfwP8bKn0n4gPke4KHAp1X1o5FXG2NLYR4EwzCMzfMUETkwVraIV/nfUD5pfwi/euB/A3+uqp9kA6jq50TkrXiBowNuBr4eeGpZpVhn98/jtQI/KCLH8AbDraq6jBcZvkxEfgH4MPB4vLhy+NyFiPwi8H9F5E3lPtfiV2iMTxe8HG/MfEBEXgfcgV/p8BDg/qr6gxu5buPcYwaCYRjG5vk/kbJPA48AvoRfmvgyvHv9RuAXN3me5wHLwM/ipwX+Cb+E8V14gySKqh4VkR/DL7H8VyABnoj3YrwK2A78GH7AfzfwbPxSxeFj/KGIzAE/iTcgPlW+/+lYvbtE5FH41Qy/ClyCn3b4FPHlncZ5jqjquW6DYRiGsUFE5KeBXwOuVtW7znV7jAsP8yAYhmGc54jIt+Jd9R/HTyk8Hvhp4C/NODDOFGYgGIZhnP8s46MYvhSYBfYDv4NPxGQYZwSbYjAMwzAMI8CWORqGYRiGEWAGgmEYhmEYAWYgGIZhGIYRYAaCYRiGYRgBZiAYhmEYhhFgBoJhGIZhGAH/P6yV3TPxe4qtAAAAAElFTkSuQmCC\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"# Compute and display the image describing benzene's crystal packing\\n\",\n \"sph_ben = ben.get_spherical_images()\\n\",\n \"sph_ben.align()\\n\",\n \"sph_ben.plot_sph_images()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 3,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"image/png\": 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\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"# One can rotate the image and using different lmax as well\\n\",\n \"sph_ben.rotate(0, 0, -40)\\n\",\n \"sph_ben.plot_sph_images(lmax=10)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 4,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"Number of neighboring molecules 30\\n\",\n \"[-2.041 -2.041 -2.041 -2.041 -1.325 -1.325 -1.325 -1.325 -1.127 -1.127\\n\",\n \" -1.127 -1.127 -0.363 -0.363 -0.224 -0.224 -0.075 -0.075 -0.075 -0.075\\n\",\n \" -0.067 -0.067 -0.067 -0.067 -0.067 -0.067 -0.061 -0.061 -0.061 -0.061]\\n\"\n ]\n },\n {\n \"name\": \"stderr\",\n \"output_type\": \"stream\",\n \"text\": [\n \"==============================\\n\",\n \"*** Open Babel Error in LoadAllPlugins\\n\",\n \" Unable to find OpenBabel plugins. Try setting the BABEL_LIBDIR environment variable.\\n\"\n ]\n },\n {\n \"data\": {\n \"application/3dmoljs_load.v0\": \"
\\n

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n jupyter labextension install jupyterlab_3dmol

\\n
\\n\",\n \"text/html\": [\n \"
\\n\",\n \"

You appear to be running in JupyterLab (or JavaScript failed to load for some other reason). You need to install the 3dmol extension:
\\n\",\n \" jupyter labextension install jupyterlab_3dmol

\\n\",\n \"
\\n\",\n \"\"\n ]\n },\n \"metadata\": {},\n \"output_type\": \"display_data\"\n },\n {\n \"data\": {\n \"text/plain\": [\n \"\"\n ]\n },\n \"execution_count\": 4,\n \"metadata\": {},\n \"output_type\": \"execute_result\"\n }\n ],\n \"source\": [\n \"# view the molecular packing at the real space\\n\",\n \"sph_ben.plot_real_image(0)\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 5,\n \"metadata\": {},\n \"outputs\": [\n {\n \"data\": {\n \"image/png\": 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\\n\",\n \"text/plain\": [\n \"
\"\n ]\n },\n \"metadata\": {\n \"needs_background\": \"light\"\n },\n \"output_type\": \"display_data\"\n }\n ],\n \"source\": [\n \"# Compute and display the image describing naphthalene and anthracene\\n\",\n \"sph_naph = naph.get_spherical_images()\\n\",\n \"sph_naph.align()\\n\",\n \"sph_naph.plot_sph_images()\\n\",\n \"\\n\",\n \"sph_anth = anth.get_spherical_images()\\n\",\n \"sph_anth.align()\\n\",\n \"sph_anth.plot_sph_images()\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": 6,\n \"metadata\": {},\n \"outputs\": [\n {\n \"name\": \"stdout\",\n \"output_type\": \"stream\",\n \"text\": [\n \"Similarity between benzen and naphta 0.7145885464284113\\n\",\n \"Similarity between antcen and naphta 0.9742268926829936\\n\"\n ]\n }\n ],\n \"source\": [\n \"# One can clearly see the strong similarity between naph and anth\\n\",\n \"# To further comfirm it, one can simply compute the similarity as defined in\\n\",\n \"# https://arxiv.org/abs/2207.12548\\n\",\n \"\\n\",\n \"s1 = sph_naph.get_similarity(sph_ben)\\n\",\n \"s2 = sph_naph.get_similarity(sph_anth)\\n\",\n \"print(\\\"Similarity between benzen and naphta\\\", s1[0,0])\\n\",\n \"print(\\\"Similarity between antcen and naphta\\\", s2[0,0])\"\n ]\n },\n {\n \"cell_type\": \"code\",\n \"execution_count\": null,\n \"metadata\": {},\n \"outputs\": [],\n \"source\": []\n }\n ],\n \"metadata\": {\n \"@webio\": {\n \"lastCommId\": null,\n \"lastKernelId\": null\n },\n \"kernelspec\": {\n \"display_name\": \"Python 3 (ipykernel)\",\n \"language\": \"python\",\n \"name\": \"python3\"\n },\n \"language_info\": {\n \"codemirror_mode\": {\n \"name\": \"ipython\",\n \"version\": 3\n },\n \"file_extension\": \".py\",\n \"mimetype\": \"text/x-python\",\n \"name\": \"python\",\n \"nbconvert_exporter\": \"python\",\n \"pygments_lexer\": \"ipython3\",\n \"version\": \"3.7.12\"\n }\n },\n \"nbformat\": 4,\n \"nbformat_minor\": 4\n}\n" }, { "path": "examples/tutorials_notebook/ABAVUW.cif", "content": "####################################################################### \r\n# \r\n# This file contains crystal structure data downloaded from the \r\n# Cambridge Structural Database (CSD) hosted by the Cambridge \r\n# Crystallographic Data Centre (CCDC).\r\n# \r\n# Full information about CCDC data access policies and citation \r\n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \r\n# \r\n# Audit and citation data items may have been added by the CCDC. \r\n# Please retain this information to preserve the provenance of \r\n# this file and to allow appropriate attribution of the data. \r\n# \r\n#######################################################################\r\n\r\ndata_pt7023\r\n_audit_block_doi 10.5517/ccxkff9\r\n_database_code_depnum_ccdc_archive 'CCDC 850901'\r\nloop_\r\n_citation_id\r\n_citation_doi\r\n_citation_year\r\n1 10.1021/ic200154y 2011\r\n_audit_update_record \r\n;\r\n2011-10-27 deposited with the CCDC.\t2021-06-17 downloaded from the CCDC.\r\n;\r\n\r\n_audit_creation_method SHELXL-97\r\n_chemical_name_systematic ?\r\n_chemical_name_common ?\r\n_chemical_melting_point ?\r\n_chemical_formula_moiety 'C12 H17 N O3'\r\n_chemical_formula_sum 'C12 H17 N O3'\r\n_chemical_formula_weight 223.27\r\n\r\nloop_\r\n_atom_type_symbol\r\n_atom_type_description\r\n_atom_type_scat_dispersion_real\r\n_atom_type_scat_dispersion_imag\r\n_atom_type_scat_source\r\nC C 0.0033 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nH H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nN N 0.0061 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nO O 0.0106 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\n\r\n_symmetry_cell_setting orthorhombic\r\n_symmetry_space_group_name_H-M 'P 21 21 21'\r\n_symmetry_int_tables_number 19\r\n_symmetry_space_group_name_Hall 'P 2ac 2ab'\r\n\r\nloop_\r\n_symmetry_equiv_pos_as_xyz\r\n'x, y, z'\r\n'-x+1/2, -y, z+1/2'\r\n'-x, y+1/2, -z+1/2'\r\n'x+1/2, -y+1/2, -z'\r\n\r\n_cell_length_a 9.6192(4)\r\n_cell_length_b 10.6124(4)\r\n_cell_length_c 11.8069(5)\r\n_cell_angle_alpha 90.00\r\n_cell_angle_beta 90.00\r\n_cell_angle_gamma 90.00\r\n_cell_volume 1205.28(8)\r\n_cell_formula_units_Z 4\r\n_cell_measurement_temperature 150(2)\r\n_cell_measurement_reflns_used 4774\r\n_cell_measurement_theta_min 2.5805\r\n_cell_measurement_theta_max 29.7525\r\n_exptl_crystal_description block\r\n_exptl_crystal_colour colourless\r\n_exptl_crystal_size_max 0.67\r\n_exptl_crystal_size_mid 0.51\r\n_exptl_crystal_size_min 0.23\r\n_exptl_crystal_density_meas ?\r\n_exptl_crystal_density_diffrn 1.230\r\n_exptl_crystal_density_method 'not measured'\r\n_exptl_crystal_F_000 480\r\n_exptl_absorpt_coefficient_mu 0.088\r\n_exptl_absorpt_correction_type multi-scan\r\n_exptl_absorpt_correction_T_min 0.8478\r\n_exptl_absorpt_correction_T_max 0.9772\r\n_exptl_absorpt_process_details 'SADABS 2007/2'\r\n_exptl_special_details \r\n;\r\n?\r\n;\r\n\r\n_diffrn_ambient_temperature 150(2)\r\n_diffrn_radiation_probe ?\r\n_diffrn_radiation_type MoK\\a\r\n_diffrn_radiation_wavelength 0.71073\r\n_diffrn_source 'fine-focus sealed tube'\r\n_diffrn_radiation_monochromator graphite\r\n_diffrn_measurement_device_type 'Bruker Smart Apex CCD'\r\n_diffrn_measurement_method 'Omega scans'\r\n_diffrn_detector_area_resol_mean ?\r\n_diffrn_standards_number ?\r\n_diffrn_standards_interval_count ?\r\n_diffrn_standards_interval_time ?\r\n_diffrn_standards_decay_% ?\r\n_diffrn_reflns_number 11342\r\n_diffrn_reflns_av_R_equivalents 0.0374\r\n_diffrn_reflns_av_sigmaI/netI 0.0298\r\n_diffrn_reflns_limit_h_min -10\r\n_diffrn_reflns_limit_h_max 13\r\n_diffrn_reflns_limit_k_min -14\r\n_diffrn_reflns_limit_k_max 14\r\n_diffrn_reflns_limit_l_min -16\r\n_diffrn_reflns_limit_l_max 15\r\n_diffrn_reflns_theta_min 2.58\r\n_diffrn_reflns_theta_max 30.05\r\n_reflns_number_total 1973\r\n_reflns_number_gt 1757\r\n_reflns_threshold_expression >2sigma(I)\r\n\r\n_computing_data_collection ?\r\n_computing_cell_refinement Saint\r\n_computing_data_reduction Saint\r\n_computing_structure_solution 'Shelxs Sheldrick'\r\n_computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)'\r\n_computing_molecular_graphics Shelxp\r\n\r\n_computing_publication_material 'Platon, encifer'\r\n_refine_special_details \r\n;\r\nRefinement of F^2^ against ALL reflections. The weighted R-factor wR and\r\ngoodness of fit S are based on F^2^, conventional R-factors R are based\r\non F, with F set to zero for negative F^2^. The threshold expression of\r\nF^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is\r\nnot relevant to the choice of reflections for refinement. R-factors based\r\non F^2^ are statistically about twice as large as those based on F, and R-\r\nfactors based on ALL data will be even larger.\r\n\r\n>>> The Following ALERTS were generated <<<\r\n#------------------------------------------\r\nFormat: alert-number_ALERT_alert-type_alert-level text\r\n\r\n032_ALERT_4_C Std. Uncertainty in Flack Parameter too High ... 10.00\r\n033_ALERT_2_C Flack Parameter Value Deviates 2 * su from zero. 10.00\r\n914_ALERT_3_C No Bijvoet Pairs in FCF for Non-centro Structure !\r\n\r\nFriedels were merged. Anomolous scattering power not significant enough for\r\nhand determination.\r\n\r\n\r\n063_ALERT_3_C Crystal Probably too Large for Beam Size ....... 0.67 mm\r\n\r\nGorbitz has shown that use of a large crystal does not appear to matter.\r\nSee C. H. Gorbitz Acta Cryst. (1999). B55, 1090-1098\r\n\r\n\r\n912_ALERT_3_C # Missing FCF Reflections Above STh/L= 0.600 47\r\n\r\nThe data collection strategy used was to collect fully complete data to\r\n2TH= 53deg. Some higher angle data were collected in the process and these\r\nhave been included in the refinement. Please refer to the completeness\r\nstatistics below\r\n\r\n#==============================================================================\r\nResolution & Completeness Statistics (Cumulative and Friedel Pairs Averaged)\r\n#==============================================================================\r\nTheta sin(th)/Lambda Complete Expected Measured Missing\r\n#------------------------------------------------------------------------------\r\n20.82 0.500 1.000 760 760 0\r\n23.01 0.550 1.000 994 994 0\r\n25.24 0.600 1.000 1272 1272 0\r\n#----------------------------------------------------------- ACTA Min. Res. ---\r\n27.51 0.650 1.000 1600 1600 0\r\n29.84 0.700 0.980 1984 1945 39\r\n30.05 0.705 0.977 2020 1973 47\r\n\r\n#==============================================================================\r\n\r\n\r\n;\r\n\r\n_refine_ls_structure_factor_coef Fsqd\r\n_refine_ls_matrix_type full\r\n_refine_ls_weighting_scheme calc\r\n_refine_ls_weighting_details \r\n'calc w=1/[\\s^2^(Fo^2^)+(0.0680P)^2^+0.0340P] where P=(Fo^2^+2Fc^2^)/3'\r\n_atom_sites_solution_primary direct\r\n_atom_sites_solution_secondary difmap\r\n_atom_sites_solution_hydrogens geom\r\n_refine_ls_hydrogen_treatment mixed\r\n_refine_ls_extinction_method none\r\n_refine_ls_extinction_coef ?\r\n_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'\r\n_refine_ls_abs_structure_Flack 10(10)\r\n_refine_ls_number_reflns 1973\r\n_refine_ls_number_parameters 155\r\n_refine_ls_number_restraints 0\r\n_refine_ls_R_factor_all 0.0456\r\n_refine_ls_R_factor_gt 0.0399\r\n_refine_ls_wR_factor_ref 0.1074\r\n_refine_ls_wR_factor_gt 0.1044\r\n_refine_ls_goodness_of_fit_ref 1.137\r\n_refine_ls_restrained_S_all 1.137\r\n_refine_ls_shift/su_max 0.011\r\n_refine_ls_shift/su_mean 0.002\r\n\r\nloop_\r\n_atom_site_label\r\n_atom_site_type_symbol\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_U_iso_or_equiv\r\n_atom_site_adp_type\r\n_atom_site_occupancy\r\n_atom_site_symmetry_multiplicity\r\n_atom_site_calc_flag\r\n_atom_site_refinement_flags\r\n_atom_site_disorder_assembly\r\n_atom_site_disorder_group\r\nO1 O 0.02305(13) 0.31584(11) 0.67530(9) 0.0275(3) Uani 1 1 d . . .\r\nH1 H -0.007(2) 0.243(2) 0.6911(18) 0.041 Uiso 1 1 d . . .\r\nC1 C -0.01938(16) 0.34447(14) 0.56842(12) 0.0223(3) Uani 1 1 d . . .\r\nC2 C -0.10071(16) 0.26454(14) 0.50224(13) 0.0220(3) Uani 1 1 d . . .\r\nC3 C -0.13987(16) 0.30215(13) 0.39243(12) 0.0229(3) Uani 1 1 d . . .\r\nH3 H -0.1969 0.2480 0.3483 0.027 Uiso 1 1 calc R . .\r\nC4 C -0.09701(16) 0.41649(13) 0.34714(12) 0.0221(3) Uani 1 1 d . . .\r\nC5 C -0.01507(16) 0.49522(13) 0.41541(12) 0.0244(3) Uani 1 1 d . . .\r\nH5 H 0.0162 0.5736 0.3860 0.029 Uiso 1 1 calc R . .\r\nC6 C 0.02102(16) 0.46118(14) 0.52434(12) 0.0235(3) Uani 1 1 d . . .\r\nC21 C -0.14484(16) 0.14133(14) 0.54297(12) 0.0237(3) Uani 1 1 d . . .\r\nH21 H -0.2030 0.0903 0.4968 0.028 Uiso 1 1 calc R . .\r\nN2 N -0.10622(16) 0.10092(12) 0.64029(11) 0.0284(3) Uani 1 1 d . . .\r\nO2 O -0.15597(15) -0.02084(12) 0.66155(11) 0.0374(3) Uani 1 1 d . . .\r\nH2 H -0.119(3) -0.040(2) 0.724(2) 0.056 Uiso 1 1 d . . .\r\nC41 C -0.12686(17) 0.45268(14) 0.22420(13) 0.0249(3) Uani 1 1 d . . .\r\nC42 C -0.1595(2) 0.59364(16) 0.21289(17) 0.0419(5) Uani 1 1 d . . .\r\nH42A H -0.2371 0.6154 0.2630 0.063 Uiso 1 1 calc R . .\r\nH42B H -0.1849 0.6126 0.1343 0.063 Uiso 1 1 calc R . .\r\nH42C H -0.0774 0.6429 0.2341 0.063 Uiso 1 1 calc R . .\r\nC43 C -0.2499(2) 0.37962(18) 0.17513(14) 0.0355(4) Uani 1 1 d . . .\r\nH43A H -0.2302 0.2891 0.1783 0.053 Uiso 1 1 calc R . .\r\nH43B H -0.2646 0.4049 0.0962 0.053 Uiso 1 1 calc R . .\r\nH43C H -0.3336 0.3980 0.2194 0.053 Uiso 1 1 calc R . .\r\nC44 C 0.0033(2) 0.4228(2) 0.15422(14) 0.0383(4) Uani 1 1 d . . .\r\nH44A H 0.0827 0.4695 0.1848 0.057 Uiso 1 1 calc R . .\r\nH44B H -0.0121 0.4476 0.0753 0.057 Uiso 1 1 calc R . .\r\nH44C H 0.0225 0.3322 0.1578 0.057 Uiso 1 1 calc R . .\r\nO61 O 0.09934(13) 0.53240(10) 0.59763(9) 0.0292(3) Uani 1 1 d . . .\r\nC62 C 0.1328(2) 0.65659(15) 0.56440(15) 0.0338(4) Uani 1 1 d . . .\r\nH62A H 0.1923 0.6541 0.4971 0.051 Uiso 1 1 calc R . .\r\nH62B H 0.1820 0.6991 0.6262 0.051 Uiso 1 1 calc R . .\r\nH62C H 0.0471 0.7027 0.5469 0.051 Uiso 1 1 calc R . .\r\n\r\nloop_\r\n_atom_site_aniso_label\r\n_atom_site_aniso_U_11\r\n_atom_site_aniso_U_22\r\n_atom_site_aniso_U_33\r\n_atom_site_aniso_U_23\r\n_atom_site_aniso_U_13\r\n_atom_site_aniso_U_12\r\nO1 0.0344(6) 0.0287(5) 0.0192(5) 0.0003(4) -0.0062(5) -0.0018(5)\r\nC1 0.0225(7) 0.0269(6) 0.0174(6) -0.0011(5) -0.0002(6) 0.0025(5)\r\nC2 0.0229(7) 0.0239(6) 0.0192(6) -0.0013(5) -0.0006(5) 0.0017(6)\r\nC3 0.0246(7) 0.0245(6) 0.0195(6) -0.0010(5) -0.0037(6) -0.0001(6)\r\nC4 0.0237(7) 0.0242(6) 0.0184(6) 0.0005(5) -0.0006(6) 0.0021(6)\r\nC5 0.0266(7) 0.0240(6) 0.0227(7) -0.0005(5) -0.0005(6) -0.0009(6)\r\nC6 0.0233(7) 0.0255(6) 0.0218(6) -0.0047(6) -0.0020(6) -0.0007(6)\r\nC21 0.0250(7) 0.0250(6) 0.0213(6) -0.0001(5) -0.0028(6) 0.0003(6)\r\nN2 0.0347(7) 0.0257(6) 0.0248(6) 0.0037(5) -0.0055(6) -0.0041(6)\r\nO2 0.0504(8) 0.0309(6) 0.0309(6) 0.0116(5) -0.0137(6) -0.0108(6)\r\nC41 0.0298(8) 0.0238(6) 0.0210(6) 0.0030(5) -0.0038(6) 0.0008(6)\r\nC42 0.0581(12) 0.0287(8) 0.0389(9) 0.0028(7) -0.0170(9) 0.0070(8)\r\nC43 0.0398(9) 0.0432(9) 0.0236(7) 0.0082(7) -0.0109(7) -0.0103(8)\r\nC44 0.0401(10) 0.0505(10) 0.0244(8) 0.0093(7) 0.0059(8) 0.0022(8)\r\nO61 0.0368(6) 0.0284(5) 0.0224(5) -0.0038(4) -0.0063(5) -0.0060(5)\r\nC62 0.0403(10) 0.0301(7) 0.0310(8) -0.0052(6) -0.0068(7) -0.0063(7)\r\n\r\n_geom_special_details \r\n;\r\nAll esds (except the esd in the dihedral angle between two l.s. planes)\r\nare estimated using the full covariance matrix. The cell esds are taken\r\ninto account individually in the estimation of esds in distances, angles\r\nand torsion angles; correlations between esds in cell parameters are only\r\nused when they are defined by crystal symmetry. An approximate (isotropic)\r\ntreatment of cell esds is used for estimating esds involving l.s. planes.\r\n;\r\n\r\nloop_\r\n_geom_bond_atom_site_label_1\r\n_geom_bond_atom_site_label_2\r\n_geom_bond_distance\r\n_geom_bond_site_symmetry_2\r\n_geom_bond_publ_flag\r\nO1 C1 1.3607(18) . ?\r\nO1 H1 0.84(2) . ?\r\nC1 C2 1.394(2) . ?\r\nC1 C6 1.399(2) . ?\r\nC2 C3 1.408(2) . ?\r\nC2 C21 1.456(2) . ?\r\nC3 C4 1.389(2) . ?\r\nC3 H3 0.9500 . ?\r\nC4 C5 1.403(2) . ?\r\nC4 C41 1.529(2) . ?\r\nC5 C6 1.380(2) . ?\r\nC5 H5 0.9500 . ?\r\nC6 O61 1.3739(18) . ?\r\nC21 N2 1.2814(19) . ?\r\nC21 H21 0.9500 . ?\r\nN2 O2 1.4006(17) . ?\r\nO2 H2 0.84(3) . ?\r\nC41 C43 1.529(2) . ?\r\nC41 C44 1.533(2) . ?\r\nC41 C42 1.534(2) . ?\r\nC42 H42A 0.9800 . ?\r\nC42 H42B 0.9800 . ?\r\nC42 H42C 0.9800 . ?\r\nC43 H43A 0.9800 . ?\r\nC43 H43B 0.9800 . ?\r\nC43 H43C 0.9800 . ?\r\nC44 H44A 0.9800 . ?\r\nC44 H44B 0.9800 . ?\r\nC44 H44C 0.9800 . ?\r\nO61 C62 1.4122(19) . ?\r\nC62 H62A 0.9800 . ?\r\nC62 H62B 0.9800 . ?\r\nC62 H62C 0.9800 . ?\r\n\r\nloop_\r\n_geom_angle_atom_site_label_1\r\n_geom_angle_atom_site_label_2\r\n_geom_angle_atom_site_label_3\r\n_geom_angle\r\n_geom_angle_site_symmetry_1\r\n_geom_angle_site_symmetry_3\r\n_geom_angle_publ_flag\r\nC1 O1 H1 107.9(15) . . ?\r\nO1 C1 C2 123.53(14) . . ?\r\nO1 C1 C6 117.36(13) . . ?\r\nC2 C1 C6 119.11(14) . . ?\r\nC1 C2 C3 119.60(14) . . ?\r\nC1 C2 C21 121.67(14) . . ?\r\nC3 C2 C21 118.72(13) . . ?\r\nC4 C3 C2 121.53(14) . . ?\r\nC4 C3 H3 119.2 . . ?\r\nC2 C3 H3 119.2 . . ?\r\nC3 C4 C5 117.76(13) . . ?\r\nC3 C4 C41 121.97(13) . . ?\r\nC5 C4 C41 120.09(13) . . ?\r\nC6 C5 C4 121.38(14) . . ?\r\nC6 C5 H5 119.3 . . ?\r\nC4 C5 H5 119.3 . . ?\r\nO61 C6 C5 125.51(14) . . ?\r\nO61 C6 C1 113.90(13) . . ?\r\nC5 C6 C1 120.57(14) . . ?\r\nN2 C21 C2 120.80(14) . . ?\r\nN2 C21 H21 119.6 . . ?\r\nC2 C21 H21 119.6 . . ?\r\nC21 N2 O2 111.74(13) . . ?\r\nN2 O2 H2 103.2(17) . . ?\r\nC43 C41 C4 112.20(13) . . ?\r\nC43 C41 C44 108.84(14) . . ?\r\nC4 C41 C44 107.83(13) . . ?\r\nC43 C41 C42 107.66(15) . . ?\r\nC4 C41 C42 111.47(13) . . ?\r\nC44 C41 C42 108.77(15) . . ?\r\nC41 C42 H42A 109.5 . . ?\r\nC41 C42 H42B 109.5 . . ?\r\nH42A C42 H42B 109.5 . . ?\r\nC41 C42 H42C 109.5 . . ?\r\nH42A C42 H42C 109.5 . . ?\r\nH42B C42 H42C 109.5 . . ?\r\nC41 C43 H43A 109.5 . . ?\r\nC41 C43 H43B 109.5 . . ?\r\nH43A C43 H43B 109.5 . . ?\r\nC41 C43 H43C 109.5 . . ?\r\nH43A C43 H43C 109.5 . . ?\r\nH43B C43 H43C 109.5 . . ?\r\nC41 C44 H44A 109.5 . . ?\r\nC41 C44 H44B 109.5 . . ?\r\nH44A C44 H44B 109.5 . . ?\r\nC41 C44 H44C 109.5 . . ?\r\nH44A C44 H44C 109.5 . . ?\r\nH44B C44 H44C 109.5 . . ?\r\nC6 O61 C62 117.60(13) . . ?\r\nO61 C62 H62A 109.5 . . ?\r\nO61 C62 H62B 109.5 . . ?\r\nH62A C62 H62B 109.5 . . ?\r\nO61 C62 H62C 109.5 . . ?\r\nH62A C62 H62C 109.5 . . ?\r\nH62B C62 H62C 109.5 . . ?\r\n\r\n_diffrn_measured_fraction_theta_max 0.977\r\n_diffrn_reflns_theta_full 27.51\r\n_diffrn_measured_fraction_theta_full 1.000\r\n_refine_diff_density_max 0.330\r\n_refine_diff_density_min -0.223\r\n_refine_diff_density_rms 0.052\r\n_chemical_compound_source 'Ross Forgan'\r\n_exptl_crystal_recrystallization_method 'Evaporation of acetone solution'\r\n" }, { "path": "examples/tutorials_notebook/aspirin.cif", "content": "####################################################################### \n# \n# This file contains crystal structure data downloaded from the \n# Cambridge Structural Database (CSD) hosted by the Cambridge \n# Crystallographic Data Centre (CCDC).\n# \n# Full information about CCDC data access policies and citation \n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \n# \n# Audit and citation data items may have been added by the CCDC. \n# Please retain this information to preserve the provenance of \n# this file and to allow appropriate attribution of the data. \n# \n#######################################################################\n\ndata_asp100\n_audit_block_doi 10.5517/cc66zzb\n_database_code_depnum_ccdc_archive 'CCDC 185472'\nloop_\n_citation_id\n_citation_doi\n_citation_year\n1 10.1039/b203379h 2003\n_audit_update_record \n;\n2002-05-09 deposited with the CCDC. 2020-02-22 downloaded from the CCDC.\n;\n\n_audit_creation_method SHELXL-97\n_chemical_name_systematic \n;\n2-(acetoyloxy)benzoic acid\n;\n_chemical_name_common Aspirin\n_chemical_formula_sum 'C9 H8 O4'\n_chemical_formula_weight 180.16\n\nloop_\n_atom_type_symbol\n_atom_type_description\n_atom_type_scat_length_neutron\n_atom_type_scat_source\nC C 6.646 'International Tables Vol C Table 4.4.4.1'\nH H -3.739 'International Tables Vol C Table 4.4.4.1'\nO O 5.803 'International Tables Vol C Table 4.4.4.1'\n\n_symmetry_cell_setting Monoclinic\n_symmetry_space_group_name_H-M P21/c\n\nloop_\n_symmetry_equiv_pos_as_xyz\n'x, y, z'\n'-x, y+1/2, -z+1/2'\n'-x, -y, -z'\n'x, -y-1/2, z-1/2'\n\n_cell_length_a 11.233(3)\n_cell_length_b 6.5440(10)\n_cell_length_c 11.231(3)\n_cell_angle_alpha 90.00\n_cell_angle_beta 95.89(2)\n_cell_angle_gamma 90.00\n_cell_volume 821.2(3)\n_cell_formula_units_Z 4\n\n_cell_measurement_temperature 100(1)\n_cell_measurement_reflns_used 25\n_cell_measurement_theta_min ?\n\n_exptl_crystal_description 'irregular prism'\n_exptl_crystal_colour colourless\n_exptl_crystal_size_max 8\n_exptl_crystal_size_mid 4\n_exptl_crystal_size_min 1.5\n_exptl_crystal_density_meas ?\n_exptl_crystal_density_diffrn 1.456\n_exptl_crystal_density_method 'not measured'\n_exptl_crystal_F_000 21\n_exptl_absorpt_coefficient_mu '1.0550, at 1 Angstrom'\n_exptl_absorpt_correction_type empirical\n_exptl_absorpt_correction_T_min 0.45\n_exptl_absorpt_correction_T_max 0.75\n_exptl_absorpt_process_details \n;\nThe linear absorption coefficient is wavelength dependent\nand it is calculated as:\nmu = 0.80 + 0.75 * lambda [cm^-1]\n;\n\n_exptl_special_details \n;\nFor peak integration a local UB matrix refined for each frame,\nusing approximately 25 reflections.\nHence _cell_measurement_reflns_used 25\n\nFor final cell dimensions an average of all local\ncells was performed and estimated standard uncertainties\nwere obtained from the spread of the local observations\n\nBecause of the nature of the experiment, it is not possible to give values of\ntheta_min and theta_max for the cell determination.\n\nInstead, we can give values of\n\n#_cell_measurement_sin(theta)/lambda_min 0.20\n#_cell_measurement_sin(theta)/lambda_max 0.75\n\nThe same applies for the wavelength used for the experiment.\nThe range of wavelengths used was 0.5-5.0 Angstroms,\nBUT the bulk of the diffraction information is obtained from\nwavelengths in the range 0.7-2.5 Angstroms.\n\nThe data collection procedures on the SXD instrument used\nfor the single crystal neutron data collection are most\nrecently summarised in the Appendix to the following paper\nWilson, C.C. (1997). J. Mol. Struct. 405, 207-217.\n;\n\n_diffrn_ambient_temperature 100(2)\n_diffrn_radiation_wavelength 0.5-5.0\n_diffrn_radiation_type neutron\n_diffrn_radiation_source 'ISIS spallation source'\n_diffrn_measurement_device SXD\n_diffrn_measurement_method 'time-of-flight LAUE diffraction'\n_diffrn_reflns_number 3971\n_diffrn_reflns_av_R_equivalents 0.068\n_diffrn_reflns_av_sigmaI/netI 0.0414\n_diffrn_reflns_limit_h_min 0\n_diffrn_reflns_limit_h_max 24\n_diffrn_reflns_limit_k_min 0\n_diffrn_reflns_limit_k_max 14\n_diffrn_reflns_limit_l_min -16\n_diffrn_reflns_limit_l_max 18\n_diffrn_reflns_theta_min ?\n_diffrn_reflns_theta_max ?\n_reflns_number_total 1151\n_reflns_number_gt 1151\n_reflns_threshold_expression >2sigma(I)\n\n_computing_data_collection ?\n_computing_cell_refinement ?\n_computing_data_reduction ?\n_computing_structure_solution ?\n_computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)'\n_computing_molecular_graphics 'ORTEP (Johnson, 1994)'\n_computing_publication_material ?\n\n_refine_special_details \n;\nThese data are by no means complete.\nThey were collected in a very restricted geometry due\nto the microwave apparatus also installed at the time.\nThe data/parameter ratio is also rather small, however\nthe refinements are stable and supportive of the\nobservations presented in the paper.\n\nThe microwave source was switched OFF for these data.\n\nThe variable wavelength nature of the data collection\nprocedure means that sensible values of\n#_diffrn_reflns_theta_min & _diffrn_reflns_theta_max\ncannot be given\n\nIt is also difficult to estimate realistic values of\nmaximum sin(theta)/lambda values for two reasons:\n(i) Different sin(theta)/lambda ranges are accessed\nin different parts of the detectors\n(ii) The nature of the data collection occasionally\nallows some reflections at very high sin(theta)/lambda\nto be observed even when no real attempt has been\nmade to measure data in this region.\n\nHowever, we can attempt to estimate the sin(theta)/lambda limits as follows:\n\n#_diffrn_reflns_sin(theta)/lambda_min 0.05\n#_diffrn_reflns_sin(theta)/lambda_max 0.75\n\nNote also that reflections for which the standard profile fitting integration\nprocedure fails are excluded from the data set, thus resulting in a high\nelimination rate of weak or \"unobserved\" peaks from the final data set.\n\nThe extinction coefficient reported in _refine_ls_extinction_coef is in this\ncase the refined value of the mosaic spread in units of 10^-4 rad^-1\nThe reference for the extinction method used is:\nBecker, P. & Coppens, P. (1974). Acta Cryst. A30, 129-148.\n\nRefinement of F^2^ against ALL reflections. The weighted R-factor wR and\ngoodness of fit S are based on F^2^, conventional R-factors R are based\non F, with F set to zero for negative F^2^. The threshold expression of\nF^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is\nnot relevant to the choice of reflections for refinement. R-factors based\non F^2^ are statistically about twice as large as those based on F, and R-\nfactors based on ALL data will be even larger.\n;\n\n_refine_ls_structure_factor_coef Fsqd\n_refine_ls_matrix_type full\n_refine_ls_weighting_scheme calc\n_refine_ls_weighting_details \n'calc w=1/[\\s^2^(Fo^2^)+(0.0763P)^2^+0.3996P] where P=(Fo^2^+2Fc^2^)/3'\n_refine_ls_hydrogen_treatment refall\n_refine_ls_extinction_method 'Becker-Coppens Lorentzian model'\n_refine_ls_extinction_coef 0.06\n_refine_ls_number_reflns 1151\n_refine_ls_number_parameters 190\n_refine_ls_number_restraints 0\n_refine_ls_R_factor_all 0.0958\n_refine_ls_R_factor_gt 0.0958\n_refine_ls_wR_factor_ref 0.2369\n_refine_ls_wR_factor_gt 0.2369\n_refine_ls_goodness_of_fit_ref 1.468\n_refine_ls_restrained_S_all 1.468\n_refine_ls_shift/su_max 0.001\n_refine_ls_shift/su_mean 0.000\n\nloop_\n_atom_site_label\n_atom_site_type_symbol\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\n_atom_site_U_iso_or_equiv\n_atom_site_adp_type\n_atom_site_occupancy\n_atom_site_symmetry_multiplicity\n_atom_site_calc_flag\n_atom_site_refinement_flags\n_atom_site_disorder_assembly\n_atom_site_disorder_group\nC1 C 0.1537(4) 0.5603(6) 0.0665(6) 0.0115(9) Uani 1 1 d . . .\nC2 C 0.2473(4) 0.4838(6) 0.0088(5) 0.0118(10) Uani 1 1 d . . .\nC3 C 0.2998(4) 0.2977(7) 0.0414(7) 0.0174(12) Uani 1 1 d . . .\nC4 C 0.2609(4) 0.1876(7) 0.1352(7) 0.0199(12) Uani 1 1 d . . .\nC5 C 0.1686(4) 0.2620(7) 0.1942(7) 0.0174(12) Uani 1 1 d . . .\nC6 C 0.1158(4) 0.4463(7) 0.1614(6) 0.0158(11) Uani 1 1 d . . .\nC7 C 0.0903(4) 0.7562(7) 0.0372(5) 0.0113(9) Uani 1 1 d . . .\nC8 C 0.3674(4) 0.7373(7) -0.0623(6) 0.0137(10) Uani 1 1 d . . .\nC9 C 0.3993(5) 0.8399(9) -0.1740(7) 0.0214(12) Uani 1 1 d . . .\nO1 O 0.1235(5) 0.8590(10) -0.0527(9) 0.0201(15) Uani 1 1 d . . .\nO2 O 0.0098(6) 0.8130(9) 0.0966(8) 0.0205(13) Uani 1 1 d . . .\nO3 O 0.2886(5) 0.5827(8) -0.0890(7) 0.0136(11) Uani 1 1 d . . .\nO4 O 0.4029(6) 0.7815(11) 0.0367(8) 0.0248(16) Uani 1 1 d . . .\nH1 H 0.3698(11) 0.2377(19) -0.0095(17) 0.035(3) Uani 1 1 d . . .\nH2 H 0.3016(12) 0.0396(16) 0.1593(16) 0.033(3) Uani 1 1 d . . .\nH3 H 0.1406(11) 0.174(2) 0.2688(19) 0.040(4) Uani 1 1 d . . .\nH4 H 0.0433(10) 0.507(2) 0.2083(16) 0.031(3) Uani 1 1 d . . .\nH5 H 0.4618(18) 0.960(3) -0.145(3) 0.059(6) Uani 1 1 d . . .\nH6 H 0.3200(16) 0.897(5) -0.224(3) 0.088(12) Uani 1 1 d . . .\nH7 H 0.434(3) 0.735(4) -0.240(3) 0.072(7) Uani 1 1 d . . .\nH8 H 0.0713(10) 0.9855(18) -0.0642(15) 0.030(3) Uani 1 1 d . . .\n\nloop_\n_atom_site_aniso_label\n_atom_site_aniso_U_11\n_atom_site_aniso_U_22\n_atom_site_aniso_U_33\n_atom_site_aniso_U_23\n_atom_site_aniso_U_13\n_atom_site_aniso_U_12\nC1 0.0116(13) 0.0103(15) 0.013(3) 0.0003(14) 0.0039(19) 0.0000(11)\nC2 0.0125(14) 0.0133(17) 0.010(3) -0.0038(14) 0.0035(19) 0.0000(11)\nC3 0.0186(17) 0.0144(19) 0.020(4) -0.0003(18) 0.007(2) 0.0048(13)\nC4 0.0183(18) 0.0138(19) 0.028(4) 0.0034(19) 0.006(2) 0.0039(13)\nC5 0.0132(15) 0.0177(19) 0.022(4) 0.0047(19) 0.006(2) 0.0016(13)\nC6 0.0143(15) 0.0155(18) 0.018(3) 0.0037(17) 0.005(2) 0.0013(13)\nC7 0.0127(14) 0.0126(18) 0.009(3) 0.0005(15) 0.0044(17) 0.0025(11)\nC8 0.0103(13) 0.0199(19) 0.012(3) -0.0024(17) 0.0050(18) -0.0027(12)\nC9 0.023(2) 0.029(3) 0.013(4) 0.003(2) 0.006(3) -0.0061(17)\nO1 0.0166(19) 0.022(2) 0.023(5) 0.008(2) 0.006(3) 0.0058(16)\nO2 0.025(2) 0.018(2) 0.021(4) 0.006(2) 0.012(3) 0.0093(17)\nO3 0.0163(18) 0.014(2) 0.011(3) -0.0052(18) 0.002(2) -0.0008(14)\nO4 0.027(3) 0.032(3) 0.015(5) -0.007(3) 0.006(3) -0.013(2)\nH1 0.033(5) 0.031(6) 0.040(10) 0.001(5) 0.005(6) 0.010(4)\nH2 0.047(6) 0.018(4) 0.036(10) 0.009(4) 0.010(7) 0.011(4)\nH3 0.028(5) 0.041(6) 0.052(12) 0.030(7) 0.009(7) 0.007(4)\nH4 0.027(4) 0.039(6) 0.028(9) 0.006(5) 0.009(6) 0.004(4)\nH5 0.062(9) 0.054(10) 0.063(19) -0.002(9) 0.017(12) -0.026(7)\nH6 0.040(8) 0.115(18) 0.10(3) 0.081(19) -0.030(12) -0.016(9)\nH7 0.13(2) 0.072(14) 0.024(15) -0.007(9) 0.045(15) -0.004(12)\nH8 0.031(4) 0.030(5) 0.031(9) 0.009(5) 0.009(6) 0.009(4)\n\n_geom_special_details \n;\nAll esds (except the esd in the dihedral angle between two l.s. planes)\nare estimated using the full covariance matrix. The cell esds are taken\ninto account individually in the estimation of esds in distances, angles\nand torsion angles; correlations between esds in cell parameters are only\nused when they are defined by crystal symmetry. An approximate (isotropic)\ntreatment of cell esds is used for estimating esds involving l.s. planes.\n;\n\nloop_\n_geom_bond_atom_site_label_1\n_geom_bond_atom_site_label_2\n_geom_bond_distance\n_geom_bond_site_symmetry_2\n_geom_bond_publ_flag\nC1 C2 1.385(7) . ?\nC1 C6 1.402(9) . ?\nC1 C7 1.487(6) . ?\nC2 C3 1.386(6) . ?\nC2 O3 1.394(10) . ?\nC3 C4 1.384(10) . ?\nC3 H1 1.091(16) . ?\nC4 C5 1.376(9) . ?\nC4 H2 1.093(11) . ?\nC5 C6 1.377(7) . ?\nC5 H3 1.091(17) . ?\nC6 H4 1.089(16) . ?\nC7 O2 1.235(9) . ?\nC7 O1 1.299(10) . ?\nC8 O4 1.177(11) . ?\nC8 O3 1.358(7) . ?\nC8 C9 1.499(10) . ?\nC9 H5 1.083(18) . ?\nC9 H6 1.069(17) . ?\nC9 H7 1.11(3) . ?\nO1 H8 1.016(12) . ?\n\nloop_\n_geom_angle_atom_site_label_1\n_geom_angle_atom_site_label_2\n_geom_angle_atom_site_label_3\n_geom_angle\n_geom_angle_site_symmetry_1\n_geom_angle_site_symmetry_3\n_geom_angle_publ_flag\nC2 C1 C6 117.9(4) . . ?\nC2 C1 C7 125.3(5) . . ?\nC6 C1 C7 116.8(4) . . ?\nC1 C2 C3 121.1(5) . . ?\nC1 C2 O3 122.1(5) . . ?\nC3 C2 O3 116.7(5) . . ?\nC4 C3 C2 120.0(5) . . ?\nC4 C3 H1 120.8(9) . . ?\nC2 C3 H1 119.2(10) . . ?\nC5 C4 C3 119.7(5) . . ?\nC5 C4 H2 120.7(11) . . ?\nC3 C4 H2 119.6(10) . . ?\nC4 C5 C6 120.4(6) . . ?\nC4 C5 H3 118.2(9) . . ?\nC6 C5 H3 121.3(9) . . ?\nC5 C6 C1 120.9(5) . . ?\nC5 C6 H4 120.8(9) . . ?\nC1 C6 H4 118.3(8) . . ?\nO2 C7 O1 123.3(5) . . ?\nO2 C7 C1 120.0(5) . . ?\nO1 C7 C1 116.7(5) . . ?\nO4 C8 O3 122.8(7) . . ?\nO4 C8 C9 126.4(6) . . ?\nO3 C8 C9 110.8(6) . . ?\nC8 C9 H5 105.8(16) . . ?\nC8 C9 H6 109.5(15) . . ?\nH5 C9 H6 113(2) . . ?\nC8 C9 H7 114.4(15) . . ?\nH5 C9 H7 113(2) . . ?\nH6 C9 H7 101(3) . . ?\nC7 O1 H8 108.2(11) . . ?\nC8 O3 C2 115.7(6) . . ?\n\n_refine_diff_density_max 0.174\n_refine_diff_density_min -0.169\n_refine_diff_density_rms 0.041\n" }, { "path": "examples/tutorials_notebook/lt_quartz.cif", "content": "# generated using pymatgen\ndata_SiO2\n_symmetry_space_group_name_H-M P3_221\n_cell_length_a 5.02778205\n_cell_length_b 5.02778205\n_cell_length_c 5.51891800\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000000\n_symmetry_Int_Tables_number 154\n_chemical_formula_structural SiO2\n_chemical_formula_sum 'Si3 O6'\n_cell_volume 120.81961853\n_cell_formula_units_Z 3\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\n 2 '-y, x-y, z+2/3'\n 3 '-x+y, -x, z+1/3'\n 4 'y, x, -z'\n 5 'x-y, -y, -z+1/3'\n 6 '-x, -x+y, -z+2/3'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Si Si0 3 0.00000000 0.47729000 0.33333333 1\n O O1 6 0.16074000 0.74570300 0.53733367 1\n" }, { "path": "flask/.flaskenv", "content": "FLASK_APP=vxrd.py\nFLASK_DEBUG=1" }, { "path": "flask/README.md", "content": "# VXRD: Virtual X-Ray Diffraction\nVXRD is a web interface to visualize PyXtal's [PXRD](https://nbviewer.jupyter.org/github/qzhu2017/PyXtal/blob/master/examples/tutorials_notebook/03_pxrd.ipynb) module for X-ray diffraction analysis. The web app is currently hosted at https://vxrd.physics.unlv.edu/ for general use.\n\nTo run and view the VXRD web app on your local machine, ensure PyXtal is installed (`pip install pyxtal`) and run the following shell commands:\n```bash\n$ cd PyXtal/flask/\n$ pip install -r requirements.txt\n$ flask run\n```\n\nAdd the following to your .bashrc (or equivalent)\n```\n# VXRD Flask Environment Variables\nexport SECRET_KEY=asdf1234\n```\n\nIf everything is setup correctly, you should see the following output:\n```bash\n * Serving Flask app \"vxrd.py\"\n * ...\n * Running on http://127.0.0.1:5000/ (Press CTRL+C to quit)\n```\n\nThen, open your web browser and enter the following URL:\n`http://localhost:5000/`\n\nWhen finished, press `CTRL+C` in your terminal to shutdown the web-app.\n\n## VXRD: JSmol\nIn order to see the 3D structure visualized with JSmol, you'll need to unzip `jsmol.zip` into the following directory:\n```bash\n$ unzip jsmol.zip ./flask/app/static/\n```\n" }, { "path": "flask/app/__init__.py", "content": "import logging\nimport os\nfrom flask import Flask\nfrom config import Config\nfrom flask_bootstrap import Bootstrap\nfrom flask_uploads import patch_request_class\nfrom logging.handlers import SMTPHandler, RotatingFileHandler\n\n\napp = Flask(__name__)\napp.config.from_object(Config)\nbootstrap = Bootstrap(app)\npatch_request_class(app, size=16777216)\n\nfrom app import routes, errors\n\nif not app.debug:\n if app.config[\"MAIL_SERVER\"]:\n auth = None\n if app.config[\"MAIL_USERNAME\"] or app.config[\"MAIL_PASSWORD\"]:\n auth = (app.config[\"MAIL_USERNAME\"], app.config[\"MAIL_PASSWORD\"])\n secure = None\n if app.config[\"MAIL_USE_TLS\"]:\n secure = ()\n mail_handler = SMTPHandler(\n mailhost=(app.config[\"MAIL_SERVER\"], app.config[\"MAIL_PORT\"]),\n fromaddr=\"no-reply@\" + app.config[\"MAIL_SERVER\"],\n toaddrs=app.config[\"ADMINS\"],\n subject=\"VXRD Error Traceback\",\n credentials=auth,\n secure=secure,\n )\n mail_handler.setLevel(logging.ERROR)\n app.logger.addHandler(mail_handler)\n\n if not os.path.exists(\"logs\"):\n os.mkdir(\"logs\")\n file_handler = RotatingFileHandler(\"logs/vxrd.log\", maxBytes=10240, backupCount=10)\n file_handler.setFormatter(\n logging.Formatter(\n \"%(asctime)s %(levelname)s: %(message)s [in %(pathname)s:%(lineno)d]\"\n )\n )\n file_handler.setLevel(logging.INFO)\n app.logger.addHandler(file_handler)\n\n app.logger.setLevel(logging.INFO)\n app.logger.info(\"VXRD startup\")\n" }, { "path": "flask/app/errors.py", "content": "from flask import render_template\nfrom app import app\n\n\n@app.errorhandler(404)\ndef not_found_error(error):\n return render_template(\"404.html\"), 404\n\n\n@app.errorhandler(500)\ndef internal_error(error):\n return render_template(\"500.html\"), 500\n" }, { "path": "flask/app/forms.py", "content": "from flask_wtf import FlaskForm\nfrom flask_wtf.file import FileField, FileRequired, FileAllowed\nfrom wtforms import FloatField, SelectField, SubmitField\nfrom wtforms.validators import DataRequired, NumberRange, ValidationError\n\n\nclass MainForm(FlaskForm):\n upload = FileField(\n label=\"Input File (CIF, POSCAR, etc.)\",\n description='See table for a list of readable formats',\n )\n wavelength = FloatField(\n label=\"λ (Å)\",\n validators=[\n DataRequired(),\n NumberRange(min=0.1, max=5, message=\"From %(min)s Å to %(max)s Å\"),\n ],\n description=\"X-ray wavelength in angstroms\",\n default=1.54056,\n )\n min2theta = FloatField(\n label=\"2θmin (°)\",\n validators=[NumberRange(min=0, max=180, message=\"From %(min)s° to %(max)s°\")],\n description=\"Diffraction angle\",\n default=0,\n )\n max2theta = FloatField(\n label=\"2θmax (°)\",\n validators=[\n DataRequired(),\n NumberRange(min=5, max=180, message=\"From %(min)s° to %(max)s°\"),\n ],\n description=\"Diffraction angle\",\n default=90,\n )\n res = FloatField(\n label=\"Resolution (°)\",\n validators=[\n DataRequired(),\n NumberRange(min=1e-3, max=1, message=\"From %(min)s° to %(max)s°\"),\n ],\n description=\"Resolution in degrees\",\n default=0.01,\n )\n profiles = [\n (\"gaussian\", \"Gaussian\"),\n (\"lorentzian\", \"Lorentzian\"),\n (\"pseudo-voigt\", \"Pseudo-Voigt\"),\n (\"mod_pseudo-voigt\", \"Modified pseudo-Voigt\"),\n ]\n method = SelectField(\n label=\"Profiling Function\",\n choices=profiles,\n description=\"Applied to simulated XRD pattern\",\n )\n fwhm = FloatField(\n label=\"FWHM\",\n validators=[\n DataRequired(),\n NumberRange(min=1e-3, max=1, message=\"From %(min)s to %(max)s\"),\n ],\n description=\"Full width at half maximum\",\n default=0.02,\n )\n u = FloatField(\n label=\"U\",\n validators=[\n DataRequired(),\n NumberRange(min=1e-3, max=1, message=\"From %(min)s to %(max)s\"),\n ],\n description=\"Parameter\",\n default=5.776410e-03,\n )\n v = FloatField(\n label=\"V\",\n validators=[\n DataRequired(),\n NumberRange(min=-2.0e-03, max=-1.0e-03, message=\"%(min)s to %(max)s\"),\n ],\n description=\"Parameter\",\n default=-1.673830e-03,\n )\n w = FloatField(\n label=\"W\",\n validators=[\n DataRequired(),\n NumberRange(min=1e-3, max=1, message=\"From %(min)s to %(max)s\"),\n ],\n description=\"Parameter\",\n default=5.668770e-03,\n )\n a = FloatField(\n label=\"A\",\n validators=[\n DataRequired(),\n NumberRange(min=0.1, max=5, message=\"From %(min)s to %(max)s\"),\n ],\n description=\"Parameter\",\n default=1.03944,\n )\n eta_h = FloatField(\n label=\"ηh\",\n validators=[\n DataRequired(),\n NumberRange(min=0.1, max=1, message=\"From %(min)s to %(max)s\"),\n ],\n description=\"Parameter\",\n default=0.504656,\n )\n eta_l = FloatField(\n label=\"ηl\",\n validators=[\n DataRequired(),\n NumberRange(min=0.1, max=1, message=\"From %(min)s to %(max)s\"),\n ],\n description=\"Parameter\",\n default=0.611844,\n )\n submit = SubmitField(\"Visualize\")\n\n # Additional fields for comparison page\n upload2 = FileField(\n label=\"2nd Input File\", description=\"Second input to compare\"\n )\n shift = FloatField(\n label=\"Shift (°)\",\n validators=[NumberRange(min=0, max=180, message=\"From %(min)s to %(max)s\")],\n description=\"Shift for similarity\",\n default=2.0,\n )\n" }, { "path": "flask/app/routes.py", "content": "import io\nimport os\nimport plotly.graph_objects as go\nfrom flask import render_template, flash, session, Markup\nfrom app import app\nfrom app.forms import MainForm\nfrom werkzeug.utils import secure_filename\nfrom pyxtal.XRD import XRD\nfrom pyxtal.XRD import Similarity\nfrom pyxtal import pyxtal\n# from ase.io import read\n\n\n@app.route(\"/\")\n@app.route(\"/index\")\ndef index():\n return render_template(\"index.html\")\n\n\n@app.route(\"/individual\", methods=[\"GET\", \"POST\"])\ndef individual():\n form = MainForm()\n if form.validate_on_submit():\n if form.upload.data:\n process_upload(form)\n if not session.get(\"SAVEPATH\"): # new session\n flash(\n Markup(\n 'Error:\\\n Please upload an input file.'\n ),\n \"danger alert-dismissible\",\n )\n return render_template(\"individual.html\", title=\"Individual\", form=form)\n else:\n process_form(form)\n return render_template(\n \"individual.html\",\n title=\"Individual\",\n form=form,\n jsmol=True,\n plot=plot(),\n )\n # initial page visit\n return render_template(\"individual.html\", title=\"Individual\", form=form)\n\n\n@app.route(\"/comparison\", methods=[\"GET\", \"POST\"])\ndef comparison():\n form = MainForm()\n if form.validate_on_submit():\n if form.upload.data:\n process_upload(form)\n if form.upload2.data:\n process_upload(form, True)\n if not session.get(\"SAVEPATH\") or not session.get(\"SAVEPATH2\"): # new session\n flash(\n Markup(\n 'Error:\\\n Please upload two (2) input files.'\n ),\n \"danger alert-dismissible\",\n )\n return render_template(\"comparison.html\", title=\"Comparison\", form=form)\n else:\n process_form(form, True)\n return render_template(\n \"comparison.html\",\n title=\"Comparison\",\n form=form,\n jsmol=True,\n plot=compare(),\n )\n # initial page visit\n return render_template(\"comparison.html\", title=\"Comparison\", form=form)\n\n\n@app.route(\"/struct/\")\ndef structure(type: str):\n \"\"\"Return atomic structure as cif\"\"\"\n # s = pyxtal()\n # s.from_seed(session.get(\"SAVEPATH\"))\n # struct = s.to_ase()\n struct = read(session.get(\"SAVEPATH\"))\n\n if type == \"cif\":\n fd = io.BytesIO()\n struct.write(fd, \"cif\")\n return fd.getvalue(), 200, []\n else:\n return render_template(\"404.html\"), 404\n\n\n@app.route(\"/struct2/\")\ndef structure2(type: str):\n \"\"\"Return 2nd atomic structure as cif\"\"\"\n struct2 = read(session.get(\"SAVEPATH2\"))\n # s = pyxtal()\n # s.from_seed(session.get(\"SAVEPATH2\"))\n # struct2 = s.to_ase()\n\n if type == \"cif\":\n fd = io.BytesIO()\n struct2.write(fd, \"cif\")\n return fd.getvalue(), 200, []\n else:\n 1 / 0 # force error for invalid URLs\n\n\ndef process_upload(form, comp=False):\n \"\"\"\n Save upload, check validity, and update session.\n \"\"\"\n # Save uploaded file to disk\n if comp:\n f = form.upload2.data\n else:\n f = form.upload.data\n savepath = os.path.join(app.instance_path, \"uploads\", secure_filename(f.filename))\n f.save(savepath)\n\n # Check readability\n try:\n # read(savepath) # attempt ase.io.read\n\n # Update session keys\n if comp:\n session[\"FILENAME2\"] = f.filename\n session[\"SAVEPATH2\"] = savepath\n else:\n session[\"FILENAME\"] = f.filename\n session[\"SAVEPATH\"] = savepath\n flash(\n Markup(\n 'Success:\\\n {} successfully processed.'\n ).format(session.get(\"FILENAME\")),\n \"success alert-dismissible\",\n )\n except:\n flash(\n Markup(\n 'Error: \\\n Unable to read {}. Please try again or a \\\n different file.'\n ).format(f.filename),\n \"danger alert-dismissible\",\n )\n\n\ndef process_form(form, comp=True):\n \"\"\"\n Advanced form validation and session update.\n \"\"\"\n # Retrieve form data\n max2theta = form.max2theta.data\n min2theta = form.min2theta.data\n\n # Advanced form-level validation\n if min2theta > max2theta:\n min2theta = 0 # use default\n flash(\n Markup(\n 'Error: \\\n 2θmin greater than\\\n 2θmax—defaulting\\\n 2θmin to 0°.'\n ),\n \"warning alert-dismissible\",\n )\n\n # Update session keys\n session[\"WAVELENGTH\"] = form.wavelength.data\n session[\"MIN2THETA\"] = min2theta\n session[\"MAX2THETA\"] = max2theta\n session[\"RES\"] = form.res.data\n session[\"METHOD\"] = form.method.data\n session[\"FWHM\"] = form.fwhm.data\n session[\"U\"] = form.u.data\n session[\"V\"] = form.v.data\n session[\"W\"] = form.w.data\n session[\"A\"] = form.a.data\n session[\"ETA_H\"] = form.eta_h.data\n session[\"ETA_L\"] = form.eta_l.data\n if comp:\n session[\"SHIFT\"] = form.shift.data\n\n\ndef plot():\n \"\"\"\n Process and return PXRD plotly.\n \"\"\"\n method = session.get(\"METHOD\")\n if method == \"gaussian\" or method == \"lorentzian\" or method == \"pseudo-voigt\":\n kwargs = {\"FWHM\": session.get(\"FWHM\")}\n elif method == \"mod_pseudo-voigt\":\n kwargs = {\n \"U\": session.get(\"U\"),\n \"V\": session.get(\"V\"),\n \"W\": session.get(\"W\"),\n \"A\": session.get(\"A\"),\n \"eta_h\": session.get(\"ETA_H\"),\n \"eta_l\": session.get(\"ETA_L\"),\n }\n struct = read(session.get(\"SAVEPATH\"))\n xrd = XRD(\n struct,\n wavelength=session.get(\"WAVELENGTH\"),\n thetas=[session.get(\"MIN2THETA\"), session.get(\"MAX2THETA\")],\n )\n xrd.get_profile(method=method, res=session.get(\"RES\"), user_kwargs=kwargs)\n flash(\n Markup(\n 'Error: \\\n Showing {} with {} profiling.'\n ).format(session.get(\"FILENAME\"), method),\n \"info\",\n )\n return xrd.plotly_pxrd(profile=method, height=450)\n\n\ndef compare():\n \"\"\"\n Process and return comparison PXRD plotly.\n \"\"\"\n method = session.get(\"METHOD\")\n if method == \"gaussian\" or method == \"lorentzian\" or method == \"pseudo-voigt\":\n kwargs = {\"FWHM\": session.get(\"FWHM\")}\n elif method == \"mod_pseudo-voigt\":\n kwargs = {\n \"U\": session.get(\"U\"),\n \"V\": session.get(\"V\"),\n \"W\": session.get(\"W\"),\n \"A\": session.get(\"A\"),\n \"eta_h\": session.get(\"ETA_H\"),\n \"eta_l\": session.get(\"ETA_L\"),\n }\n files = [session.get(\"FILENAME\"), session.get(\"FILENAME2\")]\n structs = [read(session.get(\"SAVEPATH\")), read(session.get(\"SAVEPATH2\"))]\n xrds = []\n\n for struct in structs:\n xrd = XRD(\n struct,\n wavelength=session.get(\"WAVELENGTH\"),\n thetas=[session.get(\"MIN2THETA\"), session.get(\"MAX2THETA\")],\n )\n xrd.get_profile(method=method, res=session.get(\"RES\"), user_kwargs=kwargs)\n xrds.append(xrd)\n\n S = Similarity(xrds[0].get_profile(), xrds[1].get_profile(), l=session.get(\"SHIFT\"))\n\n # S.calculate()\n title = \"PXRD Similarity {:6.3f} with shift\\\n {:6.3f}\".format(S.S, S.l)\n traces = []\n\n # for i, xrd in enumerate(xrds):\n # traces.append(go.Scatter(x=xrd.spectra[0], y=xrd.spectra[1], name=str(files[i])))\n traces.append(go.Scatter(x=S.fx, y=S.fy, name=str(files[0])))\n traces.append(go.Scatter(x=S.fx, y=-S.gy, name=str(files[1])))\n\n fig = go.Figure(data=traces)\n fig.update_layout(\n height=450,\n title_text=title,\n title_x=0.5,\n xaxis_title=\"2θ ({:.4f}\\\n Å)\".format(session.get(\"WAVELENGTH\")),\n yaxis_title=\"Intensity\",\n )\n flash(\n Markup(\n 'Error: \\\n Comparing {} and {} with\\\n {} profiling.'\n ).format(session.get(\"FILENAME\"), session.get(\"FILENAME2\"), method),\n \"info\",\n )\n return fig.to_html()\n\n\ndef read(savepath):\n s = pyxtal()\n s.from_seed(savepath)\n return s.to_ase()\n" }, { "path": "flask/app/static/css/custom.css", "content": "::selection {\n background:#b10202;\n color:#fff;\n}\n.navbar {\n min-height: 65px;\n margin-bottom: 0px;\n}\n.navbar-nav {\n padding-top: 8px;\n}\n.navbar-brand>img {\n height: 33px;\n}\n.navbar-default .navbar-nav>li>a {\n font-size: 14px;\n font-weight: 600;\n color: #222;\n}\n.navbar-default .navbar-nav>li>a:focus-within,\n.navbar-default .navbar-nav>li>a:focus,\n.navbar-default .navbar-nav>li>a:hover,\n.navbar-default .navbar-nav>li>a:active,\n.navbar-default .navbar-nav>li>a:active:focus {\n font-size: 14px;\n font-weight: 600;\n color: #b10202;\n}\n.jumbotron {\n background-image: url(\"/static/img/grid.jpg\");\n\n /* Position and center the image to scale nicely on all screens */\n background-position: center;\n background-repeat: no-repeat;\n background-size: cover;\n position: relative;\n}\n.center {\n display: block;\n margin-left: auto;\n margin-right: auto;\n width: 80%;\n}\n.cta {\n text-align: center;\n padding-top: 40px;\n}\n.h1, .h2, .h3, .h4, .h5, .h6, h1, h2, h3, h4, h5, h6 {\n color:#b10202;\n}\na {\n color:#b10202;\n}\na:hover {\n color:#222;\n}\n.form-control:focus {\n border-color: #b10202;\n box-shadow: inset 0 1px 1px rgba(0,0,0,.075), 0 0 8px rgba(226, 92, 92, 0.6);\n}\n.btn-primary {\n background-color: #ca0202;\n border-color: #ca0202;\n}\n.btn-primary:focus-within, .btn-primary:focus, .btn-primary:hover,\n.btn-primary:active, .btn-primary:active:focus {\n background-color: #970202;\n border-color: #970202;\n}\n.btn-link {\n color: #b10202;\n}\n.btn-link:focus-within, .btn-link:focus, .btn-link:hover,\n.btn-link:active {\n color:#222;\n}\n" }, { "path": "flask/app/static/jsmol.js", "content": "var jmol;\nvar Info = {\n color: \"0xFFFFFF\",\n height: 400,\n width: 550,\n use: \"HTML5\",\n allowJavaScript: false,\n j2sPath: \"/static/jsmol/j2s\",\n script: \"set displaycellparameters false; load struct/cif { 1 1 1 };\",\n addSelectionOptions: false,\n disableJ2SLoadMonitor: true,\n disableInitialConsole: true,\n debug: false,\n};\nvar jmol2;\nvar Info2 = {\n color: \"0xFFFFFF\",\n height: 400,\n width: 550,\n use: \"HTML5\",\n allowJavaScript: false,\n j2sPath: \"/static/jsmol/j2s\",\n script: \"set displaycellparameters false; load struct2/cif { 1 1 1 };\",\n addSelectionOptions: false,\n disableJ2SLoadMonitor: true,\n disableInitialConsole: true,\n debug: false,\n};\n\nfunction repeatCell(n1, n2, n3, num) {\n var s = '{ ' + n1.toString() + ' ' + n2.toString() + ' ' + n3.toString() + ' };';\n if (num) Jmol.script(jmol2, 'load \"\" ' + s);\n else Jmol.script(jmol, 'load \"\" ' + s);\n}\n\n$(document).ready(function() {\n $(\"#appdiv\").html(Jmol.getAppletHtml(\"jmol\", Info));\n $(\"#appdiv2\").html(Jmol.getAppletHtml(\"jmol2\", Info2));\n})\n" }, { "path": "flask/app/templates/404.html", "content": "{% extends \"base.html\" %}\n\n{% block app_content %}\n

File not found

\n

Back

\n{% endblock %}" }, { "path": "flask/app/templates/500.html", "content": "{% extends \"base.html\" %}\n\n{% block app_content %}\n

An unexpected error has occurred

\n

An administrator has been notified. We apologize for any inconvenience.

\n

Back

\n{% endblock %}\n" }, { "path": "flask/app/templates/_formhelpers.html", "content": "{% macro render_field(field, class) %}\n {% if field.errors %}\n
\n {% else %}\n
\n {% endif %}\n \n {{ field(class=\"form-control\")|safe }}\n {% if field.errors %}\n {% for error in field.errors %}\n

{{ error }}

\n {% endfor %}\n {% else %}\n

{{ field.description }}

\n {% endif %}\n
\n{% endmacro %}\n\n{% macro structure(num) %}\n
\n
\n \n \n
\n{% endmacro %}\n" }, { "path": "flask/app/templates/base.html", "content": "\n \n\n{% extends 'bootstrap/base.html' %}\n\n{% block title %}\n {% if title %}\n {{ title }} - VXRD\n {% else %}\n VXRD\n {% endif %}\n{% endblock %}\n\n{% block navbar %}\n \n \n{% endblock %}\n\n{% block content %}\n \n \n \n \n\n \n \n \n\n \n {# special full-width block for homepage jumbotron #}\n {% block splash %}{% endblock %}\n
\n \n {% if progress %}\n
\n
\n {{ progress }}%\n
\n
\n {% endif %}\n \n \n {% with messages = get_flashed_messages(with_categories=true) %}\n {% if messages %}\n {% for category, message in messages %}\n
\n {% if 'success alert-dismissible' == category\n or 'danger alert-dismissible' == category\n or 'warning alert-dismissible' == category %}\n \n {% endif %}\n {{ message }}\n
\n {% endfor %}\n {% endif %}\n {% endwith %}\n \n\n {# application content needs to be provided in the app_content block #}\n {% block app_content %}{% endblock %}\n
\n\n
\n

\n © \n \n Stanley A. Baronett & Qiang Zhu\n

\n
\n{% endblock %}\n" }, { "path": "flask/app/templates/comparison.html", "content": "{% extends \"base.html\" %}\n{% import 'bootstrap/wtf.html' as wtf %}\n{% from \"_formhelpers.html\" import render_field, structure %}\n\n{% block app_content %}\n

Comparison

\n
\n
\n {{ form.hidden_tag() }}\n {{ wtf.form_errors(form, hiddens=\"only\") }}\n
\n {{ wtf.form_field(form.upload) }}\n {{ wtf.form_field(form.upload2) }}\n {{ wtf.form_field(form.wavelength) }}\n {{ wtf.form_field(form.res) }}\n \n \n \n \n \n
{{ wtf.form_field(form.min2theta) }}{{ wtf.form_field(form.max2theta) }}
\n {{ wtf.form_field(form.submit, button_map={'submit': 'primary'}) }}\n
\n
\n {{ wtf.form_field(form.shift) }}\n {{ render_field(form.method) }}\n {{ render_field(form.fwhm, \"glpv\") }}\n \n \n \n \n \n \n \n \n \n \n \n \n \n
{{ render_field(form.u, \"modpv\") }}{{ render_field(form.v, \"modpv\") }}
{{ render_field(form.w, \"modpv\") }}{{ render_field(form.a, \"modpv\") }}
{{ render_field(form.eta_h, \"modpv\") }}{{ render_field(form.eta_l, \"modpv\") }}
\n
\n
\n {% if jsmol %}\n {{ structure() }}\n {% endif %}\n
\n
\n
\n
\n
\n {% if plot %}\n {{ plot|safe }}\n {% endif %}\n
\n
\n {% if jsmol %}\n {{ structure(2) }}\n {% endif %}\n
\n
\n{% endblock %}\n" }, { "path": "flask/app/templates/index.html", "content": "{% extends \"base.html\" %}\n{% import 'bootstrap/wtf.html' as wtf %}\n\n{% block splash %}\n
\n
\n \"VXRD:\n
\n \n \n Individual\n \n \n Comparison \n \n \n
\n
\n
\n{% endblock %}\n\n{% block app_content %}\n{% endblock %}\n" }, { "path": "flask/app/templates/individual.html", "content": "{% extends \"base.html\" %}\n{% import 'bootstrap/wtf.html' as wtf %}\n{% from \"_formhelpers.html\" import render_field, structure %}\n\n{% block app_content %}\n

Individual

\n
\n
\n {{ form.hidden_tag() }}\n {{ wtf.form_errors(form, hiddens=\"only\") }}\n
\n {{ wtf.form_field(form.upload) }}\n {{ wtf.form_field(form.wavelength) }}\n {{ wtf.form_field(form.res) }}\n \n \n \n \n \n
{{ wtf.form_field(form.min2theta) }}{{ wtf.form_field(form.max2theta) }}
\n {{ wtf.form_field(form.submit, button_map={'submit': 'primary'}) }}\n
\n
\n {{ render_field(form.method) }}\n {{ render_field(form.fwhm, \"glpv\") }}\n \n \n \n \n \n \n \n \n \n \n \n \n \n
{{ render_field(form.u, \"modpv\") }}{{ render_field(form.v, \"modpv\") }}
{{ render_field(form.w, \"modpv\") }}{{ render_field(form.a, \"modpv\") }}
{{ render_field(form.eta_h, \"modpv\") }}{{ render_field(form.eta_l, \"modpv\") }}
\n
\n
\n {% if jsmol %}\n {{ structure() }}\n {% endif %}\n
\n
\n
\n
\n
\n {% if plot %}\n {{ plot|safe }}\n {% endif %}\n
\n
\n{% endblock %}\n" }, { "path": "flask/app/templates/scratch.html", "content": "\n\n.navbar {\n min-height: 50px;\n}\n\n
\n \n {{ form.method(class=\"form-control\") }}\n

{{ form.method.description }}

\n
\n
\n \n {{ form.fwhm(class=\"form-control\") }}\n

{{ form.fwhm.description }}

\n
\n
\n \n {{ form.u(class=\"form-control\", style=\"display: none;\") }}\n

{{ form.u.description }}

\n
\n
\n \n {{ form.v(class=\"form-control\", style=\"display: none;\") }}\n

{{ form.v.description }}

\n
\n
\n \n {{ form.w(class=\"form-control\", style=\"display: none;\") }}\n

{{ form.w.description }}

\n
\n
\n \n {{ form.a(class=\"form-control\", style=\"display: none;\") }}\n

{{ form.a.description }}

\n
\n
\n \n {{ form.eta_h(class=\"form-control\", style=\"display: none;\") }}\n

{{ form.eta_h.description }}

\n
\n
\n \n {{ form.eta_l(class=\"form-control\", style=\"display: none;\") }}\n

{{ form.eta_l.description }}

\n
\n\n$('#fwhm-label').show();\n$('#fwhm').show();\n$('#fwhm-help').show();\n$('#u-label').hide();\n$('#u').hide();\n$('#u-help').hide();\n$('#v-label').hide();\n$('#v').hide();\n$('#v-help').hide();\n$('#w-label').hide();\n$('#w').hide();\n$('#w-help').hide();\n$('#a-label').hide();\n$('#a').hide();\n$('#a-help').hide();\n$('#eta_h-label').hide();\n$('#eta_h').hide();\n$('#eta_h-help').hide();\n$('#eta_l-label').hide();\n$('#eta_l').hide();\n$('#eta_l-help').hide();\n\n$('#fwhm-label').hide();\n$('#fwhm').hide();\n$('#fwhm-help').hide();\n$('#u-label').show();\n$('#u').show();\n$('#u-help').show();\n$('#v-label').show();\n$('#v').show();\n$('#v-help').show();\n$('#w-label').show();\n$('#w').show();\n$('#w-help').show();\n$('#a-label').show();\n$('#a').show();\n$('#a-help').show();\n$('#eta_h-label').show();\n$('#eta_h').show();\n$('#eta_h-help').show();\n$('#eta_l-label').show();\n$('#eta_l').show();\n$('#eta_l-help').show();\n\n\nvar Info = {\n width: 550,\n height: 400,\n debug: false,\n color: \"0xFFFFFF\",\n addSelectionOptions: false,\n use: \"HTML5\",\n j2sPath: \"/static/jsmol/j2s\",\n readyFunction: jmol_isReady,\n disableJ2SLoadMonitor: true,\n disableInitialConsole: true,\n allowJavaScript: false\n};\n\n\n" }, { "path": "flask/config.py", "content": "import os\n\n\nclass Config:\n SECRET_KEY = os.environ.get(\"SECRET_KEY\")\n\n MAIL_SERVER = os.environ.get(\"MAIL_SERVER\")\n MAIL_PORT = int(os.environ.get(\"MAIL_PORT\") or 25)\n MAIL_USE_TLS = os.environ.get(\"MAIL_USE_TLS\") is not None\n MAIL_USERNAME = os.environ.get(\"MAIL_USERNAME\")\n MAIL_PASSWORD = os.environ.get(\"MAIL_PASSWORD\")\n ADMINS = [\"vxrd.info@gmail.com\"]\n" }, { "path": "flask/instance/uploads/C1-POSCAR", "content": "Al4 Si4 O18\n1.0\n4.982933 0.000000 -1.322318\n-0.041668 8.940766 -0.265359\n0.000000 0.000000 7.404800\nAl Si O\n4 4 18\ndirect\n0.297100 0.495700 0.472100 Al\n0.797100 0.995700 0.472100 Al\n0.792600 0.330000 0.469900 Al\n0.292600 0.830000 0.469900 Al\n0.994200 0.339300 0.090900 Si\n0.494200 0.839300 0.090900 Si\n0.506400 0.166500 0.091300 Si\n0.006400 0.666500 0.091300 Si\n0.050100 0.353900 0.317000 O\n0.550100 0.853900 0.317000 O\n0.121400 0.660400 0.317500 O\n0.621400 0.160400 0.317500 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.208500 0.230500 0.024700 O\n0.708500 0.730500 0.024700 O\n0.201200 0.765700 0.003200 O\n0.701200 0.265700 0.003200 O\n0.051000 0.969800 0.322000 O\n0.551000 0.469800 0.322000 O\n0.964900 0.166500 0.605100 O\n0.464900 0.666500 0.605100 O\n0.034800 0.476900 0.608000 O\n0.534800 0.976900 0.608000 O\n0.033400 0.857000 0.609400 O\n0.533400 0.357000 0.609400 O\n" }, { "path": "flask/instance/uploads/NaCl-POSCAR", "content": "Na4 Cl4\n1.0\n5.691694 0.000000 0.000000\n0.000000 5.691694 0.000000\n0.000000 0.000000 5.691694\nNa Cl\n4 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n0.500000 0.500000 0.500000 Cl\n0.500000 0.000000 0.000000 Cl\n" }, { "path": "flask/instance/uploads/NaCl.cif", "content": "#------------------------------------------------------------------------------\n#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $\n#$Revision: 130149 $\n#$URL: svn://www.crystallography.net/cod/cif/1/00/00/1000041.cif $\n#------------------------------------------------------------------------------\n#\n# This file is available in the Crystallography Open Database (COD),\n# http://www.crystallography.net/\n#\n# All data on this site have been placed in the public domain by the\n# contributors.\n#\ndata_1000041\nloop_\n_publ_author_name\n'Abrahams, S C'\n'Bernstein, J L'\n_publ_section_title\n;\nAccuracy of an automatic diffractometer. measurement of the sodium\nchloride structure factors\n;\n_journal_coden_ASTM ACCRA9\n_journal_name_full 'Acta Crystallographica (1,1948-23,1967)'\n_journal_page_first 926\n_journal_page_last 932\n_journal_paper_doi 10.1107/S0365110X65002244\n_journal_volume 18\n_journal_year 1965\n_chemical_formula_structural 'Na Cl'\n_chemical_formula_sum 'Cl Na'\n_chemical_name_systematic 'Sodium chloride'\n_space_group_IT_number 225\n_symmetry_cell_setting cubic\n_symmetry_Int_Tables_number 225\n_symmetry_space_group_name_Hall '-F 4 2 3'\n_symmetry_space_group_name_H-M 'F m -3 m'\n_cell_angle_alpha 90\n_cell_angle_beta 90\n_cell_angle_gamma 90\n_cell_formula_units_Z 4\n_cell_length_a 5.64167\n_cell_length_b 5.64167\n_cell_length_c 5.64167\n_cell_volume 177.5\n_refine_ls_R_factor_all 0.022\n_cod_database_code 1000041\nloop_\n_symmetry_equiv_pos_as_xyz\nx,y,z\ny,z,x\nz,x,y\nx,z,y\ny,x,z\nz,y,x\nx,-y,-z\ny,-z,-x\nz,-x,-y\nx,-z,-y\ny,-x,-z\nz,-y,-x\n-x,y,-z\n-y,z,-x\n-z,x,-y\n-x,z,-y\n-y,x,-z\n-z,y,-x\n-x,-y,z\n-y,-z,x\n-z,-x,y\n-x,-z,y\n-y,-x,z\n-z,-y,x\n-x,-y,-z\n-y,-z,-x\n-z,-x,-y\n-x,-z,-y\n-y,-x,-z\n-z,-y,-x\n-x,y,z\n-y,z,x\n-z,x,y\n-x,z,y\n-y,x,z\n-z,y,x\nx,-y,z\ny,-z,x\nz,-x,y\nx,-z,y\ny,-x,z\nz,-y,x\nx,y,-z\ny,z,-x\nz,x,-y\nx,z,-y\ny,x,-z\nz,y,-x\nx,1/2+y,1/2+z\n1/2+x,y,1/2+z\n1/2+x,1/2+y,z\ny,1/2+z,1/2+x\n1/2+y,z,1/2+x\n1/2+y,1/2+z,x\nz,1/2+x,1/2+y\n1/2+z,x,1/2+y\n1/2+z,1/2+x,y\nx,1/2+z,1/2+y\n1/2+x,z,1/2+y\n1/2+x,1/2+z,y\ny,1/2+x,1/2+z\n1/2+y,x,1/2+z\n1/2+y,1/2+x,z\nz,1/2+y,1/2+x\n1/2+z,y,1/2+x\n1/2+z,1/2+y,x\nx,1/2-y,1/2-z\n1/2+x,-y,1/2-z\n1/2+x,1/2-y,-z\ny,1/2-z,1/2-x\n1/2+y,-z,1/2-x\n1/2+y,1/2-z,-x\nz,1/2-x,1/2-y\n1/2+z,-x,1/2-y\n1/2+z,1/2-x,-y\nx,1/2-z,1/2-y\n1/2+x,-z,1/2-y\n1/2+x,1/2-z,-y\ny,1/2-x,1/2-z\n1/2+y,-x,1/2-z\n1/2+y,1/2-x,-z\nz,1/2-y,1/2-x\n1/2+z,-y,1/2-x\n1/2+z,1/2-y,-x\n-x,1/2+y,1/2-z\n1/2-x,y,1/2-z\n1/2-x,1/2+y,-z\n-y,1/2+z,1/2-x\n1/2-y,z,1/2-x\n1/2-y,1/2+z,-x\n-z,1/2+x,1/2-y\n1/2-z,x,1/2-y\n1/2-z,1/2+x,-y\n-x,1/2+z,1/2-y\n1/2-x,z,1/2-y\n1/2-x,1/2+z,-y\n-y,1/2+x,1/2-z\n1/2-y,x,1/2-z\n1/2-y,1/2+x,-z\n-z,1/2+y,1/2-x\n1/2-z,y,1/2-x\n1/2-z,1/2+y,-x\n-x,1/2-y,1/2+z\n1/2-x,-y,1/2+z\n1/2-x,1/2-y,z\n-y,1/2-z,1/2+x\n1/2-y,-z,1/2+x\n1/2-y,1/2-z,x\n-z,1/2-x,1/2+y\n1/2-z,-x,1/2+y\n1/2-z,1/2-x,y\n-x,1/2-z,1/2+y\n1/2-x,-z,1/2+y\n1/2-x,1/2-z,y\n-y,1/2-x,1/2+z\n1/2-y,-x,1/2+z\n1/2-y,1/2-x,z\n-z,1/2-y,1/2+x\n1/2-z,-y,1/2+x\n1/2-z,1/2-y,x\n-x,1/2-y,1/2-z\n1/2-x,-y,1/2-z\n1/2-x,1/2-y,-z\n-y,1/2-z,1/2-x\n1/2-y,-z,1/2-x\n1/2-y,1/2-z,-x\n-z,1/2-x,1/2-y\n1/2-z,-x,1/2-y\n1/2-z,1/2-x,-y\n-x,1/2-z,1/2-y\n1/2-x,-z,1/2-y\n1/2-x,1/2-z,-y\n-y,1/2-x,1/2-z\n1/2-y,-x,1/2-z\n1/2-y,1/2-x,-z\n-z,1/2-y,1/2-x\n1/2-z,-y,1/2-x\n1/2-z,1/2-y,-x\n-x,1/2+y,1/2+z\n1/2-x,y,1/2+z\n1/2-x,1/2+y,z\n-y,1/2+z,1/2+x\n1/2-y,z,1/2+x\n1/2-y,1/2+z,x\n-z,1/2+x,1/2+y\n1/2-z,x,1/2+y\n1/2-z,1/2+x,y\n-x,1/2+z,1/2+y\n1/2-x,z,1/2+y\n1/2-x,1/2+z,y\n-y,1/2+x,1/2+z\n1/2-y,x,1/2+z\n1/2-y,1/2+x,z\n-z,1/2+y,1/2+x\n1/2-z,y,1/2+x\n1/2-z,1/2+y,x\nx,1/2-y,1/2+z\n1/2+x,-y,1/2+z\n1/2+x,1/2-y,z\ny,1/2-z,1/2+x\n1/2+y,-z,1/2+x\n1/2+y,1/2-z,x\nz,1/2-x,1/2+y\n1/2+z,-x,1/2+y\n1/2+z,1/2-x,y\nx,1/2-z,1/2+y\n1/2+x,-z,1/2+y\n1/2+x,1/2-z,y\ny,1/2-x,1/2+z\n1/2+y,-x,1/2+z\n1/2+y,1/2-x,z\nz,1/2-y,1/2+x\n1/2+z,-y,1/2+x\n1/2+z,1/2-y,x\nx,1/2+y,1/2-z\n1/2+x,y,1/2-z\n1/2+x,1/2+y,-z\ny,1/2+z,1/2-x\n1/2+y,z,1/2-x\n1/2+y,1/2+z,-x\nz,1/2+x,1/2-y\n1/2+z,x,1/2-y\n1/2+z,1/2+x,-y\nx,1/2+z,1/2-y\n1/2+x,z,1/2-y\n1/2+x,1/2+z,-y\ny,1/2+x,1/2-z\n1/2+y,x,1/2-z\n1/2+y,1/2+x,-z\nz,1/2+y,1/2-x\n1/2+z,y,1/2-x\n1/2+z,1/2+y,-x\nloop_\n_atom_site_label\n_atom_site_type_symbol\n_atom_site_symmetry_multiplicity\n_atom_site_Wyckoff_symbol\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\n_atom_site_occupancy\n_atom_site_attached_hydrogens\n_atom_site_calc_flag\nNa1 Na1+ 4 a 0. 0. 0. 1. 0 d\nCl1 Cl1- 4 b 0.5 0.5 0.5 1. 0 d\nloop_\n_atom_type_symbol\n_atom_type_oxidation_number\nNa1+ 1.000\nCl1- -1.000\n" }, { "path": "flask/instance/uploads/R3c-POSCAR", "content": "Fe2 O6\n1.0\n4.463163 0.000000 3.092746\n1.619599 4.158933 3.092746\n0.000000 0.000000 5.430000\nFe O\n2 6\ndirect\n0.105000 0.105000 0.105000 Fe\n0.605000 0.605000 0.605000 Fe\n0.292000 0.708000 0.000000 O\n0.792000 0.500000 0.208000 O\n0.000000 0.292000 0.708000 O\n0.208000 0.792000 0.500000 O\n0.708000 0.000000 0.292000 O\n0.500000 0.208000 0.792000 O\n" }, { "path": "flask/instance/uploads/fail_test.txt", "content": "" }, { "path": "flask/requirements.txt", "content": "click==7.1.2\nFlask==3.1.3\nFlask-Bootstrap==3.3.7.1\nFlask-Uploads==0.2.1\nFlask-WTF==0.15.1\nitsdangerous==1.1.0\nJinja2==3.1.6\nMarkupSafe==2.0.1\npython-dotenv==0.17.1\nvisitor==0.1.3\nWerkzeug==3.1.6\nWTForms==2.2.1\n" }, { "path": "flask/vxrd.py", "content": "from app import app\n" }, { "path": "images/Logo license.txt", "content": "This logo design created by Dee-y (https://github.com/dee-y) is licensed under a Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/)" }, { "path": "pyproject.toml", "content": "[tool.mypy]\nno_implicit_optional = false\n\n[tool.ruff]\ntarget-version = \"py39\"\nline-length = 120\ninclude = [\"**/pyproject.toml\", \"*.ipynb\", \"*.py\", \"*.pyi\"]\nlint.select = [\n \"C4\", # flake8-comprehensions\n \"E\", # pycodestyle error\n \"F\", # pyflakes\n \"FA\", # flake8-future-annotations\n \"FLY\", # flynt\n \"I\", # isort\n \"ICN\", # flake8-import-conventions\n \"ISC\", # flake8-implicit-str-concat\n \"PD\", # pandas-vet\n \"PERF\", # perflint\n \"PIE\", # flake8-pie\n \"PL\", # pylint\n \"PT\", # flake8-pytest-style\n \"PYI\", # flakes8-pyi\n \"Q\", # flake8-quotes\n \"RET\", # flake8-return\n \"RSE\", # flake8-raise\n \"RUF\", # Ruff-specific rules\n \"SIM\", # flake8-simplify\n \"SLOT\", # flake8-slots\n \"TCH\", # flake8-type-checking\n \"TID\", # tidy imports\n \"TID\", # flake8-tidy-imports\n \"UP\", # pyupgrade\n \"W\", # pycodestyle warning\n \"YTT\", # flake8-2020\n]\nlint.ignore = [\n \"C408\", # Unnecessary dict call - rewrite as a literal\n \"E731\", # Do not assign a lambda expression, use a def\n \"PD901\", # pandas-df-variable-name\n \"PLR\", # pylint refactor\n \"PT006\", # pytest-parametrize-names-wrong-type\n \"E741\", # ambiguous variable name -- turn off due to miller indices h, k, l\n \"E722\", # do not use bare 'except' -- should be fixed but too much tech debt to fix now\n \"RET505\", # Unnecessary else after return\n \"SIM300\", # Yoda conditions are not allowed\n \"PLW2901\", # loop variable is overwritten\n]\nlint.pydocstyle.convention = \"google\"\nlint.isort.known-third-party = [\"wandb\"]\n" }, { "path": "pyxtal/XRD.py", "content": "\"\"\"\nModule for XRD simulation\n\"\"\"\n\nimport collections\nimport importlib.resources\nimport os\n\nimport numpy as np\nfrom monty.serialization import loadfn\nfrom scipy.interpolate import interp1d\nfrom scipy.special import erf, wofz\nfrom pyxtal.database.element import Element\n\nwith importlib.resources.as_file(\n importlib.resources.files(\"pyxtal\") / \"database\" / \"atomic_scattering_params.json\"\n) as path:\n ATOMIC_SCATTERING_PARAMS = loadfn(path)\n\n\nclass XRD:\n \"\"\"\n A class to compute the powder XRD.\n\n Args:\n crystal: ase atoms object\n wavelength (float): wavelength of the X-ray in Angstrom (default: 1.54184)\n thetas (list): list of 2theta angles in degrees (default: [0, 180])\n res (float): resolution of the XRD in degrees (default: 0.01)\n per_N (int): number of hkl per process (default: 30000)\n ncpu: int, number of cpu to use (default: 1)\n preferred_orientation: boolean, whether to use preferred orientation\n march_parameter: float, the march parameter for preferred orientation\n TWO_THETA_TOL: tolerance to find repeating angles\n SCALED_INTENSITY_TOL: threshold for intensities\n \"\"\"\n\n def __init__(\n self,\n crystal,\n wavelength=1.54184,\n thetas=[0, 180],\n res=0.01,\n per_N=30000,\n ncpu=1,\n filename=None,\n preferred_orientation=False,\n march_parameter=None,\n TWO_THETA_TOL=1e-5,\n SCALED_INTENSITY_TOL=1e-5,\n ):\n\n self.res = np.radians(res)\n if filename is None:\n self.wavelength = wavelength\n self.min2theta = np.radians(thetas[0])\n self.max2theta = np.radians(thetas[1])\n self.per_N = per_N\n self.ncpu = ncpu\n self.name = crystal.get_chemical_formula()\n self.preferred_orientation = preferred_orientation\n self.debye_waller_factor = 1.0 # default no debye waller factor\n self.march_parameter = march_parameter\n self.SCALED_INTENSITY_TOL = SCALED_INTENSITY_TOL\n self.TWO_THETA_TOL = TWO_THETA_TOL\n self.all_dhkl(crystal)\n self.skip_hkl = self.intensity(crystal)\n self.pxrdf()\n else:\n self.load(filename)\n\n def save(self, filename):\n \"\"\"\n savetxt file\n \"\"\"\n header = f\"wavelength/thetas {self.wavelength:12.6f} {np.degrees(self.min2theta):6.2f} {np.degrees(self.max2theta):6.2f}\"\n np.savetxt(filename, self.pxrd, header=header)\n\n def load(self, filename):\n \"\"\"\n Load the pxrd from txt file\n \"\"\"\n fp = open(filename)\n tmp = fp.readline()\n res = tmp.split()[2:]\n self.wavelength = float(res[0])\n self.min2theta = np.radians(float(res[1]))\n self.max2theta = np.radians(float(res[2]))\n\n pxrd = np.loadtxt(filename)\n self.theta2 = pxrd[:, 0]\n self.d_hkls = pxrd[:, 1]\n self.xrd_intensity = pxrd[:, -1]\n hkl_labels = []\n for i in range(len(pxrd)):\n h, k, l = int(pxrd[i, 2]), int(pxrd[i, 3]), int(pxrd[i, 4])\n hkl_labels.append([{\"hkl\": (h, k, l), \"multiplicity\": 1}])\n self.hkl_labels = hkl_labels\n self.pxrd = pxrd\n self.name = filename\n\n def __str__(self):\n return self.by_hkl()\n\n def __repr__(self):\n return str(self)\n\n def by_hkl(self, hkl=None, N_max=None):\n \"\"\"\n d for any give abitray [h,k,l] index\n \"\"\"\n s = \"\"\n if hkl is None:\n id1 = self.hkl_labels\n seqs = range(len(id1))\n if N_max is not None:\n seqs = range(min(N_max, len(id1)))\n else:\n seqs = None\n for id, label in enumerate(self.hkl_labels):\n hkl0 = list(label[0][\"hkl\"]) # label['multiplicity']\n if hkl == hkl0:\n seqs = [id]\n\n if seqs is not None:\n s += \" 2theta d_hkl hkl Intensity Multi\\n\"\n for i in seqs:\n s += f\"{self.theta2[i]:8.3f} {self.d_hkls[i]:8.3f} \"\n s += \"[{:2d} {:2d} {:2d}]\".format(*self.hkl_labels[i][0][\"hkl\"])\n s += f\" {100 * self.xrd_intensity[i] / max(self.xrd_intensity):8.2f} \"\n s += \"{:8d}\\n\".format(self.hkl_labels[i][0][\"multiplicity\"])\n else:\n s += \"This hkl is not in the given 2theta range\"\n\n return s\n\n def all_dhkl(self, crystal):\n \"\"\"\n 3x3 representation -> 1x6 (a, b, c, alpha, beta, gamma)\n \"\"\"\n rec_matrix = crystal.cell.reciprocal()\n eps = 1e-8 # small value to avoid division by zero\n d_max = self.wavelength / (np.sin(self.min2theta / 2) + eps) / 2\n d_min = self.wavelength / (np.sin(self.max2theta / 2) + eps) / 2\n\n # This block is to find the shortest d_hkl\n hkl_index = create_index() # 2, 2, 2)\n hkl_max = np.array([1, 1, 1])\n\n for index in hkl_index:\n d = np.linalg.norm(np.dot(index, rec_matrix))\n multiple = int(np.ceil(1 / d / d_min))\n index *= multiple\n for i in range(len(hkl_max)):\n if hkl_max[i] < index[i]:\n hkl_max[i] = index[i]\n\n h1, k1, l1 = hkl_max\n h = np.arange(-h1, h1 + 1)\n k = np.arange(-k1, k1 + 1)\n l = np.arange(-l1, l1 + 1)\n\n hkl = np.array(np.meshgrid(h, k, l)).transpose()\n hkl_list = np.reshape(hkl, [len(h) * len(k) * len(l), 3])\n hkl_list = hkl_list[np.where(hkl_list.any(axis=1))[0]]\n d_hkl = 1 / np.linalg.norm(np.dot(hkl_list, rec_matrix), axis=1)\n\n shortlist = np.where((d_hkl >= d_min) & (d_hkl < d_max))[0]\n d_hkl = d_hkl[shortlist]\n hkl_list = hkl_list[shortlist]\n sintheta = self.wavelength / 2 / d_hkl\n\n self.theta = np.arcsin(sintheta)#; print(self.theta[0:5000:])#; import sys; sys.exit()\n self.hkl_list = np.array(hkl_list, dtype=int)#; print(self.hkl_list[0:5000:]); import sys; sys.exit()\n self.d_hkl = d_hkl\n\n def intensity(self, crystal):\n \"\"\"\n This function calculates all that is necessary to find the intensities.\n This scheme is similar to pymatgen\n If the number of hkl is significanly large, will automtically switch to\n the fast mode in which we only calculate the intensity and do not care\n the exact hkl families\n\n Args:\n\n \"\"\"\n # obtain scattering parameters, atomic numbers, and occus\n # print(\"total number of hkl lists\", len(self.hkl_list))\n # print(\"total number of coords:\", len(crystal.get_scaled_positions()))\n # from time import time\n # t0 = time()\n\n N_atom, N_hkls = len(crystal), len(self.hkl_list)\n # Make sure the code don't split into too many cycles\n if self.per_N < N_atom:\n self.per_N = N_atom\n\n coeffs = np.zeros([N_atom, 4, 2])\n zs = np.zeros([N_atom, 1], dtype=int)\n for i, elem in enumerate(crystal.get_chemical_symbols()):\n if elem == \"D\":\n elem = \"H\"\n coeffs[i, :, :] = ATOMIC_SCATTERING_PARAMS[elem]\n zs[i] = Element(elem).z\n\n # A heavy calculation, Partition it to prevent the memory issue\n #s2s = self.d_hkl**2 #(np.sin(self.theta) / self.wavelength) ** 2 # M\n s2s = 1 / (4 * self.d_hkl ** 2) # M\n hkl_per_proc = int(self.per_N / N_atom)\n N_cycle = int(np.ceil(N_hkls / hkl_per_proc))\n positions = crystal.get_scaled_positions()\n\n if self.ncpu == 1:\n N_cycles = range(N_cycle)\n Is = get_all_intensity(N_cycles, N_atom, self.per_N, positions, self.hkl_list, s2s, coeffs, zs)\n else:\n import multiprocessing as mp\n queue = mp.Queue()\n cycle_per_cpu = int(np.ceil(N_cycle / self.ncpu))\n processes = []\n for cpu in range(self.ncpu):\n N1 = cpu * cycle_per_cpu\n Start = N1 * hkl_per_proc\n if cpu + 1 == self.ncpu:\n N2 = N_cycle\n End = N_hkls\n else:\n N2 = (cpu + 1) * cycle_per_cpu\n End = N2 * hkl_per_proc\n\n cycles = range(N1, N2)\n\n p = mp.Process(\n target=get_all_intensity_par,\n args=(cpu, queue, cycles, Start, End,\n hkl_per_proc, positions,\n self.hkl_list[Start:End],\n s2s[Start:End],\n coeffs, zs))\n p.start()\n processes.append(p)\n\n unsorted_result = [queue.get() for p in processes]\n for p in processes:\n p.join()\n\n # collect results\n Is = np.zeros([N_hkls])\n for t in unsorted_result:\n Is[t[1] : t[2]] += t[3]\n\n # Lorentz polarization factor\n lfs = (1 + np.cos(2 * self.theta) ** 2) / (np.sin(self.theta) ** 2 * np.cos(self.theta))\n\n # Preferred orientation factor\n if self.preferred_orientation is not False:\n G = self.march_parameter\n pos = ((G * np.cos(self.theta)) ** 2 + 1 / G * np.sin(self.theta) ** 2) ** (-3 / 2)\n else:\n pos = np.ones(N_hkls)\n\n # Group the peaks by theta values\n _two_thetas = np.degrees(2 * self.theta)\n self.peaks = {}\n\n N = int((self.max2theta - self.min2theta) / self.res)\n if len(self.hkl_list) > N:\n skip_hkl = True\n refs = np.degrees(np.linspace(self.min2theta, self.max2theta, N + 1))\n dtol = np.degrees(self.res / 2)\n for ref_theta in refs:\n ids = np.where(np.abs(_two_thetas - ref_theta) < dtol)[0]\n if len(ids) > 0:\n intensity = np.sum(Is[ids] * lfs[ids] * pos[ids])\n self.peaks[ref_theta] = [\n intensity,\n self.hkl_list[ids],\n self.d_hkl[ids[0]],\n ]\n else:\n skip_hkl = False\n two_thetas = []\n for id in range(len(self.hkl_list)):\n hkl, d_hkl = self.hkl_list[id], self.d_hkl[id]\n # find where the scattered angles are equal\n ind = np.where(np.abs(np.subtract(two_thetas, _two_thetas[id])) < self.TWO_THETA_TOL)\n if len(ind[0]) > 0:\n # append intensity, hkl plane, and thetas to lists\n self.peaks[two_thetas[ind[0][0]]][0] += Is[id] * lfs[id] * pos[id]\n self.peaks[two_thetas[ind[0][0]]][1].append(tuple(hkl))\n else:\n self.peaks[_two_thetas[id]] = [\n Is[id] * lfs[id] * pos[id],\n [tuple(hkl)],\n d_hkl,\n ]\n two_thetas.append(_two_thetas[id])\n\n # obtain important intensities (defined by SCALED_INTENSITY_TOL)\n # and corresponding 2*theta, hkl plane + multiplicity, and d_hkl\n max_intensity = max([v[0] for v in self.peaks.values()])\n x = []\n y = []\n hkls = []\n d_hkls = []\n count = 0\n for k in sorted(self.peaks.keys()):\n count += 1\n v = self.peaks[k]\n #if skip_hkl:\n # fam = {}\n # fam[tuple(v[1][0])] = len(v[1])\n #else:\n fam = self.get_unique_families(v[1])#; print(v[1], fam)\n if v[0] / max_intensity * 100 > self.SCALED_INTENSITY_TOL:\n # print(k, v[0]/max_intensity)\n x.append(k)\n y.append(v[0])\n\n hkls.append([{\"hkl\": hkl, \"multiplicity\": mult} for hkl, mult in fam.items()])\n d_hkls.append(v[2])\n\n self.theta2 = x\n self.xrd_intensity = y\n self.hkl_labels = hkls\n self.d_hkls = d_hkls\n\n return skip_hkl\n\n def pxrdf(self):\n \"\"\"\n Group the equivalent hkl planes together by 2\\theta angle\n N*6 arrays, Angle, d_hkl, h, k, l, intensity\n \"\"\"\n rank = range(len(self.theta2)) # np.argsort(self.theta2)\n PL = []\n last = 0\n for i in rank:\n if self.xrd_intensity[i] > 0.01:\n angle = self.theta2[i]\n if abs(angle - last) < 1e-4:\n PL[-1][-1] += self.xrd_intensity[i]\n else:\n PL.append(\n [\n angle,\n self.d_hkls[i],\n self.hkl_labels[i][0][\"hkl\"][0],\n self.hkl_labels[i][0][\"hkl\"][1],\n self.hkl_labels[i][0][\"hkl\"][2],\n self.xrd_intensity[i],\n ]\n )\n last = angle\n\n PL = np.array(PL)\n PL[:, -1] = PL[:, -1] / max(PL[:, -1])\n self.pxrd = PL\n\n def get_unique_families(self, hkls, verbose=False):\n \"\"\"\n Returns unique families of Miller indices. Families must be permutations\n of each other.\n\n Args:\n hkls ([h, k, l]): List of Miller indices.\n verbose (bool): Whether or not to print out information on families.\n\n Returns:\n {hkl: multiplicity}: A dict with unique hkl and multiplicity.\n \"\"\"\n\n unique = collections.defaultdict(list)\n for hkl in hkls:\n hkl_tuple = tuple(hkl)\n key = tuple(sorted(abs(int(i)) for i in hkl_tuple))\n unique[key].append(hkl_tuple)\n\n pretty_unique = {}\n for v in unique.values():\n pretty_unique[sorted(v)[-1]] = len(v)\n\n return pretty_unique\n\n @staticmethod\n def draw_hkl(hkl):\n \"\"\"\n turn negative numbers in hkl to overbar\n \"\"\"\n\n hkl_str = []\n for i in hkl:\n if i < 0:\n label = str(int(-i))\n label = r\"$\\bar{\" + label + \"}$\"\n hkl_str.append(str(label))\n else:\n hkl_str.append(str(int(i)))\n\n return hkl_str\n\n def plot_pxrd(\n self,\n filename=None,\n profile=None,\n minimum_I=0.01,\n show_hkl=True,\n fontsize=None,\n figsize=(20, 10),\n res=0.02,\n fwhm=0.1,\n ax=None,\n xlim=None,\n width=1.0,\n legend=None,\n show=False,\n ):\n \"\"\"\n plot PXRD\n\n Args:\n filename (None): name of the xrd plot. If None, show the plot\n profile: type of peak profile\n minimum_I (0.01): the minimum intensity to include in the plot\n show_hkl (True): whether or not show hkl labels\n fontsize (None): fontsize of text in the plot\n figsize ((20, 10)): figsize\n xlim (None): the 2theta range [x_min, x_max]\n \"\"\"\n import matplotlib as mpl\n import matplotlib.pyplot as plt\n\n if fontsize is not None:\n mpl.rcParams.update({\"font.size\": fontsize})\n\n if xlim is None:\n x_min, x_max = 0, np.degrees(self.max2theta)\n else:\n x_min, x_max = xlim[0], xlim[1]\n\n if ax is None:\n fig, axes = plt.subplots(1, 1, figsize=figsize) # plt.figure(figsize=figsize)\n axes.set_title(\"PXRD of \" + self.name)\n else:\n axes = ax\n\n if profile is None:\n dx = x_max - x_min\n for i in self.pxrd:\n axes.bar(i[0], i[-1], color=\"b\", width=width * dx / 180)\n if i[-1] > minimum_I and x_min <= i[0] <= x_max and show_hkl:\n label = self.draw_hkl(i[2:5])\n axes.text(i[0] - dx / 40, i[-1], label[0] + label[1] + label[2])\n else:\n spectra = self.get_profile(method=profile, res=res, user_kwargs={\"FWHM\": fwhm})\n label = \"Profile: \" + profile if legend is None else legend\n axes.plot(spectra[0], spectra[1], label=label)\n axes.legend()\n\n axes.set_xlim([x_min, x_max])\n axes.set_xlabel(r\"2$\\Theta$ ($\\lambda$=\" + str(self.wavelength) + r\" $\\AA$)\")\n axes.set_ylabel(\"Intensity\")\n\n if ax is None:\n axes.grid()\n if filename is None:\n if show:\n fig.show()\n else:\n fig.savefig(filename)\n # fig.close()\n return fig, axes\n return None\n\n def plotly_pxrd(\n self,\n profile=\"gaussian\",\n minimum_I=0.01,\n res=0.02,\n FWHM=0.1,\n height=450,\n html=None,\n ):\n import plotly.graph_objects as go\n\n \"\"\"\n interactive plot for pxrd powered by plotly\n Args:\n xrd: xrd object\n html: html filename (str)\n \"\"\"\n\n x, y, labels = [], [], []\n for i in range(len(self.pxrd)):\n theta2, d, h, k, l, I = self.pxrd[i]\n h, k, l = int(h), int(k), int(l)\n if minimum_I < I:\n label = f\"
2θ: {theta2:6.2f}
d: {d:6.4f}
\"\n label += f\"I: {I:6.4f}
hkl: ({h:d}{k:d}{l:d})\"\n x.append(theta2)\n y.append(-0.1)\n labels.append(label)\n\n trace1 = go.Bar(\n x=x,\n y=y,\n text=labels,\n hovertemplate=\"%{text}\",\n width=0.5,\n name=\"hkl indices\",\n )\n if profile is None:\n fig = go.Figure(data=[trace1])\n else:\n spectra = self.get_profile(method=profile, res=res, user_kwargs={\"FWHM\": FWHM})\n trace2 = go.Scatter(x=spectra[0], y=spectra[1], name=\"Profile: \" + profile)\n fig = go.Figure(data=[trace2, trace1])\n\n fig.update_layout(\n height=height,\n xaxis_title=f\"2θ ({self.wavelength:.4f} Å)\",\n yaxis_title=\"Intensity\",\n title=\"PXRD of \" + self.name,\n )\n\n if os.environ.get(\"_\", \"\").find(\"jupyter\") == -1:\n if html is None:\n return fig.to_html()\n else:\n fig.write_html(html)\n return None\n else:\n print(\"This is running on Jupyter Notebook\")\n return fig\n\n def get_profile(self, method=\"gaussian\", res=0.01, user_kwargs=None):\n \"\"\"\n return the profile detail\n \"\"\"\n\n return Profile(method, res, user_kwargs).get_profile(\n self.theta2,\n self.xrd_intensity,\n np.degrees(self.min2theta),\n np.degrees(self.max2theta),\n )\n\n def get_plot(self, grainsize=20, orientation=0.1, thermo=0.1,\n L=500, H=50, S=25, bg_order=6, bg_ratio=0.05,\n mix_ratio=0.02, dx=0.02):\n \"\"\"\n Generate a simulated XRD plot with various parameters.\n Inspired from Pysimxrd at PyPI.\n Needs to double check the parameters.\n\n Args:\n grainsize (float): Grain size in micrometers.\n orientation (float): Preferred orientation factor.\n thermo (float): Thermal vibration factor.\n L (float): Axial divergence length.\n H (float): Axial divergence height.\n S (float): Slit width.\n bg_order (int): Order of the polynomial background.\n bg_ratio (float): Ratio of background intensity.\n mix_ratio (float): Ratio of random noise intensity.\n dx (float): Step size for the simulated XRD.\n\n Returns:\n tuple: Simulated 2-theta values and corresponding intensities.\n \"\"\"\n\n # Marked locations and intensities\n x, y = self.pxrd[:, 0], self.pxrd[:, -1] * 100\n thetas = np.radians(x/2)\n\n # Calculate FWHM using Scherrer equation\n # Standard Scherrer: FWHM_L = K*λ/(L*cosθ) where K≈0.9\n # For Lorentzian HWHM: γ = FWHM/2\n K = 0.9 # Scherrer constant (shape factor)\n fwhm = K * self.wavelength / (grainsize * np.cos(thetas) + 1e-10) # FWHM in radians\n gamma = fwhm / 2 # Lorentzian HWHM\n\n # Convert HWHM to Gaussian variance for Voigt profile\n # For pure Gaussian: HWHM = sqrt(2*ln2) * σ\n # Therefore: σ² = HWHM² / (2*ln2)\n sigma2 = gamma ** 2 / (2 * np.log(2)) # Gaussian variance\n\n # Apply preferred orientation and Debye-Waller factor\n ori_m, ori_p = 1 - orientation, 1 + orientation\n ori = np.clip(np.random.normal(loc=1, scale=0.2), ori_m, ori_p)\n\n # Apply Debye-Waller factor\n deb = np.exp(-16/3 * np.pi**2 * thermo**2 * (np.sin(thetas) / self.wavelength)**2)\n y *= ori * deb\n #print(x, y, gamma, sigma2)\n\n # Get profiles\n theta_min, theta_max = np.degrees(self.min2theta), min(90.0, np.degrees(self.max2theta))\n x_sim = np.arange(theta_min, theta_max, dx)\n y_sim = np.zeros_like(x_sim)\n\n # Add each peak contribution\n for k in range(len(x)):\n if x[k] < theta_max:\n #print(\"Adding peak at 2theta =\", x[k])\n y_sim += add_peak(x_sim, x[k], gamma[k], sigma2[k], L, H, S, dx) * y[k]\n\n # Add each peak contribution\n area = np.trapz(y_sim, x_sim)\n y_sim /= area#; print(area, y_sim.max())\n\n # Add background\n bg_coeffs = np.abs(np.random.randn(bg_order + 1))\n bg_coeffs[0] = -bg_coeffs[0] # Ensure decreasing trend\n bg_fun = np.poly1d(bg_coeffs)\n #bg_fun = np.poly1d(np.random.randn(bg_order + 1))\n bg = bg_fun(x_sim)\n bg -= bg.min()\n bg_y = bg / bg.max() * y_sim.max() * bg_ratio\n mixture = np.random.uniform(0, y_sim.max() * mix_ratio, size=len(x_sim))\n y_sim += bg_y + mixture\n\n # Scale to (0, 100)\n y_min, y_max = y_sim.min(), y_sim.max()\n if y_max > y_min: # Avoid division by zero\n y_sim = (y_sim - y_min) / (y_max - y_min) * 100\n else:\n y_sim = np.zeros_like(y_sim)\n #import matplotlib.pyplot as plt\n #plt.plot(x_sim, y_sim)\n #plt.show()\n return x_sim, y_sim\n\ndef add_peak(twotheta, mu, gamma, sigma2, L, H, S, step=0.02, width=0.1, sigma2_distor=0.001):\n \"\"\"\n Add a single peak to the XRD pattern using Voigt profile,\n axial divergence, slit function, and lattice distortion.\n\n Args:\n twotheta (array-like): Array of 2-theta\n mu (float): Peak center (2-theta) in degrees.\n gamma (float): Lorentzian HWHM parameter.\n sigma2 (float): Gaussian variance parameter.\n L (float): Axial divergence length.\n H (float): Axial divergence height.\n S (float): Slit half-width.\n step (float): Step size for the 2-theta array.\n width (float): Width of the slit function in degrees.\n sigma2_distor (float): Variance for lattice distortion Gaussian.\n\n Returns:\n ndarray: Array of same shape as twotheta with the peak intensity.\n \"\"\"\n # Determine l_gap based on mu value\n if mu <= 10:\n l_gap = 7.8\n elif 10 < mu <= 15:\n l_gap = 10\n elif 15 < mu <= 20:\n l_gap = 15\n elif 20 < mu <= 30:\n l_gap = 20\n else:\n l_gap = 30\n\n # Ensure mu-l_gap and mu+l_gap are recorded in twotheta or its extension\n x = np.arange(np.round(mu - l_gap, 2), np.round(mu + l_gap, 2), step)\n\n # Voigt profile calculation\n sigma = np.sqrt(sigma2)\n z = ((x - mu) + 1j * gamma) / (sigma * np.sqrt(2))\n voigt = np.real(wofz(z) / (sigma * np.sqrt(2 * np.pi)))\n\n # Axial divergence calculation\n axial = axial_div(x, mu, L, H, S)\n\n # Slit function calculation\n height = 1.0 / width\n slit = np.where((x >= mu - width / 2) & (x <= mu + width / 2), height, 0)\n\n #slit = np.zeros_like(x)\n #mask = np.abs(x - mu) <= width / 2\n #slit[mask] = 1.0 / width # Normalized rectangular function\n\n # Lattice distortion calculation\n sigma = np.sqrt(sigma2_distor)\n distor = (1 / (sigma * np.sqrt(2 * np.pi))) * np.exp(-0.5 * ((x - mu) / sigma)**2)\n\n # Convolve the peaks\n combined = np.convolve(voigt, axial, mode='same')\n combined = np.convolve(combined, slit, mode='same')\n combined = np.convolve(combined, distor, mode='same')\n if np.sum(combined) > 0:\n combined /= np.sum(combined) * step # Normalize peak and apply weight\n return map_intensity(combined, x, twotheta)\n else:\n return np.zeros_like(twotheta)\n\ndef axial_div_bak(x, mu, L, H, S):\n \"\"\"\n Calculate the axial divergence peak contribution using the Van Laar model.\n\n Args:\n x (array-like): Array of 2-theta values in degrees.\n mu (float): Peak center (2-theta) in degrees.\n L (float): Axial divergence length (same units as H and S).\n H (float): Axial divergence height.\n S (float): Slit half-width (same units as H).\n\n Returns:\n ndarray: Array of same shape as x with the axial divergence shape (unnormalized).\n \"\"\"\n axial_divergence = np.zeros_like(x) # Initialize axial_divergence to zeros\n valid_indices = x <= mu # Identify valid indices where x <= mu\n x_valid = np.radians(x[valid_indices]) # Get valid x values\n\n h = L * np.sqrt((np.cos(x_valid) / np.cos(np.radians(mu)))**2 - 1) + 1e-10 # Calculate h\n W = np.where((H - S <= h) & (h <= H + S), H + S - h, 0) # Calculate W for valid h\n axial_divergence[valid_indices] = L / (2 * H * S * h * np.cos(x_valid)) * W\n #print('debug axial_div', mu, x_valid[-1], axial_divergence[valid_indices].max())\n axial_divergence /= (axial_divergence.max() + 1e-10)# in case numerical err\n cdf = np.zeros_like(x)\n mask = x < mu\n cdf[mask] = np.cumsum(axial_divergence[mask])\n return cdf\n\ndef axial_div(x, mu, L, H, S):\n \"\"\"\n Van Laar axial divergence PDF (not CDF!)\n \"\"\"\n x = np.asarray(x)\n f = np.zeros_like(x)\n\n mask = x < mu\n if not np.any(mask):\n return f\n\n x_m = np.radians(x[mask])\n mu_r = np.radians(mu)\n cos_mu = np.cos(mu_r)\n cos_x = np.cos(x_m)\n\n # Calculate h parameter with clipping to avoid negative square root\n cos_ratio_sq = (cos_x / cos_mu) ** 2\n h = L * np.sqrt(np.clip(cos_ratio_sq - 1, 0, None))\n\n # Window function: non-zero only when H - S <= h <= H + S\n W = np.clip(H + S - h, 0.0, 2 * S)\n\n # Van Laar axial divergence formula\n # Avoid division by zero\n denom = 2 * H * S * np.clip(h, 1e-10, None) * np.clip(cos_x, 1e-10, None)\n f[mask] = L * W / denom\n\n # Remove numerical noise and ensure non-negative\n f[~np.isfinite(f)] = 0.0\n f[f < 0] = 0.0\n\n # Normalize to unit area\n # Integrate only the non-zero part\n x_nonzero = x[mask]\n f_nonzero = f[mask]\n if len(x_nonzero) > 1 and np.sum(f_nonzero) > 0:\n area = np.trapz(f_nonzero, x_nonzero)\n if area > 0:\n f[mask] /= area\n return f\n\ndef map_intensity(peak, x, twotheta):\n \"\"\"\n Map peak intensities from fine grid (x) to coarse grid (twotheta).\n Uses cubic spline interpolation to produce continuous, smooth profiles.\n\n Args:\n peak (array-like): Peak intensities on fine grid x.\n x (array-like): Fine grid positions (degrees).\n twotheta (array-like): Coarse grid positions (degrees).\n\n Returns:\n ndarray: Interpolated intensities on twotheta grid.\n \"\"\"\n # Handle edge cases\n if len(peak) == 0 or len(x) == 0:\n return np.zeros_like(twotheta)\n\n # Check if x is monotonically increasing\n if not np.all(np.diff(x) > 0):\n # Sort by x if not already sorted\n sort_idx = np.argsort(x)\n x = x[sort_idx]\n peak = peak[sort_idx]\n\n # Use cubic spline interpolation for smooth results\n kind = 'linear' if len(x) < 4 else 'cubic'\n\n try:\n f_interp = interp1d(x, peak, kind=kind, bounds_error=False,\n fill_value=0.0, assume_sorted=True)\n y_twotheta = f_interp(twotheta)\n # Ensure non-negative intensities\n y_twotheta[y_twotheta < 0] = 0.0\n return y_twotheta\n except (ValueError, RuntimeError) as e:\n print(f\"Interpolation failed: {e}. Falling back to nearest-neighbor.\")\n return _map_int_nearest_neighbor(peak, x, twotheta)\n\n\ndef _map_int_nearest_neighbor(peak, x, twotheta):\n \"\"\"\n Fallback nearest-neighbor mapping when interpolation fails.\n\n Args:\n peak (array-like): Peak intensities on fine grid.\n x (array-like): Fine grid positions.\n twotheta (array-like): Coarse grid positions.\n\n Returns:\n ndarray: Nearest-neighbor intensities.\n \"\"\"\n y_twotheta = np.zeros_like(twotheta, dtype=float)\n\n for x_val, peak_val in zip(x, peak):\n idx = np.argmin(np.abs(twotheta - x_val))\n if y_twotheta[idx] == 0: # Only assign if not already set\n y_twotheta[idx] = peak_val\n else:\n y_twotheta[idx] += peak_val * 0.5 # Average with existing value\n\n return y_twotheta\n\n# ----------------------------- Profile functions ------------------------------\nclass Profile:\n \"\"\"\n This class applies a profiling function to simulated or\n experimentally obtained XRD spectra.\n\n Args:\n method (str): Type of function used to profile\n res (float): resolution of the profiling array in degree\n user_kwargs (dict): The parameters for the profiling method.\n \"\"\"\n\n def __init__(self, method=\"mod_pseudo-voigt\", res=0.02, user_kwargs=None):\n self.method = method\n self.user_kwargs = user_kwargs\n self.res = res\n kwargs = {}\n\n if method == \"mod_pseudo-voigt\":\n _kwargs = {\n \"U\": 5.776410e-03,\n \"V\": -1.673830e-03,\n \"W\": 5.668770e-03,\n \"A\": 1.03944,\n \"eta_h\": 0.504656,\n \"eta_l\": 0.611844,\n }\n elif method in [\"gaussian\", \"lorentzian\", \"pseudo-voigt\"]:\n _kwargs = {\"FWHM\": 0.1}\n\n else:\n msg = method + \" isn't supported.\"\n raise NotImplementedError(msg)\n\n kwargs.update(_kwargs)\n\n if user_kwargs is not None:\n kwargs.update(user_kwargs)\n\n self.kwargs = kwargs\n\n def get_profile(self, two_thetas, intensities, min2theta, max2theta):\n \"\"\"\n Performs profiling with selected function, resolution, and parameters\n\n Args:\n - two_thetas: 1d float array simulated/measured 2 theta values\n - intensities: simulated/measures peaks\n \"\"\"\n N = int((max2theta - min2theta) / self.res)\n px = np.linspace(min2theta, max2theta, N)\n py = np.zeros(N)\n for two_theta, intensity in zip(two_thetas, intensities):\n # print(two_theta, intensity)\n if self.method == \"gaussian\":\n fwhm = self.kwargs[\"FWHM\"]\n bin_edges = np.concatenate([px - self.res/2, [px[-1] + self.res/2]])\n tmp = np.zeros_like(px)\n for i in range(len(px)):\n left, right = bin_edges[i], bin_edges[i+1]\n tmp[i] = gaussian_integrated(left, right, two_theta, fwhm)\n #dtheta2 = ((px - two_theta) / fwhm) ** 2\n #tmp = np.exp(-4 * np.log(2) * dtheta2)\n # tmp = gaussian(two_theta, px, fwhm)\n\n elif self.method == \"lorentzian\":\n fwhm = self.kwargs[\"FWHM\"]\n tmp = lorentzian(two_theta, px, fwhm)\n\n elif self.method == \"pseudo-voigt\":\n try:\n fwhm_g = self.kwargs[\"FWHM-G\"]\n fwhm_l = self.kwargs[\"FWHM-L\"]\n except:\n fwhm_g = self.kwargs[\"FWHM\"]\n fwhm_l = self.kwargs[\"FWHM\"]\n\n fwhm = (\n fwhm_g**5\n + 2.69269 * fwhm_g**4 * fwhm_l\n + 2.42843 * fwhm_g**3 * fwhm_l**2\n + 4.47163 * fwhm_g**2 * fwhm_l**3\n + 0.07842 * fwhm_g * fwhm_l**4\n + fwhm_l**5\n ) ** (1 / 5)\n eta = 1.36603 * fwhm_l / fwhm - 0.47719 * (fwhm_l / fwhm) ** 2 + 0.11116 * (fwhm_l / fwhm) ** 3\n tmp = pseudo_voigt(two_theta, px, fwhm, eta)\n\n elif self.method == \"mod_pseudo-voigt\":\n U = self.kwargs[\"U\"]\n V = self.kwargs[\"V\"]\n W = self.kwargs[\"W\"]\n A = self.kwargs[\"A\"]\n eta_h = self.kwargs[\"eta_h\"]\n eta_l = self.kwargs[\"eta_l\"]\n\n fwhm = np.sqrt(\n U * np.tan(np.pi * two_theta / 2 / 180) ** 2 + V * np.tan(np.pi * two_theta / 2 / 180) + W\n )\n x = px - two_theta\n tmp = mod_pseudo_voigt(x, fwhm, A, eta_h, eta_l, N)\n\n py += intensity * tmp\n # print(intensity * tmp)\n\n py /= np.max(py)\n\n self.spectra = np.vstack((px, py))\n return self.spectra\n\n\n# ------------------------------ Similarity between two XRDs ---------------------------------\nclass Similarity:\n def __init__(self, f, g, N=None, x_range=None, l=2.0, weight=\"cosine\"):\n \"\"\"\n Class to compute the similarity between two diffraction patterns\n Args:\n\n f: spectra1 (2D array)\n g: spectra2 (2D array)\n N: number of sampling points for the processed spectra\n x_range: the range of x values used to compute similarity ([x_min, x_max])\n l: cutoff value for shift (real)\n weight: weight function 'triangle' or 'cosine' (str)\n \"\"\"\n\n fx, fy = f[0], f[1]\n gx, gy = g[0], g[1]\n self.l = abs(l)\n res1 = (fx[-1] - fx[0]) / len(fx)\n res2 = (gx[-1] - gx[0]) / len(gx)\n self.resolution = min([res1, res2]) / 3 # improve the resolution\n\n if N is None:\n self.N = int(2 * self.l / self.resolution)\n else:\n self.N = N\n self.r = np.linspace(-self.l, self.l, self.N)\n\n if x_range is None:\n x_min = max(np.min(fx), np.min(gx))\n x_max = min(np.max(fx), np.max(gx))\n else:\n x_min, x_max = x_range[0], x_range[1]\n\n self.x_range = [x_min, x_max]\n\n f_inter = interp1d(fx, fy, \"cubic\", fill_value=\"extrapolate\")\n g_inter = interp1d(gx, gy, \"cubic\", fill_value=\"extrapolate\")\n\n fgx_new = np.linspace(x_min, x_max, int((x_max - x_min) / self.resolution) + 1)\n fy_new = f_inter(fgx_new)\n gy_new = g_inter(fgx_new)\n\n self.fx, self.gx, self.fy, self.gy = fgx_new, fgx_new, fy_new, gy_new\n self.weight = weight\n if self.weight == \"triangle\":\n w = self.triangleFunction()\n elif self.weight == \"cosine\":\n w = self.cosineFunction()\n else:\n msg = self.weight + \"is not supported\"\n raise NotImplementedError(msg)\n\n Npts = len(self.fx)\n d = self.fx[1] - self.fx[0]\n\n self.value = similarity_calculate(self.r, w, d, Npts, self.fy, self.gy)\n\n def __str__(self):\n return f\"The similarity between two PXRDs is {self.value:.4f}\"\n\n def __repr__(self):\n return str(self)\n\n def triangleFunction(self):\n \"\"\"\n Triangle function to weight correlations\n \"\"\"\n w = 1 - np.abs(self.r / self.l)\n ids = np.abs(self.r) > self.l\n w[ids] = 0\n\n return w\n\n def cosineFunction(self):\n \"\"\"\n cosine function to weight correlations\n \"\"\"\n\n w = 0.5 * (np.cos(np.pi * self.r / self.l) + 1.0)\n ids = np.abs(self.r) > self.l\n w[ids] = 0\n\n return w\n\n def show(self, filename=None, fontsize=None, labels=None):\n \"\"\"\n show the comparison plot\n\n Args:\n filename (None): name of the xrd plot. If None, show the plot\n labels [A, B]: labels of each plot\n \"\"\"\n import matplotlib as mpl\n import matplotlib.pyplot as plt\n\n if labels is None:\n labels = [\"profile 1\", \"profile 2\"]\n if fontsize is not None:\n mpl.rcParams.update({\"font.size\": fontsize})\n\n fig1 = plt.figure(1, figsize=(15, 6))\n fig1.add_axes((0.1, 0.3, 0.8, 0.6))\n\n plt.plot(self.fx, self.fy, label=labels[0])\n plt.plot(self.fx, -self.gy, label=labels[1])\n plt.legend()\n\n # Residual plot\n residuals = self.gy - self.fy\n fig1.add_axes((0.1, 0.1, 0.8, 0.2))\n plt.plot(self.gx, residuals, \".r\", markersize=0.5)\n plt.title(f\"{self.value:6f}\")\n\n if filename is None:\n plt.show()\n else:\n plt.savefig(filename)\n plt.close()\n\n\ndef mod_pseudo_voigt(x, fwhm, A, eta_h, eta_l, N):\n \"\"\"\n A modified split-type pseudo-Voigt function for profiling peaks\n - Izumi, F., & Ikeda, T. (2000).\n \"\"\"\n\n tmp = np.zeros(N)\n for xi, dx in enumerate(x):\n if dx < 0:\n A = A\n eta_l = eta_l\n eta_h = eta_h\n else:\n A = 1 / A\n eta_l = eta_h\n eta_h = eta_l\n\n tmp[xi] = (\n ((1 + A) * (eta_h + np.sqrt(np.pi * np.log(2)) * (1 - eta_h)))\n / (\n eta_l\n + np.sqrt(np.pi * np.log(2)) * (1 - eta_l)\n + A * (eta_h + np.sqrt(np.pi * np.log(2)) * (1 - eta_h))\n )\n * (\n eta_l * 2 / (np.pi * fwhm) * (1 + ((1 + A) / A) ** 2 * (dx / fwhm) ** 2) ** (-1)\n + (1 - eta_l)\n * np.sqrt(np.log(2) / np.pi)\n * 2\n / fwhm\n * np.exp(-np.log(2) * ((1 + A) / A) ** 2 * (dx / fwhm) ** 2)\n )\n )\n return tmp\n\n\ndef gaussian(theta2, alpha, fwhm):\n \"\"\"\n Gaussian function for profiling peaks\n \"\"\"\n\n tmp = ((alpha - theta2) / fwhm) ** 2\n return np.exp(-4 * np.log(2) * tmp)\n\n\ndef lorentzian(theta2, alpha, fwhm):\n \"\"\"\n Lorentzian function for profiling peaks\n \"\"\"\n\n tmp = 1 + 4 * ((alpha - theta2) / fwhm) ** 2\n return 1 / tmp\n\n\ndef pseudo_voigt(theta2, alpha, fwhm, eta):\n \"\"\"\n Original Pseudo-Voigt function for profiling peaks\n - Thompson, D. E. Cox & J. B. Hastings (1986).\n \"\"\"\n\n L = lorentzian(theta2, alpha, fwhm)\n G = gaussian(theta2, alpha, fwhm)\n return eta * L + (1 - eta) * G\n\n\ndef similarity_calculate(r, w, d, Npts, fy, gy):\n \"\"\"\n Compute the similarity between the pair of spectra f, g\n \"\"\"\n\n xCorrfg_w, aCorrff_w, aCorrgg_w = 0, 0, 0\n for r0, w0 in zip(r, w):\n Corrfg, Corrff, Corrgg = 0, 0, 0\n shift = int(r0 / d)\n for i in range(Npts):\n if 0 <= i + shift <= Npts - 1:\n Corrfg += fy[i] * gy[i + shift] * d\n Corrff += fy[i] * fy[i + shift] * d\n Corrgg += gy[i] * gy[i + shift] * d\n\n xCorrfg_w += w0 * Corrfg * d\n aCorrff_w += w0 * Corrff * d\n aCorrgg_w += w0 * Corrgg * d\n\n return np.abs(xCorrfg_w / np.sqrt(aCorrff_w * aCorrgg_w))\n\n\ndef create_index(imax=1, jmax=1, kmax=1):\n \"\"\"\n shortcut to get the index\n \"\"\"\n hkl_index = []\n for i in range(-imax, imax + 1):\n for j in range(-jmax, jmax + 1):\n for k in range(-kmax, kmax + 1):\n hkl = np.array([i, j, k])\n if sum(hkl * hkl) > 0:\n hkl_index.append(hkl)\n return np.array(hkl_index).reshape([len(hkl_index), 3])\n\n\ndef get_intensity(positions, hkl, s2, coeffs, z):\n \"\"\"\n Calculate the intensity for a given set of positions, hkl, s2, coefficients, and atomic numbers.\n Args:\n positions (np.ndarray): N*3 array of atomic positions in fractional coordinates.\n hkl (np.ndarray): 3*M array of Miller indices.\n s2 (np.ndarray): M array of sin^2(theta) values.\n coeffs (np.ndarray): N*4*2 array of coefficients for each atom.\n z (np.ndarray): N*1 array of atomic numbers.\n\n Returns:\n np.ndarray: M array of calculated intensities.\n \"\"\"\n #N = len(positions); positions = np.random.rand(N, 3) #-= np.round(positions) # ensure within [0,1)\n g_dot_rs = np.dot(positions, hkl) # N*3 dot 3*M -> N*M\n exps = np.exp(-2j * np.pi * g_dot_rs) # N*M\n #print(exps[0]); import sys; sys.exit()\n tmp1 = np.exp(np.einsum(\"ij,k->ijk\", -coeffs[:, :, 1], s2)) # N*4, M\n tmp2 = np.einsum(\"ij,ijk->ik\", coeffs[:, :, 0], tmp1) # N*4, N*M\n sfs = np.add(-41.78214 * np.einsum(\"ij,j->ij\", tmp2, s2), z) # N*M, M -> N*M\n fs = np.sum(sfs * exps, axis=0) # M\n\n # Final intensity values, M\n #for i, f in enumerate(fs):\n # if f.real > 0.1 and s2[i] < 0.05:\n # print(\"hkl\", hkl[:, i], s2[i], '|F|', f)\n\n return (fs * fs.conjugate()).real\n\n\ndef get_all_intensity(N_cycles, N_atom, per_N, positions, hkls, s2s, coeffs, zs):\n Is = np.zeros(len(hkls))\n for i, cycle in enumerate(N_cycles):\n N1 = int(per_N * (cycle) / N_atom)\n if i + 1 == len(N_cycles):\n N2 = min([len(hkls), int(per_N * (cycle + 1) / N_atom)])\n else:\n N2 = int(per_N * (cycle + 1) / N_atom)\n hkl, s2 = hkls[N1:N2].T, s2s[N1:N2]\n Is[N1:N2] = get_intensity(positions, hkl, s2, coeffs, zs)\n return Is\n\n\ndef get_all_intensity_par(cpu, queue, cycles, Start, End, hkl_per_proc, positions, hkls, s2s, coeffs, zs):\n Is = np.zeros(End - Start)\n for i, cycle in enumerate(cycles):\n N1 = cycle * hkl_per_proc - Start\n N2 = End - Start if i + 1 == len(cycles) else N1 + hkl_per_proc\n hkl, s2 = hkls[N1:N2].T, s2s[N1:N2]\n Is[N1:N2] = get_intensity(positions, hkl, s2, coeffs, zs)\n # print('run', cpu, N1+Start, N2+Start, N1, N2)\n queue.put((cpu, Start, End, Is))\n\n\ndef gaussian_integrated(bin_left, bin_right, center, fwhm):\n sigma = fwhm / (2 * np.sqrt(2 * np.log(2)))\n # Integrate the normalized Gaussian over [bin_left, bin_right]\n return 0.5 * (erf((bin_right - center) / (np.sqrt(2) * sigma)) -\n erf((bin_left - center) / (np.sqrt(2) * sigma)))\n\ndef pxrd_refine(xtal, ref_pxrd, thetas, steps=50):\n \"\"\"\n Improve the lattice w.r.t the reference PXRD\n\n Args:\n xtal: pyxtal object\n ref_pxrd: tuple of (thetas, intensities) for the reference PXRD\n thetas: list of angles to calculate the PXRD\n steps (int): number of steps for optimization\n\n Returns:\n xtal: refined pyxtal object\n x: parameters used for optimization\n sim: similarity value between the refined PXRD and the reference PXRD\n \"\"\"\n from scipy.optimize import minimize\n\n def fun(x0, rep, ref_pxrd, thetas):\n rep.x[0][1:] = x0\n s = rep.to_pyxtal()\n xrd = s.get_XRD(thetas=thetas)\n pxrd = xrd.get_profile(res=0.15, user_kwargs={\"FWHM\": 0.25})\n sim = Similarity(ref_pxrd, pxrd, x_range=thetas).value\n return -sim\n\n rep = xtal.get_1D_representation()\n x0 = rep.x[0][1:]\n f0 = fun(x0, rep, ref_pxrd, thetas)\n if f0 < -0.8:\n res = minimize(fun, x0,\n args=(rep, ref_pxrd, thetas),\n method=\"Nelder-Mead\",\n options={\"maxiter\": steps})\n rep.x[0][1:] = res.x\n xtal = rep.to_pyxtal()\n return xtal, -res.fun\n else:\n #print(\"The initial PXRD is unlikely to match the reference PXRD well.\")\n return xtal, -f0\n\n\ndef check_pxrd_match(xtal, ref_pxrd, s_tol=0.8, top_n=3, peak_tol=0.1, ang_tol=1.0,\n wave_length=1.5406, verbose=False):\n \"\"\"\n Check if there is a false match between the pyxtal structure and the reference PXRD.\n First, check the similarity between the two PXRDs. If the similarity is above s_tol,\n Second, for each of the top_n strongest peaks in the computed PXRD, check if the related\n peaks (within peak_tol) are present in the reference PXRD within a tolerance.\n\n Args:\n xtal: pyxtal object\n ref_pxrd: a 2D array of (thetas, intensities) for the reference PXRD\n s_tol: similarity tolerance, default is 0.8\n top_n: number of strongest peaks to consider, default is 3\n peak_tol: tolerance for peaks to be considered for a comparison, default is 0.05\n ang_tol: tolerance for matching peaks in degrees, default is 1.0\n wave_length: X-ray wavelength, default is Cu K-alpha\n verbose: whether or not print the information\n\n Returns:\n bool: True if there is a false match, False otherwise\n \"\"\"\n xrd = xtal.get_XRD(thetas=[ref_pxrd[0][0], ref_pxrd[0][-1]], wavelength=wave_length)\n pxrd = xrd.get_profile(res=0.15, user_kwargs={\"FWHM\": 0.25})\n sim = Similarity(ref_pxrd, pxrd, x_range=[ref_pxrd[0][0], ref_pxrd[0][-1]]).value\n if verbose:\n print(f\"Similarity between computed PXRD and reference PXRD: {sim:.4f}\")\n print(xrd)\n if sim > s_tol:\n # get the strongest peaks from the computed PXRD from xtal\n peaks = xrd.pxrd[:, -1] # intensity\n hkls = xrd.pxrd[:, 2:5] # hkl\n thetas = xrd.pxrd[:, 0] # 2theta\n sorted_indices = np.argsort(peaks)[::-1]\n sorted_hkls = hkls[sorted_indices]\n sorted_peaks = peaks[sorted_indices]\n sorted_thetas = thetas[sorted_indices]\n for i in range(top_n):\n hkl = sorted_hkls[i]\n # get the hkls that are related to the current hkl\n for j, h in enumerate(hkls):\n if is_multiple(h, hkl) and not np.all(h == hkl):\n theta = sorted_thetas[j]\n peak = sorted_peaks[j]\n if peak > peak_tol:\n if verbose:\n print(f\"Checking {h}/{hkl} in top {i+1} peak => {peak:.2f} at {theta:.2f}\")\n # check if there is a peak in the reference PXRD within ang_tol and peak_tol\n close_peaks = ref_pxrd[0][(ref_pxrd[0] >= theta - ang_tol) & (ref_pxrd[0] <= theta + ang_tol)]\n close_peaks = close_peaks[np.abs(close_peaks - theta) <= peak_tol]\n if len(close_peaks) == 0:\n if verbose:\n print(f\"False match at hkl {hkl}/{h} at {theta:.2f} not in ref. PXRD\")\n return 0\n return sim\n else:\n return sim # Similarity too low to consider\n\ndef is_multiple(hkl, ref_hkl):\n # Avoid division by zero and require ref_hkl is not (0,0,0)\n if np.all(ref_hkl == 0):\n return False\n # Find the scaling factor for each component, ignore zeros in ref_hkl\n factors = []\n for h, r in zip(hkl, ref_hkl):\n if r == 0:\n if h != 0:\n return False\n else:\n factors.append(h / r)\n # All nonzero factors must be equal and positive integer\n if len(factors) == 0:\n return False\n first = factors[0]\n if not np.allclose(factors, first):\n return False\n # Check if the factor is a positive integer\n return first > 0 and np.isclose(first, int(round(first)))\n\ndef get_para_from_pxrd(ref_pxd, spg, wave_length=1.5406):\n \"\"\"\n Estimate the lattice parameters from the reference PXRD using Bragg's law and cubic assumption.\n\n Args:\n ref_pxd: tuple of (thetas, intensities) for the reference PXRD\n spg: space group number\n wave_length: X-ray wavelength, default is Cu K-alpha\n\n Returns:\n a: estimated lattice parameter\n \"\"\"\n # Get the first peak position\n #thetas, intensities = ref_pxd\n #peak_index = np.argmax(intensities)\n #theta = thetas[peak_index] / 2 # Convert 2theta to theta\n #a = wave_length / (2 * np.sin(np.radians(theta))) # Bragg's law\n #if spg > 194:\n # if spg in [196, 202, 203, 209, 210, 216, 219, 225, 226, 227, 228]: # F-cubic 111\n # a /= np.sqrt(3)\n # elif spg in [195, 198, 199, 200, 201, 205, 206, 207, 208, 211, 212, 213, 214, 215]: # I-cubic 200\n # a /= np.sqrt(2)\n # cell = [a, a, a, 90, 90, 90]\n #elif 143 <= spg <= 194: # (001) or (100)\n # cell = [[a, a, a, 90, 90, 120], []]\n #elif 75 <= spg <= 142:\n # if P: # (100) or (001)\n # elif I: # (101) or (110)\n # a /= np.sqrt(2)\n #elif 16 <= spg <= 74: # (100) or (001)\n # if P: #(100), (010), (001)\n # elif I: (101) or (110)\n # elif C/F/I: (001)/(020)/(101) ???\n #elif 3 <= spg <= 15: # (001) or (100)\n # if P: #(100), (010), (001)\n # elif A/B/C: (001)/(010)/(100)\n #else: # (001), (100), (010)\n # cell = [a, a, 10, 90, 90, 90]\n #return cell\n pass\n\nif __name__ == \"__main__\":\n from optparse import OptionParser\n from matplotlib import pyplot as plt\n from pyxtal import pyxtal\n from pyxtal.util import parse_cif\n from pymatgen.core import Structure\n\n parser = OptionParser()\n parser.add_option(\"-f\", dest=\"cif\", help=\"cif file name\")\n parser.add_option(\"-r\", dest=\"ref\", help=\"ref pxrd file\", default=\"ref_pxrd.txt\")\n parser.add_option(\"-s\", dest=\"step\", type=int, default=30, help=\"steps, optional\")\n parser.add_option(\"-o\", dest=\"out\", default=\"PXRD-Matched.cif\", help=\"output\")\n parser.add_option(\"--smin1\", dest=\"smin1\", type=float, default=0.85,\n help=\"minimum similarity to refine PXRD, default 0.85\")\n parser.add_option(\"--smin2\", dest=\"smin2\", type=float, default=0.92,\n help=\"minimum similarity to refine PXRD, default 0.92\")\n parser.add_option(\"--thetas\", dest=\"thetas\", type=float, nargs=2, default=[5, 35],\n help=\"thetas for PXRD calculation, default [5, 35]\")\n\n (options, args) = parser.parse_args()\n thetas = options.thetas\n if options.ref is None:\n raise ValueError(\"Please provide a reference PXRD file using -r option.\")\n if not os.path.exists(options.ref):\n raise FileNotFoundError(f\"Reference PXRD '{options.ref}' does not exist.\")\n\n smiles = None\n with open(options.cif) as f:\n lines = f.readlines()\n for l in lines:\n if 'smile' in l:\n smile_str = l.split(':')[1].strip()\n smiles = [s + '.smi' for s in smile_str.split('.')]\n break\n if smiles is None:\n raise ValueError(\"No smiles found in the CIF file. Please check the CIF format.\")\n else:\n print(\"Smiles found:\", smiles)\n with open(options.out, 'w') as f: f.write(f'smiles: {smile_str}\\n')\n\n if options.ref.endswith(\".cif\"):\n s = pyxtal(molecular=True)\n s.from_seed(options.ref, molecules=smiles)\n ref_pxrd =s.get_XRD(thetas=thetas).get_profile(res=0.15, user_kwargs={\"FWHM\": 0.25})\n else:\n data = np.loadtxt(options.ref, skiprows=1) # Load the reference PXRD data\n data[:, 1] /= np.max(data[:, 1]) # Normalize the intensity\n ref_pxrd = (data[:, 0], data[:, 1])\n\n #cifs, engs = parse_cif(options.cif)#, eng=True)\n cifs = parse_cif(options.cif)#, eng=True)\n pxrds = []\n s = pyxtal(molecular=True)\n for i, cif in enumerate(cifs):\n try:\n pmg = Structure.from_str(cif, fmt=\"cif\")\n s.from_seed(pmg, molecules=smiles)\n except:\n print(f\"Failed to parse CIF {i}. Skipping...\")\n continue\n pxrd1 = s.get_XRD(thetas=thetas).get_profile(res=0.15, user_kwargs={\"FWHM\": 0.25})\n s1, val1 = pxrd_refine(s, ref_pxrd, thetas, steps=0)\n print(i, s1.lattice, val1)\n\n if val1 > options.smin1:\n s2, val2 = pxrd_refine(s1, ref_pxrd, thetas, steps=options.step)\n pxrd2 = s2.get_XRD(thetas=thetas).get_profile(res=0.15, user_kwargs={\"FWHM\": 0.25})\n print(i, s2.lattice, val2, '++++++')\n\n if val2 > options.smin2:\n str1 = s1.lattice.__str__(fmt=\"4.1f\", ltype=False)\n str2 = s2.lattice.__str__(fmt=\"4.1f\", ltype=False)\n label1 = f\"{str1} - {val1:.3f} - {s1.group.number}\"\n label2 = f\"{str2} - {val2:.3f} - {s2.group.number}\"\n pxrds.append((pxrd1, label1, pxrd2, label2))\n with open(options.out, 'a+') as f:\n f.writelines(s1.to_file(header=label1))\n f.writelines(s2.to_file(header=label2))\n\n fig, (ax1, ax2) = plt.subplots(nrows=1, ncols=2, figsize=(12, 4))\n\n item1 = label1.split('-')\n item2 = label2.split('-')\n cell1, sim1, spg1 = item1[0], item1[1], item1[2].strip()\n cell2, sim2, spg2 = item2[0], item2[1], item2[2].strip()\n\n l1 = f\"Init. Similarity: {sim1} ({spg1})\"\n l2 = f\"Opt. Similarity: {sim2} ({spg2})\"\n\n ax1.plot(ref_pxrd[0], ref_pxrd[1], 'black', label=l1, lw=1.0, alpha=0.5)\n ax2.plot(ref_pxrd[0], ref_pxrd[1], 'black', label=l2, lw=1.0, alpha=0.5)\n ax1.plot(pxrd1[0], pxrd1[1], 'b:', label=cell1, lw=1.2, alpha=0.5)\n ax2.plot(pxrd2[0], pxrd2[1], 'b:', label=cell2, lw=1.2, alpha=0.5)\n\n ax1.set_xlabel('2θ (degrees)')\n ax1.set_ylabel('Intensity (a.u.)')\n ax2.set_xlabel('2θ (degrees)')\n ax2.set_ylabel('Intensity (a.u.)')\n\n ax1.legend()\n ax2.legend()\n\n fig.suptitle(f'PXRD Match {i+1}')\n fig.tight_layout()\n\n fig.savefig(f\"pxrd_match_{i+1}.png\", dpi=150)\n plt.close(fig)\n\n\n\n if len(pxrds) == 0:\n raise ValueError(\"No PXRDs found that match the reference PXRD well.\")\n else:\n print(\"PXRDs found:\", len(pxrds))\n\n #print(\"Saving individual PXRD match figures...\")\n #for i, (pxrd1, label1, pxrd2, label2) in enumerate(pxrds):\n #print(f\"Saved {len(pxrds)} individual PXRD match figures.\")\n" }, { "path": "pyxtal/XRD_indexer.py", "content": "\"\"\"\nModule for PXRD indexing and lattice parameter estimation.\n\"\"\"\nfrom pyxtal import pyxtal\nfrom pyxtal.lattice import Lattice\nimport numpy as np\nfrom itertools import combinations\nfrom pyxtal.symmetry import rf, Group, get_bravais_lattice, get_lattice_type, generate_possible_hkls\nfrom pyxtal.database.element import Element\nfrom collections import defaultdict\n\ndef find_wp_assignments(comp, ids, nums):\n \"\"\"\n Assigns Wyckoff position IDs to a composition. This function can handle\n cases where a composition number is a sum of multiple Wyckoff multiplicities.\n\n Args:\n comp (list): The target composition counts, e.g., [18, 6].\n ids (list): The list of Wyckoff position IDs, e.g., [1, 1, 6, 8, 9].\n nums (list): The corresponding multiplicities for each ID, e.g., [8, 8, 4, 2, 2].\n\n Returns:\n list: A list of all possible valid assignments. Each assignment is a list\n of lists, where each inner list contains the WP IDs for an element.\n \"\"\"\n\n # Pair IDs with their multiplicities and indices for unique tracking\n wp_info = list(zip(ids, nums, range(len(ids))))\n\n # --- Helper function to find all subsets that sum to a target ---\n def find_subsets(target, available_wps, start_index=0, current_subset=[]):\n if target == 0:\n yield current_subset\n return\n if target < 0 or start_index == len(available_wps):\n return\n\n for i in range(start_index, len(available_wps)):\n wp_id, wp_num, original_index = available_wps[i]\n\n # To handle duplicate numbers, we only proceed if this is the first\n # occurrence or if the previous identical element was not chosen.\n #if i > start_index and available_wps[i][1] == available_wps[i-1][1]:\n # continue\n\n # Recurse with the current element included\n yield from find_subsets(\n target - wp_num,\n available_wps,\n i + 1,\n current_subset + [available_wps[i]]\n )\n\n # --- Main backtracking solver ---\n solutions = []\n\n def solve(comp_targets, current_assignment, available_wps):\n if not comp_targets:\n # Sort the assignment by the original index before storing\n sorted_assignment = sorted(current_assignment, key=lambda x: x[0])\n # Extract just the WP lists in the correct order\n final_solution = [part for index, part in sorted_assignment]\n solutions.append(final_solution)\n return\n\n original_index, target_comp = comp_targets[0]\n remaining_comp = comp_targets[1:]\n\n # Find all possible ways to form the target composition number\n possible_subsets = list(find_subsets(target_comp, available_wps))\n\n for subset in possible_subsets:\n # For each valid subset, create a new assignment\n new_assignment_part = [wp[0] for wp in subset] # Get just the IDs\n\n # Determine the remaining available WPs for the next recursive call\n used_indices = {wp[2] for wp in subset}\n next_available_wps = [wp for wp in available_wps if wp[2] not in used_indices]\n\n # Recurse, adding the original index along with the assignment part\n solve(remaining_comp, current_assignment + [(original_index, new_assignment_part)], next_available_wps)\n\n # Pair composition values with their original indices\n indexed_comp = list(enumerate(comp))\n # Sort by composition value (descending) to prune search space faster\n sorted_indexed_comp = sorted(indexed_comp, key=lambda x: x[1], reverse=True)\n\n solve(sorted_indexed_comp, [], wp_info)\n\n # --- Remove duplicate solutions ---\n # The backtracking algorithm can produce solutions that are identical in content\n # but were arrived at through different paths (e.g., choosing identical\n # input WPs in a different order). We remove these duplicates here.\n unique_solutions = []\n seen = set()\n for sol in solutions:\n # Convert the solution to a canonical, hashable representation\n # by sorting each inner list and converting the whole structure to tuples.\n canonical_sol = tuple(tuple(sorted(part)) for part in sol)\n if canonical_sol not in seen:\n seen.add(canonical_sol)\n unique_solutions.append(sol)\n\n return unique_solutions\n\n\ndef get_cell_params(bravais, hkls, two_thetas, wave_length=1.54184):\n \"\"\"\n Calculate cell parameters for a given set of hkls.\n\n Args:\n bravais (int): Bravais lattice type (0-13)\n hkls: list of (h, k, l) tuples\n two_thetas: list of 2theta values\n wave_length: X-ray wavelength, default is Cu K-alpha\n \"\"\"\n hkls = np.array(hkls)\n two_thetas = np.array(two_thetas)\n\n # Convert to d-spacings\n thetas = np.radians(two_thetas / 2)\n d_spacings = wave_length / (2 * np.sin(thetas))\n\n cells = []\n ltype = get_lattice_type(bravais)\n if ltype == 6: # cubic, only need a\n h_sq_sum = np.sum(hkls**2, axis=1)\n cells = d_spacings * np.sqrt(h_sq_sum)\n #for m in range(len(cells)): print(cells[m], hkls[m], d_spacings[m], two_thetas[m])\n mask = cells < 50.0\n cells = cells[mask]\n cells = np.reshape(cells, [len(cells), 1])\n hkls_out = hkls[mask]\n\n elif ltype == 5: # hexagonal, need a and c\n # need two hkls to determine a and c\n len_solutions = len(hkls) // 2\n ds = (2 * np.sin(thetas) / wave_length)**2\n A = np.zeros([len(hkls), 2])\n A[:, 0] = 4/3 * (hkls[:, 0] ** 2 + hkls[:, 0] * hkls[:, 1] + hkls[:, 1] ** 2)\n A[:, 1] = hkls[:, 2] ** 2\n B = np.reshape(ds, [len_solutions, 2])\n A = np.reshape(A, [len_solutions, 2, 2])#; print(A.shape, B.shape)\n xs = np.linalg.solve(A, B)#; print(xs); import sys; sys.exit()\n mask1 = np.all(xs[:, :] > 0, axis=1)\n hkls_out = np.reshape(hkls, (len_solutions, 6))\n hkls_out = hkls_out[mask1]\n xs = xs[mask1]\n cells = np.sqrt(1/xs)\n mask2 = cells[:, 0] < 50.0\n cells = cells[mask2]\n hkls_out = hkls_out[mask2]\n\n elif ltype == 4: # tetragonal, need a and c\n # need two hkls to determine a and c\n len_solutions = len(hkls) // 2\n ds = (2 * np.sin(thetas) / wave_length)**2\n A = np.zeros([len(hkls), 2])\n A[:, 0] = hkls[:, 0] ** 2 + hkls[:, 1] ** 2\n A[:, 1] = hkls[:, 2] ** 2\n B = np.reshape(ds, [len_solutions, 2])\n A = np.reshape(A, [len_solutions, 2, 2])#; print(A.shape, B.shape)\n xs = np.linalg.solve(A, B)#; print(xs); import sys; sys.exit()\n mask1 = np.all(xs[:, :] > 0, axis=1)\n hkls_out = np.reshape(hkls, (len_solutions, 6))\n hkls_out = hkls_out[mask1]\n xs = xs[mask1]\n cells = np.sqrt(1/xs)\n mask2 = np.all(cells[:, :2] < 50.0, axis=1)\n cells = cells[mask2]\n hkls_out = hkls_out[mask2]\n\n elif ltype == 3: # orthorhombic, need a, b, c\n # need three hkls to determine a, b, c\n len_solutions = len(hkls) // 3\n ds = (2 * np.sin(thetas) / wave_length)**2\n A = np.zeros([len(hkls), 3])\n A[:, 0] = hkls[:, 0] ** 2\n A[:, 1] = hkls[:, 1] ** 2\n A[:, 2] = hkls[:, 2] ** 2\n B = np.reshape(ds, [len_solutions, 3])\n A = np.reshape(A, [len_solutions, 3, 3])\n xs = np.linalg.solve(A, B)#; print(xs); import sys; sys.exit()\n mask1 = np.all(xs[:, :] > 0, axis=1)\n hkls_out = np.reshape(hkls, (len_solutions, 9))\n hkls_out = hkls_out[mask1]\n xs = xs[mask1]\n cells = np.sqrt(1/xs)\n mask2 = np.all(cells[:, :3] < 65.0, axis=1)\n cells = cells[mask2]\n hkls_out = hkls_out[mask2]\n\n elif ltype == 2: # monoclinic, need a, b, c, beta\n # need four hkls to determine a, b, c, beta\n len_solutions = len(hkls) // 4\n thetas = np.radians(two_thetas/2)\n ds = (2 * np.sin(thetas) / wave_length)**2\n # hkls (4*N, 3) A=> N, 4, 4\n A = np.zeros([len(hkls), 4])\n A[:, 0] = hkls[:, 0] ** 2\n A[:, 1] = hkls[:, 1] ** 2\n A[:, 2] = hkls[:, 2] ** 2\n A[:, 3] = hkls[:, 0] * hkls[:, 2]\n B = np.reshape(ds, [len_solutions, 4])\n A = np.reshape(A, [len_solutions, 4, 4])#; print(A.shape, B.shape)\n xs = np.linalg.solve(A, B)#; print(xs); import sys; sys.exit()\n mask1 = np.all(xs[:, :3] > 0, axis=1)\n hkls_out = np.reshape(hkls, (len_solutions, 12))#;print(hkls.shape, mask1.shape, A.shape)\n hkls_out = hkls_out[mask1]\n xs = xs[mask1]\n\n cos_betas = -xs[:, 3] / (2 * np.sqrt(xs[:, 0] * xs[:, 2]))\n masks = np.abs(cos_betas) <= 1/np.sqrt(2)\n xs = xs[masks]\n hkls_out = hkls_out[masks]\n\n cos_betas = cos_betas[masks]\n sin_betas = np.sqrt(1 - cos_betas ** 2)\n cells = np.zeros([len(xs), 4])\n cells[:, 1] = np.sqrt(1/xs[:, 1])\n cells[:, 3] = np.degrees(np.arccos(cos_betas))\n cells[:, 0] = np.sqrt(1/xs[:, 0]) / sin_betas\n cells[:, 2] = np.sqrt(1/xs[:, 2]) / sin_betas\n\n # force angle to be less than 90\n mask = cells[:, 3] > 90.0\n cells[mask, 3] = 180.0 - cells[mask, 3]\n\n mask2 = np.all(cells[:, :3] < 50.0, axis=1)\n cells = cells[mask2]\n hkls_out = hkls_out[mask2]\n #print(cells)\n else:\n msg = \"Only cubic, tetragonal, hexagonal, and orthorhombic systems are supported.\"\n raise NotImplementedError(msg)\n\n return cells, hkls_out\n\ndef get_d_hkl_from_cell(bravais, cells, h, k, l):\n \"\"\"\n Estimate the maximum hkl indices to consider based on the cell parameters and maximum 2theta.\n\n Args:\n bravais (int): Bravais lattice type (1-15)\n cells: cell parameters\n h: h index\n k: k index\n l: l index\n \"\"\"\n ltype = get_lattice_type(bravais)\n if ltype == 6: # cubic\n d = cells[:, 0] / np.sqrt(h**2 + k**2 + l**2)\n elif ltype == 5: # hexagonal\n a, c = cells[:, 0], cells[:, 1]\n d = 1 / np.sqrt((4/3) * (h**2 + h*k + k**2) / a**2 + l**2 / c**2)\n elif ltype == 4: # tetragonal\n a, c = cells[:, 0], cells[:, 1]\n d = 1 / np.sqrt((h**2 + k**2) / a**2 + l**2 / c**2)\n elif ltype == 3: # orthorhombic\n a, b, c = cells[:, 0], cells[:, 1], cells[:, 2]\n d = 1 / np.sqrt(h**2 / a**2 + k**2 / b**2 + l**2 / c**2)\n elif ltype == 2: # monoclinic\n a, b, c, beta = cells[:, 0], cells[:, 1], cells[:, 2], np.radians(cells[:, 3])\n sin_beta = np.sin(beta)\n d = 1 / np.sqrt((h**2 / (a**2 * sin_beta**2)) + (k**2 / b**2) + (l**2 / (c**2 * sin_beta**2)) -\n (2 * h * l * np.cos(beta) / (a * c * sin_beta**2)))\n else:\n raise NotImplementedError(\"triclinic systems are not supported.\")\n return d\n\ndef calc_two_theta_from_cell(bravais, hkls, cells, wave_length=1.54184):\n \"\"\"\n Calculate expected 2theta values from hkls and cell parameters.\n\n Args:\n bravais (int): Bravais lattice type (1-15)\n hkls: hkl indices (np.array)\n cells: cell parameters\n wave_length: X-ray wavelength, default is Cu K-alpha\n \"\"\"\n h, k, l = hkls[:, 0], hkls[:, 1], hkls[:, 2]\n ltype = get_lattice_type(bravais)\n if ltype == 6: # cubic\n a = cells[0]\n d = a / np.sqrt(h**2 + k**2 + l**2)#; print('ddddd', d)\n elif ltype == 5: # hexagonal\n a, c = cells[0], cells[1]\n d = 1 / np.sqrt((4/3) * (h**2 + h*k + k**2) / a**2 + l**2 / c**2)\n elif ltype == 4: # tetragonal\n a, c = cells[0], cells[1]\n d = 1 / np.sqrt((h**2 + k**2) / a**2 + l**2 / c**2)\n elif ltype == 3: # orthorhombic\n a, b, c = cells[0], cells[1], cells[2]\n d = 1 / np.sqrt(h**2 / a**2 + k**2 / b**2 + l**2 / c**2)\n elif ltype == 2: # monoclinic\n a, b, c, beta = cells[0], cells[1], cells[2], np.radians(cells[3])\n sin_beta = np.sin(beta)\n d = 1 / np.sqrt((h**2 / (a**2 * sin_beta**2)) + (k**2 / b**2) + (l**2 / (c**2 * sin_beta**2)) -\n (2 * h * l * np.cos(beta) / (a * c * sin_beta**2)))\n else:\n raise NotImplementedError(\"triclinic systems are not supported.\")\n\n # Handle cases where sin_theta > 1\n sin_theta = wave_length / (2 * d)\n valid = sin_theta <= 1#; print(d[~valid])\n two_thetas = 2 * np.degrees(np.arcsin(sin_theta[valid]))\n two_thetas = np.round(two_thetas, decimals=3)\n two_thetas, ids = np.unique(two_thetas, return_index=True)\n return two_thetas, hkls[valid][ids]\n\ndef get_seeds(bravais, hkls, two_thetas):\n \"\"\"\n Select all possible seed hkls from the provided hkls based on the space group.\n\n Args:\n bravais (int): Bravais lattice type (0-13)\n hkls: list of (h, k, l) tuples\n two_thetas: list of 2theta values\n\n Returns:\n seed_hkls: a list of hkls for seeding\n seed_thetas: corresponding two_thetas\n \"\"\"\n seed_hkls = []\n seed_thetas = []\n # For cubic, we can select any hkl.\n ltype = get_lattice_type(bravais)\n if ltype == 6: # cubic\n seed_hkls, seed_thetas = hkls, two_thetas\n # For hexagonal/tetragonal, select two hkls and avoid two (h,k,0) or (0,0,l) cases\n elif ltype in [4, 5]:\n # loop all possible pairs and exclude invalid ones\n for i in range(len(hkls)-1):\n h1, k1, l1 = hkls[i]\n for j in range(i+1, len(hkls)):\n h2, k2, l2 = hkls[j]\n if (l1 == 0 and l2 == 0):\n continue\n elif (h1 == 0 and k1 == 0) and (h2 == 0 and k2 == 0):\n continue\n seed_hkls.append((h1, k1, l1))\n seed_hkls.append((h2, k2, l2))\n seed_thetas.append(two_thetas[i])\n seed_thetas.append(two_thetas[j])\n\n # For orthororhombic, select three hkls and avoid (h,0,0), (0,k,0), (0,0,l)\n elif ltype == 3:\n for i in range(len(hkls)-1):\n h1, k1, l1 = hkls[i]\n for j in range(i+1, len(hkls)):\n h2, k2, l2 = hkls[j]\n for k in range(j+1, len(hkls)):\n h3, k3, l3 = hkls[k]\n if (h1 == 0 and h2 == 0 and h3 == 0):\n continue\n elif (k1 == 0 and k2 == 0 and k3 == 0):\n continue\n elif (l1 == 0 and l2 == 0 and l3 == 0):\n continue\n # Note may still have something like (111), (222), (333)\n seed_hkls.append((h1, k1, l1))\n seed_hkls.append((h2, k2, l2))\n seed_hkls.append((h3, k3, l3))\n seed_thetas.append(two_thetas[i])\n seed_thetas.append(two_thetas[j])\n seed_thetas.append(two_thetas[k])\n elif ltype == 2: # monoclinic\n for i in range(len(hkls)-1):\n h1, k1, l1 = hkls[i]\n for j in range(i+1, len(hkls)):\n h2, k2, l2 = hkls[j]\n for k in range(j+1, len(hkls)):\n h3, k3, l3 = hkls[k]\n for m in range(k+1, len(hkls)):\n h4, k4, l4 = hkls[m]\n if (h1 == 0 and h2 == 0 and h3 == 0 and h4 == 0):\n continue\n elif (k1 == 0 and k2 == 0 and k3 == 0 and k4 == 0):\n continue\n elif (l1 == 0 and l2 == 0 and l3 == 0 and l4 == 0):\n continue\n seed_hkls.append((h1, k1, l1))\n seed_hkls.append((h2, k2, l2))\n seed_hkls.append((h3, k3, l3))\n seed_hkls.append((h4, k4, l4))\n seed_thetas.append(two_thetas[i])\n seed_thetas.append(two_thetas[j])\n seed_thetas.append(two_thetas[k])\n seed_thetas.append(two_thetas[m])\n else:\n raise NotImplementedError(\"mono/tri-clinic systems are not supported.\")\n\n return seed_hkls, seed_thetas\n\ndef get_unique_thetas(xrd, bravais):\n ltype = get_lattice_type(bravais)\n if ltype == 6: # cubic\n unique_thetas = xrd.pxrd[:20,0]\n else:\n # deal with (001, 002, 003) for spg < 195\n int_counts = []\n for jj in range(1, 5):\n ratio = np.sin(np.radians(xrd.pxrd[jj, 0] / 2)) / np.sin(np.radians(xrd.pxrd[0, 0] / 2))\n if ratio > 1.1 and abs(ratio - round(ratio)) < 0.01:\n int_counts.append(jj)\n # in case two are related\n if 1 not in int_counts:\n for jj in range(2, 10):\n ratio = np.sin(np.radians(xrd.pxrd[jj, 0] / 2)) / np.sin(np.radians(xrd.pxrd[1, 0] / 2))\n if ratio > 1.1 and abs(ratio - round(ratio)) < 0.01:\n int_counts.append(jj)\n\n # if more than three ratios are close to integers, only keep the first peak\n if len(int_counts) > 0:\n unique_thetas = []\n for jj in range(min(15, len(xrd.pxrd))):\n if jj == 0 or jj not in int_counts:\n unique_thetas.append(xrd.pxrd[jj, 0])\n unique_thetas = np.array(unique_thetas)\n print('processed', unique_thetas)\n else:\n unique_thetas = xrd.pxrd[:min([15, len(xrd.pxrd)]), 0]\n\n # Remove two consecutive peaks that are very close\n filtered_thetas = [unique_thetas[0]]\n for jj in range(1, len(unique_thetas)):\n if abs(unique_thetas[jj] - unique_thetas[jj-1]) > 0.02:\n filtered_thetas.append(unique_thetas[jj])\n unique_thetas = np.array(filtered_thetas)\n print(\"Final thetas:\", unique_thetas)\n return unique_thetas\n\n\ndef get_cell_from_multi_hkls(bravais, hkls, two_thetas, long_thetas=None, wave_length=1.54184,\n tolerance=0.1, use_seed=True, trial_hkls=None,\n max_mismatch=20):\n \"\"\"\n Estimate the cell parameters from multiple (hkl, two_theta) inputs.\n The idea is to use the Bragg's law to estimate the lattice parameters.\n We need to run multiple trials and select the best one.\n\n Args:\n bravais (int): Bravais lattice type (0-13)\n hkls: list of (h, k, l) tuples\n two_thetas: list of 2theta values\n long_thetas: array of all observed 2theta values\n wave_length: X-ray wavelength, default is Cu K-alpha\n tolerance: tolerance for matching 2theta values, default is 0.1 degrees\n use_seed: whether to use seed hkls for initial cell estimation\n trial_hkls: pre-generated trial hkls to speed up calculation\n max_mismatch: maximum number of mismatched peaks allowed\n\n Returns:\n cells: list of solutions\n \"\"\"\n if long_thetas is None: long_thetas = two_thetas\n\n if use_seed:\n seed_hkls, seed_thetas = get_seeds(bravais, hkls, two_thetas)#; print(seed_hkls, seed_thetas)\n cells, hkls = get_cell_params(bravais, seed_hkls, seed_thetas, wave_length)#; print(cells)\n else:\n cells, hkls = get_cell_params(bravais, hkls, two_thetas, wave_length)#; print(cells)\n\n if trial_hkls is None:\n trial_hkls = generate_possible_hkls(bravais, 100, 100, 100)\n\n #cells = np.array(cells)\n if len(cells) == 0: return []\n # keep cells up to 4 decimal places\n if bravais <= 3:\n cells[:, -1] = np.round(cells[:, -1], decimals=2)\n cells[:, :3] = np.round(cells[:, :3], decimals=4)\n elif bravais > 12:\n cells = np.round(cells, decimals=5)\n\n _, unique_ids = np.unique(cells, axis=0, return_index=True)\n hkls = hkls[unique_ids]#; print(cells) # remove duplicates\n cells = cells[unique_ids]\n\n # get the maximum h from assuming the cell[-1] is (h00)\n d_100s = get_d_hkl_from_cell(bravais, cells, 1, 0, 0)\n d_010s = get_d_hkl_from_cell(bravais, cells, 0, 1, 0)\n d_001s = get_d_hkl_from_cell(bravais, cells, 0, 0, 1)\n theta_100s = 2*np.degrees(np.arcsin(wave_length / (2 * d_100s)))\n theta_010s = 2*np.degrees(np.arcsin(wave_length / (2 * d_010s)))\n theta_001s = 2*np.degrees(np.arcsin(wave_length / (2 * d_001s)))\n h_maxs = np.array(long_thetas[-1] / theta_100s, dtype=int); h_maxs[h_maxs > 100] = 100\n k_maxs = np.array(long_thetas[-1] / theta_010s, dtype=int); k_maxs[k_maxs > 100] = 100\n l_maxs = np.array(long_thetas[-1] / theta_001s, dtype=int); l_maxs[l_maxs > 100] = 100\n\n solutions = []\n for i, cell in enumerate(cells):\n if cell.min() <= 2.0: continue # skip too small cells\n h_max, k_max, l_max = h_maxs[i], k_maxs[i], l_maxs[i]\n mask = (trial_hkls[:,0] <= h_max) & (trial_hkls[:,1] <= k_max) & (trial_hkls[:,2] <= l_max)\n test_hkls = trial_hkls[mask]\n exp_thetas, exp_hkls = calc_two_theta_from_cell(bravais, test_hkls, cell, wave_length)\n if len(exp_thetas) == 0: continue\n\n errors_matrix_raw = long_thetas[:, np.newaxis] - exp_thetas[np.newaxis, :]\n errors_matrix = np.abs(errors_matrix_raw)\n within_tolerance = errors_matrix < tolerance\n has_obs_match = np.any(within_tolerance, axis=1)\n ids_matched = np.where(has_obs_match)[0]\n\n if len(ids_matched) == len(long_thetas):\n # Get the obs. peaks\n matched_peaks = []\n for id in ids_matched:\n errors = errors_matrix[id]\n obs_theta = long_thetas[id]\n hkl_id = np.argmin(errors)\n error = errors_matrix_raw[id, hkl_id]\n matched_peaks.append((exp_hkls[hkl_id], obs_theta, error))\n\n mis_obs_match = np.any(within_tolerance, axis=0)\n ids_mis_matched = np.where(~mis_obs_match)[0]\n\n mis_matched_peaks = []\n for id in ids_mis_matched:\n hkl = exp_hkls[id]\n theta = exp_thetas[id]\n if theta < long_thetas[-1] and abs(hkl).max() < 3:\n mis_matched_peaks.append((hkl, theta))\n\n if len(mis_matched_peaks) <= max_mismatch:\n solutions.append({\n 'cell': cell,\n 'matched_peaks': matched_peaks,\n 'mis_matched_peaks': mis_matched_peaks,\n 'id': hkls[i],\n })\n #if len(mis_matched_peaks) > 0:\n # print(cell, mis_matched_peaks)#; import sys; sys.exit()\n\n return solutions\n\ndef get_cell_from_thetas(spg, long_thetas, N_add=5, max_mismatch=20, theta_tol=0.25,\n cell_tol=0.2, hkl_max=(2, 3, 10), max_square=20,\n N_batch=20, verbose=False):\n \"\"\"\n Estimate the cell parameters from multiple 2theta inputs.\n\n Args:\n spg (int): space group number (1-230)\n long_thetas: list of 2theta values\n N_add: number of extra peaks to consider beyond the number of hkls\n max_mismatch: maximum number of mismatched peaks allowed\n theta_tol: tolerance for matching 2theta values, default is 0.25 degrees\n cell_tol: tolerance for considering two cells as the same, default is 0.2\n N_batch: batch size for processing guesses\n verbose: whether to print verbose output\n\n Returns:\n cells: list of solutions\n \"\"\"\n bravais = get_bravais_lattice(spg)\n trial_hkls = generate_possible_hkls(bravais, 50, 50, 50)\n unique_thetas = long_thetas\n group = Group(spg)\n h, k, l = hkl_max\n guesses = group.generate_hkl_guesses(h, k, l, max_square=max_square,\n verbose=True)\n guesses = np.array(guesses)\n print(\"Total guesses:\", len(guesses), unique_thetas)\n sum_squares = np.sum(guesses**2, axis=(1,2))\n sorted_indices = np.argsort(sum_squares)\n guesses = guesses[sorted_indices]\n\n n_peaks = len(guesses[0])\n N = min([n_peaks + N_add, len(unique_thetas)])\n available_peaks = long_thetas[:N]\n\n thetas = []\n for peak_combo in combinations(range(N), n_peaks):\n thetas.extend(available_peaks[list(peak_combo)])\n N_thetas = len(thetas) // n_peaks\n thetas = np.array(thetas)\n thetas = np.tile(thetas, N_batch)\n\n results = []\n cell_all = []\n\n for i in range(len(guesses)//N_batch + 1):\n if i == len(guesses)//N_batch:\n N_batch = len(guesses) - N_batch * i\n if N_batch == 0:\n break\n else:\n thetas = thetas[:N_thetas * n_peaks * N_batch]\n hkls_t = np.tile(guesses[N_batch*i:N_batch*(i+1)], (1, N_thetas, 1))\n hkls_t = np.reshape(hkls_t, (-1, 3))\n sols = get_cell_from_multi_hkls(bravais, hkls_t, thetas, long_thetas,\n use_seed=False,\n trial_hkls=trial_hkls,\n tolerance=theta_tol,\n max_mismatch=max_mismatch)\n for sol in sols:\n guess, match, mis_match = sol['id'], sol['matched_peaks'], sol['mis_matched_peaks']\n if len(match) == len(long_thetas):\n cell1 = sol['cell'] #np.sort(np.array(sol['cell']))\n d2 = np.sum(guess**2)\n\n if len(cell_all) == 0:\n cell_all = np.array([cell1])\n if verbose:\n print(f\"Guess: {guess}, {d2}, {cell1}, {len(mis_match)}/{len(long_thetas)}\")\n results.append(sol)\n else:\n diffs = np.sum((cell_all - cell1)**2, axis=1)\n if len(cell_all[diffs < cell_tol]) == 0:\n if verbose:\n print(f\"Guess: {guess}, {d2}, {cell1}, {len(mis_match)}/{len(long_thetas)}\")\n results.append(sol)\n cell_all = np.vstack([cell_all, cell1])\n\n return results\n\nclass XtalManager:\n def __init__(self, spg, species, numIons, cell, WPs):\n \"\"\"\n Crystal Manager is used to handle crystal structure related operations.\n\n Args:\n spg (int): Space group number\n WPs (list): Wyckoff positions\n cell (list): Cell parameters\n \"\"\"\n self.spg = Group(spg)\n self.WPs = WPs\n self.cell = cell\n self.species = species\n self.numIons = numIons\n dof = 0\n sites = [[] for _ in range(len(species))]\n for i, wp in enumerate(WPs):\n for _wp in wp:\n dof += self.spg[_wp].get_dof()\n sites[i].append(self.spg[_wp].get_label())\n self.dof = dof\n self.sites = sites\n print(f\"Space group: {spg}, Wyckoff positions: {sites}, DOF: {dof}\")\n\n def generate_structure(self):\n \"\"\"\n Generate the crystal structure from the Wyckoff positions and cell parameters.\n \"\"\"\n xtal = pyxtal()\n xtal.from_random(3, self.spg, self.species, self.numIons,\n lattice = self.cell, sites=self.sites, force_pass=True)\n return xtal\n\nclass WPManager:\n def __init__(self, spg, cell, composition={'Si': 1, 'O': 2}, max_wp=8, max_Z=8, max_dof=10):\n \"\"\"\n WP Manager is used to infer likely Wyckoff positions from the given space group,\n cell, composition, and density constraint.\n\n Args:\n spg (int): Space group number\n cell (list): Cell parameters\n composition (dict): Elemental composition\n max_wp (int): Maximum number of Wyckoff positions to consider\n max_Z (int): Maximum Z value to consider for volume estimation\n max_dof (int): Maximum degrees of freedom to consider\n \"\"\"\n from pandas import read_csv\n df = read_csv(rf(\"pyxtal\", \"database/spg_num_wps_raw.csv\"))\n self.spg = spg\n self.df = df[df['spg'] == self.spg]\n self.cell = cell\n self.composition = composition\n self.comp = [composition[key] for key in composition.keys()]\n self.group = Group(spg)\n self.orders = self.group.get_orders()\n self.lattice = Lattice.from_1d_representation(cell, self.group.lattice_type)\n volume = self.lattice.volume\n self.max_wp = max_wp\n self.max_dof = max_dof\n vol = [0, 0]\n for el in composition.keys():\n sp = Element(el)\n vol1, vol2 = 0.8*sp.covalent_radius**3, 4*sp.covalent_radius**3 #sp.vdw_radius**3\n vol[0] += composition[el] * vol1 * np.pi * 4 / 3\n vol[1] += composition[el] * vol2 * np.pi * 4 / 3\n\n self.Zs = (int(np.round(volume / vol[1])), int(np.round(volume / vol[0])))\n if self.Zs[1] > max_Z:\n self.Zs = (self.Zs[0], max_Z)\n print(f\"Estimated Z range: {self.Zs} {volume} {vol}\")\n\n def get_wyckoff_positions_bak(self):\n \"\"\"\n Infer possible Wyckoff position combinations based on the composition and Z range.\n \"\"\"\n sols = []\n for Z in range(self.Zs[0], self.Zs[1]+1):\n comp = [n * Z for n in self.comp]\n wps, _, ids = self.group.list_wyckoff_combinations(comp, numWp=(0, self.max_wp))\n indices = sorted(range(len(ids)), key=lambda i: sum(len(x) for x in ids[i]))\n ids = [ids[i] for i in indices]\n wps = [wps[i] for i in indices]\n if len(ids) > 0:\n #print(f\"Z={Z}: Found {len(ids)} Wyckoff position combinations.\")\n wp_lists = []\n for id in ids:\n # Check if the combination is alternative to existing ones\n duplicate = False\n tmp = [len(self.group)-1-item for sublist in id for item in sublist]\n for order in self.orders:\n tmp_list = order[tmp].tolist()\n #print(\"Checking order:\", wps[i], tmp, tmp_list)\n if tmp_list in wp_lists:\n duplicate = True\n #print(wps[i], \"is duplicate\")\n break\n if not duplicate:\n dof = [self.group[wp].get_dof() for sublist in id for wp in sublist]\n wp_lists.append(tmp)\n sols.append((self.spg, comp, self.lattice, id, len(tmp), sum(dof)))\n #print(\"Added:\", self.spg, comp, id)\n print(f\"Z={Z}: Kept {len(sols)} Wyckoff position combinations.\")\n # sort sols by DOF and number of WPs\n sols = sorted(sols, key=lambda x: (x[5], x[4]))\n return sols\n\n def get_wyckoff_positions(self):\n \"\"\"\n Infer possible Wyckoff position combinations based on the composition and Z range.\n \"\"\"\n sols = []\n for Z in range(self.Zs[0], self.Zs[1]+1):\n df_z = self.df[self.df['n_atoms'] == Z * sum(self.comp)]\n #print(df_z)\n if len(df_z) == 0: continue\n #print(f\"Z={Z}: Found {len(df_z)} Wyckoff position combinations.\")\n comp = [n * Z for n in self.comp]\n wp_lists = []\n for _, row in df_z.iterrows():\n ids = [int(x) for x in row['wps'].split('-')]\n nums = [self.group[id].multiplicity for id in ids]\n if len(ids) > self.max_wp: continue\n solutions = find_wp_assignments(comp, ids, nums)\n #print(comp, ids, nums, solutions)#; import sys; sys.exit()\n for sol in solutions:\n dof = [self.group[w].get_dof() for wp in sol for w in wp]\n #print([self.group[w].get_label() for wp in sol for w in wp])\n if sum(dof) > self.max_dof: continue\n\n duplicate = False\n tmp = [len(self.group)-1-item for sublist in sol for item in sublist]\n for order in self.orders:\n tmp_list = order[tmp].tolist()\n #print(\"Checking order:\", wps[i], tmp, tmp_list)\n if tmp_list in wp_lists:\n duplicate = True\n #print(wps[i], \"is duplicate\")\n break\n if not duplicate:\n wp_lists.append(tmp)\n sols.append((self.spg, comp, self.lattice, sol, len(sol), sum(dof)))\n #print(\"Added:\", self.spg, comp, ids)\n print(f\"Z={Z}: Kept {len(sols)} Wyckoff position combinations.\")\n # sort sols by DOF and number of WPs\n #import sys; sys.exit()\n sols = sorted(sols, key=lambda x: (x[5], x[4]))\n return sols\n\n\n\nclass CellManager:\n def __init__(self, spg, params, missing):\n # Store raw parameters\n self.raw_params = params\n # Sort dimensions immediately for consistent comparison (e.g. [5, 44] == [44, 5])\n #self.dims = np.sort(np.array(params))\n self.dims = np.array(params)\n self.missing = missing\n # Proxy for size (Area for 2D, Volume for 3D) used for sorting\n self.group = Group(spg)\n lattice = Lattice.from_1d_representation(self.dims, self.group.lattice_type)\n self.size_proxy = lattice.volume\n\n def is_supercell_of(self, other, tol=0.05):\n \"\"\"Instance method: Check if 'self' is an integer multiple (supercell) of 'other'.\"\"\"\n ratios = self.dims / other.dims\n\n # Check if ratios are close to integers (1, 2, 3...)\n is_integer = np.all(np.abs(ratios - np.round(ratios)) < tol)\n # Check if it is actually larger (at least one dimension is > 1.01x)\n is_larger = np.any(np.round(ratios) > 1.01)\n\n return is_integer and is_larger\n\n def is_similar_to(self, other, tol=0.04):\n \"\"\"Instance method: Check if 'self' is nearly identical to 'other' (duplicate).\"\"\"\n diff = np.abs(self.dims - other.dims) / other.dims\n return np.all(diff < tol)\n\n def __repr__(self):\n return f\"Cell: {self.dims}, Missing: {self.missing}\"\n\n @classmethod\n def consolidate(cls, raw_data, merge_tol=0.04, supercell_tol=0.05, max_solutions=5, verbose=False):\n \"\"\"\n Class method: Takes raw list of [dims, missing], instantiates objects,\n sorts, merges duplicates, removes supercells, and returns the clean list.\n \"\"\"\n # 1. Instantiate objects\n solutions = [cls(d[0], d[1], d[2]) for d in raw_data]\n\n # 2. Sort: Primary = Fewest Missing (Quality), Secondary = Smallest Size (Parsimony)\n solutions.sort(key=lambda x: (x.size_proxy, x.missing))\n\n kept_solutions = []\n indices_to_skip = set()\n\n print(f\"{'Status':<10} | {'Dims (Sorted)':<28} | {'Missing':<8} | {'Note'}\")\n print(\"-\" * 75)\n\n for i in range(len(solutions)):\n if i in indices_to_skip:\n continue\n\n base = solutions[i]\n kept_solutions.append(base)\n print(f\"{'KEEP':<10} | {str(base.dims):<28} | {base.missing:<8} | Best candidate\")\n if len(kept_solutions) >= max_solutions:\n print(f\"Reached maximum of {max_solutions} solutions, stopping further consolidation.\")\n break\n\n # Sweep through the rest of the list to find duplicates or supercells\n for j in range(i + 1, len(solutions)):\n if j in indices_to_skip:\n continue\n\n candidate = solutions[j]\n\n # CHECK 1: Merge (Duplicate)\n if candidate.is_similar_to(base, tol=merge_tol):\n if candidate.missing < base.missing:\n if verbose:\n print(f\"{' SWAP':<10} | {str(candidate.dims):<28} | {candidate.missing:<8} | Better than base, replacing\")\n # Replace the last added solution (which was the old base)\n kept_solutions[-1] = candidate\n # Update base for future comparisons in this inner loop\n base = candidate\n else:\n # Otherwise, just drop the candidate\n if verbose:\n print(f\"{' MERGE':<10} | {str(candidate.dims):<28} | {candidate.missing:<8} | Similar to base (dropped)\")\n continue\n\n # CHECK 2: Drop (Supercell Artifact)\n if candidate.is_supercell_of(base, tol=supercell_tol):\n if candidate.missing > base.missing + 2:\n indices_to_skip.add(j)\n ratio = np.round(candidate.dims / base.dims, 1)\n if verbose:\n print(f\"{' DROP':<10} | {str(candidate.dims):<28} | {candidate.missing:<8} | Supercell {ratio}\")\n #if verbose:\n print(f\"Consolidation: {len(kept_solutions)} unique solutions retained from {len(raw_data)} entries.\")\n return kept_solutions\n\nif __name__ == \"__main__\":\n data = [([9, 3], [2, 2, 2, 2], [3, 3, 3, 3], 1),\n ([4, 4, 4, 2, 4], [10, 10, 11, 12, 13], [4, 4, 4, 4, 2], 4),\n ]\n for d in data:\n comp, ids, nums, n = d\n sols = find_wp_assignments(comp, ids, nums)\n print('input: ', d, '\\n', sols)\n\n if False:\n from pyxtal import pyxtal\n from time import time\n np.set_printoptions(precision=4, suppress=True)\n\n xtal = pyxtal()\n data = []\n for cif in [\n #'pyxtal/database/cifs/JVASP-97915.cif', # Fm-3m, 0.9s\n #'pyxtal/database/cifs/JVASP-86205.cif', # Im-3 204, 0.1s\n #'pyxtal/database/cifs/JVASP-28634.cif', # P3m1, 0.1s\n 'pyxtal/database/cifs/JVASP-85365.cif', # P4/mmm, 0.6s\n 'pyxtal/database/cifs/JVASP-62168.cif', # Pnma, 33s\n #'pyxtal/database/cifs/JVASP-98225.cif', # P21/c, 14s\n #'pyxtal/database/cifs/JVASP-50935.cif', # Pm, 10s\n #'pyxtal/database/cifs/JVASP-28565.cif', # Cm, 100s\n #'pyxtal/database/cifs/JVASP-36885.cif', # Cm, 100s\n #'pyxtal/database/cifs/JVASP-42300.cif', # C2, 178s\n #'pyxtal/database/cifs/JVASP-47532.cif', # P2/m,\n #'pyxtal/database/cifs/JVASP-25063.cif', # bad slab\n #'pyxtal/database/cifs/JVASP-119184.cif', # Imm2 44\n #'pyxtal/database/cifs/JVASP-141590.cif', # R-3m 166\n #'pyxtal/database/cifs/JVASP-45907.cif', # R-3m 166\n #'pyxtal/database/cifs/JVASP-119739.cif', # C2/m 12\n ]:\n t0 = time()\n xtal.from_seed(cif)\n xrd = xtal.get_XRD(thetas=[0, 120], SCALED_INTENSITY_TOL=0.5)\n cell_ref = np.sort(np.array(xtal.lattice.encode()))\n long_thetas = xrd.pxrd[:20, 0]\n spg = xtal.group.number\n bravais = get_bravais_lattice(spg)\n print(\"\\n\", cif, xtal.lattice, xtal.group.symbol, spg)\n print(xrd.by_hkl(N_max=20))\n\n # Get the a list of hkl guesses and sort them by d^2\n if bravais > 10:\n N_add, N_batch = 3, 5\n elif bravais > 2:\n N_add, N_batch = 5, 20\n else:\n N_add, N_batch = 8, 20\n\n if bravais >= 7:\n guesses = xtal.group.generate_hkl_guesses(2, 3, 10, max_square=101, total_square=110, verbose=True)\n elif spg >= 3:\n guesses = xtal.group.generate_hkl_guesses(2, 2, 5, max_square=29, total_square=40, verbose=True)\n #guesses = xtal.group.generate_hkl_guesses(2, 2, 2, max_square=29, total_square=40, verbose=True)\n else:\n if bravais == 2: # monoclinic-S\n guesses = xtal.group.generate_hkl_guesses(3, 3, 5, max_square=29, total_square=40, verbose=True)\n else:\n guesses = xtal.group.generate_hkl_guesses(4, 3, 4, max_square=29, total_square=35, verbose=True)\n #guesses = xtal.group.generate_hkl_guesses(3, 3, 3, max_square=15, total_square=36, verbose=True)\n\n guesses = np.array(guesses)\n print(\"Total guesses:\", len(guesses))\n sum_squares = np.sum(guesses**2, axis=(1,2))\n sorted_indices = np.argsort(sum_squares)\n guesses = guesses[sorted_indices]\n if len(guesses) > 500000: guesses = guesses[:500000]\n #guesses = np.array([[[0, 0, 2], [1, 0, 1], [0, 1, 3]]])\n #guesses = np.array([[[2, 0, 0], [1, 1, 0], [0, 0, 2], [2, 0, -2]]])\n #guesses = np.array([[[0, 0, -1], [1, 1, 0], [1, 1, -1], [0, 2, -5]]])\n\n # Check the quality of each (hkl, 2theta) solutions\n cell2 = np.sort(np.array(xtal.lattice.encode()))\n if spg <= 15 and cell2[3] > 90: cell2[3] = 180 - cell2[3]\n\n trial_hkls = generate_possible_hkls(bravais, 100, 100, 100)\n\n # Try each combination of n peaks from the first n+1 peaks\n unique_thetas = get_unique_thetas(xrd, bravais)\n n_peaks = len(guesses[0])\n N = min(n_peaks + N_add, len(unique_thetas))\n available_peaks = unique_thetas[:N]; print(available_peaks)\n\n thetas = []\n for peak_combo in combinations(range(n_peaks + N_add), n_peaks):\n thetas.extend(available_peaks[list(peak_combo)])\n N_thetas = len(thetas) // n_peaks\n thetas = np.array(thetas)\n thetas = np.tile(thetas, N_batch)\n found = False\n d2 = 0\n cell_all = []\n for i in range(len(guesses)//N_batch + 1):\n if i == len(guesses)//N_batch:\n N_batch = len(guesses) - N_batch * i\n if N_batch == 0:\n break\n else:\n thetas = thetas[:N_thetas * n_peaks * N_batch]\n hkls_t = np.tile(guesses[N_batch*i:N_batch*(i+1)], (1, N_thetas, 1))\n hkls_t = np.reshape(hkls_t, (-1, 3))#, order='F')\n solutions = get_cell_from_multi_hkls(bravais, hkls_t, thetas, long_thetas,\n tolerance=0.2,\n use_seed=False,\n trial_hkls=trial_hkls)\n if i % 1000 == 0:\n print(f\"Processed {N_batch*i}/{d2}, found {len(cell_all)} cells.\")\n\n for sol in solutions:\n cell1 = np.sort(np.array(sol['cell']))\n N_mis = len(sol['mis_matched_peaks'])\n guess = sol['id']\n d2 = np.sum(guess**2)\n if len(cell_all) == 0:\n cell_all = np.array([np.sort(np.array(sol['cell']))])\n print(f\"Guess: {guess}, {d2}/{N_mis}/0 -> {cell1}\")\n else:\n diffs = np.sum((cell_all - cell1)**2, axis=1)\n if len(cell_all[diffs < 0.1]) == 0:\n print(f\"Guess: {guess}, {d2}/{N_mis}/{len(cell_all)} -> {cell1}\")\n cell_all = np.vstack((cell_all, cell1))\n if len(cell_all) >= 100 or np.max(cell1) > 100: # stop if find very big cells\n found = True\n break\n\n if found:\n break\n t1 = time()\n data.append((cif, bravais, d2, i*N_batch, len(cell_all), t1-t0))\n\n for d in data:\n print(d)\n\"\"\"\n('pyxtal/database/cifs/JVASP-97915.cif', 225, 11, 1, 0.9944178674744656, 0.8724310398101807)\n('pyxtal/database/cifs/JVASP-86205.cif', 204, 4, 1, 0.9999808799880138, 0.10700225830078125)\n('pyxtal/database/cifs/JVASP-28634.cif', 156, 2, 1, 0.9999999999999456, 0.12210202217102051)\n('pyxtal/database/cifs/JVASP-85365.cif', 123, 16, 11, 0.999999999999978, 0.5885009765625)\n('pyxtal/database/cifs/JVASP-62168.cif', 62, 34, 123, 0.9999999999999891, 32.97966909408569)\n('pyxtal/database/cifs/JVASP-98225.cif', 14, 14, 3, 0.9999291925203678, 35.536349296569824)\n('pyxtal/database/cifs/JVASP-50935.cif', 6, 6, 25, 0.9998350565457528, 11.00560998916626)\n('pyxtal/database/cifs/JVASP-28565.cif', 8, 35, 3824, 0.9995855322890919, 490.50669598579407)\n\n('pyxtal/database/cifs/JVASP-97915.cif', 225, 11, 1, 0.9942656034459425, 0.9070873260498047)\n('pyxtal/database/cifs/JVASP-86205.cif', 204, 4, 1, 0.9997322519800832, 0.09690594673156738)\n('pyxtal/database/cifs/JVASP-28634.cif', 156, 2, 1, 0.9997539680387753, 0.07663106918334961)\n('pyxtal/database/cifs/JVASP-85365.cif', 123, 16, 9, 0.9997570762997596, 0.3383021354675293)\n('pyxtal/database/cifs/JVASP-62168.cif', 62, 34, 15, 0.9997220764747486, 13.73779296875)\n('pyxtal/database/cifs/JVASP-98225.cif', 14, 14, 1, 0.9997723881589121, 21.532269716262817)\n('pyxtal/database/cifs/JVASP-50935.cif', 6, 6, 25, 0.9997130006576738, 10.676042079925537)\n('pyxtal/database/cifs/JVASP-28565.cif', 8, 35, 2885, 0.9995837967820846, 218.40485000610352)\n('pyxtal/database/cifs/JVASP-36885.cif', 6, 5, 25, 0.9997727973911672, 10.984601259231567)\n('pyxtal/database/cifs/JVASP-42300.cif', 5, 25, 1, 0.9993642422227232, 84.00993585586548)\n\"\"\"\n" }, { "path": "pyxtal/__init__.py", "content": "\"\"\"\nPyXtal: A Python library for crystal structure generation and manipulation.\n\nThis module initializes the pyxtal package, providing essential imports and\nutility functions.\n\"\"\"\n\n# Standard Libraries\nimport itertools\nimport json\nfrom copy import deepcopy\n\n# Third-Party Libraries\nimport numpy as np\nfrom ase import Atoms\nfrom math import gcd\nfrom pymatgen.core.structure import Molecule, Structure\n\n# PyXtal Modules\nfrom pyxtal.block_crystal import block_crystal\nfrom pyxtal.crystal import random_crystal\nfrom pyxtal.io import read_cif, structure_from_ext, write_cif\nfrom pyxtal.lattice import Lattice\nfrom pyxtal.molecule import pyxtal_molecule\nfrom pyxtal.operations import SymmOp, apply_ops, get_inverse\nfrom pyxtal.representation import representation, representation_atom\nfrom pyxtal.symmetry import Group, Wyckoff_position\nfrom pyxtal.tolerance import Tol_matrix\nfrom pyxtal.version import __version__\nfrom pyxtal.viz import display_atomic, display_cluster, display_molecular\nfrom pyxtal.wyckoff_site import atom_site, mol_site\nfrom pyxtal.wyckoff_split import wyckoff_split\nfrom pyxtal.database.element import Element\n\n# Uncomment the following line to set the package name\n# name = \"pyxtal\"\n\n\ndef print_logo():\n \"\"\"\n print out the logo and version information\n \"\"\"\n\n print(\n r\"\"\"\n ______ _ _ _\n (_____ \\ \\ \\ / / | |\n _____) ) _ \\ \\/ / |_ ____| |\n | ____/ | | | ) (| _)/ _ | |\n | | | |_| |/ /\\ \\ |_( (_| | |___\n |_| \\__ /_/ \\_\\___)__|_|_____)\n (____/ \"\"\"\n )\n print(\"\\n\")\n print(\"-------------------(version\", __version__, \")--------------------\\n\")\n print(\"A Python package for random crystal generation\")\n print(\"The source code is available at https://github.com/MaterSim/PyXtal\")\n print(\"by Zhu's group at the University of North Carolina at Charlotte\\n\\n\")\n\n\nclass pyxtal:\n \"\"\"\n Class for handling atomic crystals based on symmetry constraints\n\n Examples\n --------\n\n To create a new structure instance\n\n >>> from pyxtal import pyxtal\n >>> struc = pyxtal()\n\n one can either use pyxtal to generate a random symmetric structure\n\n >>> struc.from_random(3, 227, ['C'], [8])\n\n or load a structure from a file or ASE atoms or Pymatgen structure object\n\n >>> struc.from_seed('diamond.cif') # as a string\n >>> struc.from_seed(diamond_ase) # as a ase atoms object\n >>> struc.from_seed(diamond_pymatgen) # as a pymatgen structure object\n\n as long as the struc is created, you can check their symmetry as follows\n\n >>> struc.get_site_labels()\n {'C': ['8a']}\n >>> struc\n ------Crystal from random------\n Dimension: 3\n Composition: C8\n Group: Fd-3m (227)\n cubic lattice: 4.3529 4.3529 4.3529 90.0000 90.0000 90.0000\n Wyckoff sites:\n C @ [0.1250 0.1250 0.1250], WP: 8a, Site symmetry: -4 3 m\n\n The structure object can be easily manipulated via `apply_perturbtation`\n or `subgroup` function\n\n >>> struc2 = struc.subgroup_once(H=141)\n >>> struc2\n ------Crystal from Wyckoff Split------\n Dimension: 3\n Composition: C8\n Group: I41/amd (141)\n tetragonal lattice: 3.3535 3.3535 4.6461 90.0000 90.0000 90.0000\n Wyckoff sites:\n C @ [0.0000 0.2500 0.3750], WP: 4b, Site symmetry: -4 m 2\n\n Alternatively, one can easily compute its XRD via the `pyxtal.XRD` class\n\n >>> xrd = struc.get_XRD()\n >>> xrd\n 2theta d_hkl hkl Intensity Multi\n 32.706 2.738 [ 1 1 1] 100.00 8\n 54.745 1.677 [ 2 2 0] 40.95 12\n 65.249 1.430 [ 3 1 1] 20.65 24\n 81.116 1.186 [ 4 0 0] 5.15 6\n 90.236 1.088 [ 3 3 1] 8.24 24\n 105.566 0.968 [ 4 2 2] 14.44 24\n 115.271 0.913 [ 5 1 1] 10.03 24\n 133.720 0.838 [ 4 4 0] 9.80 12\n 148.177 0.802 [ 5 3 1] 28.27 48\n\n One can also try to get the transition path between two pyxtals\n that are symmetry related via the `get_transition` function\n\n >>> s1 = pyxtal()\n >>> s2 = pyxtal()\n >>> s1.from_seed(\"pyxtal/database/cifs/0-G62.cif\") #structure with low symmetry\n >>> s2.from_seed(\"pyxtal/database/cifs/2-G71.cif\") #structure with high symmetry\n >>> strucs, _, _, _, _ = s2.get_transition(s1) # get the transition from high to low\n >>> strucs\n [\n ------Crystal from Transition 0 0.000------\n Dimension: 3\n Composition: O24Mg4W4Pb8\n Group: Pnma (62)\n orthorhombic lattice: 11.6075 8.0526 5.8010 90.0000 90.0000 90.0000\n Wyckoff sites:\n Mg @ [ 0.8750 0.2500 0.7500], WP [4c] Site [.m.]\n Pb @ [ 0.6406 0.0053 0.7856], WP [8d] Site [1]\n W @ [ 0.6119 0.2500 0.2483], WP [4c] Site [.m.]\n O @ [ 0.6292 0.0083 0.2235], WP [8d] Site [1]\n O @ [ 0.4966 0.2500 0.0093], WP [4c] Site [.m.]\n O @ [ 0.5055 0.2500 0.4897], WP [4c] Site [.m.]\n O @ [ 0.7308 0.2500 0.9717], WP [4c] Site [.m.]\n O @ [ 0.7467 0.2500 0.4570], WP [4c] Site [.m.],\n ------Crystal from Transition 1 0.323------\n Dimension: 3\n Composition: O24Mg4W4Pb8\n Group: Pnma (62)\n orthorhombic lattice: 11.6020 8.0526 5.8038 90.0000 90.0000 90.0000\n Wyckoff sites:\n Mg @ [ 0.8750 0.2500 0.7500], WP [4c] Site [.m.]\n Pb @ [ 0.6250 -0.0053 0.7500], WP [8d] Site [1]\n W @ [ 0.6250 0.2500 0.2500], WP [4c] Site [.m.]\n O @ [ 0.6250 0.0083 0.2500], WP [8d] Site [1]\n O @ [ 0.5158 0.2500 -0.0068], WP [4c] Site [.m.]\n O @ [ 0.5158 0.2500 0.5068], WP [4c] Site [.m.]\n O @ [ 0.7342 0.2500 0.9932], WP [4c] Site [.m.]\n O @ [ 0.7342 0.2500 0.5068], WP [4c] Site [.m.]]\n\n Finally, the structure can be saved to different formats\n\n >>> struc.to_file('my.cif')\n >>> struc.to_file('my_poscar', fmt='poscar')\n\n or to Pymatgen/ASE structure object\n\n >>> pmg_struc = struc.to_pymatgen()\n >>> ase_struc = struc.to_ase()\n\n or to json file\n\n >>> struc.to_json('1.json')\n\n \"\"\"\n\n def __init__(self, molecular=False, random_state=None):\n self.valid = False\n self.molecular = molecular\n self.standard_setting = True\n self.numIons = None\n self.numMols = None\n self.source = None\n self.formula = None\n self.species = None\n self.group = None\n self.lattice = None\n self.dim = 3\n self.factor = 1.0\n self.PBC = [1, 1, 1]\n self.random_state = np.random.default_rng(random_state)\n\n if molecular:\n self.molecules = []\n self.mol_sites = []\n else:\n self.atom_sites = []\n\n def __str__(self):\n if self.valid:\n s = f\"\\n------Crystal from {self.source:s}------\"\n s += f\"\\nDimension: {self.dim}\"\n s += f\"\\nComposition: {self.formula}\"\n # if not self.standard_setting:\n if self.dim < 3:\n symbol = self.group.symbol\n else:\n if self.molecular:\n if len(self.mol_sites) > 0:\n symbol = self.mol_sites[0].wp.get_hm_symbol()\n else:\n if len(self.atom_sites) > 0:\n symbol = self.atom_sites[0].wp.get_hm_symbol()\n s += f\"\\nGroup: {symbol} ({self.group.number})\"\n s += f\"\\n{self.lattice}\"\n s += \"\\nWyckoff sites:\"\n if self.molecular:\n for wyc in self.mol_sites:\n s += f\"\\n\\t{wyc}\"\n else:\n for wyc in self.atom_sites:\n s += f\"\\n\\t{wyc}\"\n else:\n s = \"\\nStructure not available.\"\n return s\n\n def __repr__(self):\n return str(self)\n\n def get_dof(self):\n \"\"\"\n Get the number of dof for the given structures:\n \"\"\"\n sites = self.mol_sites if self.molecular else self.atom_sites\n dof = 0\n for site in sites:\n dof += site.dof\n\n return self.lattice.dof + dof\n\n def get_bounds(self, vec=(2.0, 50.0), ang=(30, 150)):\n \"\"\"\n Get the number of dof for the given structures:\n \"\"\"\n bounds = self.lattice.get_bounds(vec[0], vec[1], ang[0], ang[1])\n sites = self.mol_sites if self.molecular else self.atom_sites\n for site in sites:\n bounds.extend(site.get_bounds())\n return bounds\n\n def get_site_labels(self):\n \"\"\"\n Get the site_labels as a dictionary\n \"\"\"\n if self.molecular:\n sites = self.mol_sites\n names = [site.molecule.name for site in sites]\n else:\n sites = self.atom_sites\n names = [site.specie for site in sites]\n\n dicts = {}\n for name, site in zip(names, sites):\n label = site.wp.get_label()\n if name not in dicts:\n dicts[name] = [label]\n else:\n dicts[name].append(label)\n return dicts\n\n def from_random(\n self,\n dim=3,\n group=None,\n species=None,\n numIons=None,\n factor=1.1,\n thickness=None,\n area=None,\n lattice=None,\n sites=None,\n conventional=True,\n t_factor=1.0,\n max_count=10,\n torsions=None,\n force_pass=False,\n block=None,\n num_block=None,\n seed=None,\n random_state=None,\n tm=None,\n use_hall=False,\n use_asu=False,\n ):\n \"\"\"\n The main function to generate random crystals.\n It calls `block_crystal` or `random_crystal` internally.\n\n Args:\n dim (int): dimension (0, 1, 2, 3)\n group (int): the group number (1-56, 1-75, 1-80, 1-230)\n species (list): atomic symbols for each ion type, e.g., `[\"Ti\", \"O\"]`.\n numIons (list): the number of atoms within the unit cell, e.g., `[4, 8]`.\n factor (float, optional): volume factor to generate the crystal. Default is 1.1\n thickness (float, optional): thickness for 2D materials\n area (float, optional): area for 1D/2D materials.\n lattice (optional): `Lattice `_ to define the cell.\n sites (optional): pre-assigned wyckoff sites (e.g., `[[\"4a\"], [\"2b\"]]`)\n conventional (bool): whether use the conventional setting. Default is True\n t_factor (float): factor applied to tolerance matrix.\n max_count (int): maximum number of attempts to generate structure.\n torsions (list, optional): torsion angles for molecular crystals.\n force_pass (bool, True): whether force accept invalid structure.\n block (optional): molecular/atomic block for crystal building\n num_block (optional): number of blocks\n seed (int, optional): random seed\n random_state (optional): numpy random state\n tm (optional): Tol_matrix define the distances\n use_hall (bool): whether to use Hall number. Default is False\n use_asu (bool): whether to generate points within ASU. Default is False\n\n Returns:\n Crystal structure object if successful\n\n Raises:\n RuntimeError: If structure generation fails after max_count attempts\n \"\"\"\n prototype = \"molecular\" if self.molecular else \"atomic\"\n\n if tm is None:\n tm = Tol_matrix(prototype=prototype, factor=t_factor)\n\n count = 0\n quit = False\n\n while True:\n count += 1\n if self.molecular:\n struc = block_crystal(\n dim,\n group,\n species,\n numIons,\n factor,\n thickness=thickness,\n area=area,\n block=block,\n num_block=num_block,\n lattice=lattice,\n torsions=torsions,\n sites=sites,\n conventional=conventional,\n tm=tm,\n seed=seed,\n random_state=random_state,\n use_hall=use_hall,\n )\n else:\n struc = random_crystal(\n dim=dim,\n group=group,\n species=species,\n numIons=numIons,\n factor=factor,\n thickness=thickness,\n area=area,\n lattice=lattice,\n sites=sites,\n conventional=conventional,\n tm=tm,\n use_hall=use_hall,\n random_state=random_state,\n use_asu=use_asu,\n )\n if force_pass or struc.valid:\n quit = True\n break\n\n if count >= max_count:\n raise RuntimeError(\n \"long time to generate structure, check inputs\")\n\n if quit:\n self.valid = struc.valid\n self.dim = dim\n try:\n self.lattice = struc.lattice\n if self.molecular:\n self.numMols = struc.numMols\n self.molecules = struc.molecules\n self.mol_sites = struc.mol_sites\n wp = self.mol_sites[0].wp\n self.standard_setting = wp.is_standard_setting()\n else:\n self.numIons = struc.numIons\n self.species = struc.species\n self.atom_sites = struc.atom_sites\n self.group = struc.group\n self.PBC = struc.PBC\n self.source = \"random\"\n self.factor = struc.factor\n self._get_formula()\n except:\n pass\n\n return struc\n\n def from_seed(\n self,\n seed,\n molecules=None,\n tol=1e-4,\n a_tol=5.0,\n ignore_HH=True,\n add_H=False,\n backend=\"pymatgen\",\n style=\"pyxtal\",\n hn=None,\n standard=False,\n ):\n \"\"\"\n Load the seed structure from pymatgen/ase/POSCAR/cifs.\n Internally they will be handled by pymatgen.\n\n Args:\n seed: cif/poscar file or a pymatgen Structure object\n molecules: a list of reference molecule (xyz or Pyxtal molecule)\n tol (float): scale factor for covalent bond distance\n ignore_HH (bool): whether ignore short H-H distance in molecules\n add_H (bool): whether add H atoms\n backend (str): structure parser, default is pymatgen\n style (str): ``pyxtal`` or ``spglib``\n standard (bool): whether or not optimize lattice\n hn (int, optional): space group hall number\n a_tol (float): angle tolerance for pymatgen symmetry find.\n standard (bool): whether to use standard setting\n\n \"\"\"\n\n if self.molecular:\n pmols = []\n for mol in molecules:\n if type(mol) == pyxtal_molecule:\n pmols.append(mol)\n else:\n pmols.append(pyxtal_molecule(mol, fix=True))\n # QZ: the default will not work for molecular H2!\n struc = structure_from_ext(\n seed, pmols, ignore_HH=ignore_HH, add_H=add_H, hn=hn)\n self.mol_sites = struc.make_mol_sites()\n self.group = Group(struc.wyc.number)\n self.lattice = struc.lattice\n self.molecules = pmols\n self.numMols = struc.numMols\n self.standard_setting = True\n self.valid = True # Need to add a check function\n if not standard:\n self.optimize_lattice()\n else:\n if isinstance(seed, dict):\n self.from_dict()\n elif isinstance(seed, Atoms): # ASE atoms\n # from pymatgen.io.ase import AseAtomsAdaptor\n # pmg_struc = AseAtomsAdaptor.get_structure(seed)\n from pyxtal.util import ase2pymatgen\n\n pmg_struc = ase2pymatgen(seed)\n self._from_pymatgen(pmg_struc, tol, a_tol, style=style)\n elif isinstance(seed, Structure): # Pymatgen\n self._from_pymatgen(seed, tol, style=style)\n elif isinstance(seed, str):\n if backend == \"pymatgen\":\n pmg_struc = Structure.from_file(seed, primitive=True)\n self._from_pymatgen(pmg_struc, tol, a_tol, style=style)\n else:\n # Need to check\n self.lattice, self.atom_sites = read_cif(seed)\n wp = self.atom_sites[0].wp\n self.group = Group(wp.hall_number, use_hall=True)\n self.standard_setting = wp.is_standard_setting()\n self.valid = True\n self.factor = 1.0\n self.source = \"Seed\"\n self.dim = 3\n self.PBC = [1, 1, 1]\n self._get_formula()\n\n def _from_pymatgen(self, struc, tol=1e-3, a_tol=5.0, style=\"pyxtal\", hn=None):\n \"\"\"\n Load structure from Pymatgen\n should not be used directly\n\n Args:\n struc: input pymatgen structure\n tol: symmetry tolerance\n a_tol: angle tolerance\n style: 'pyxtal' or spglib, differing in the choice of origin\n hn: hall_number\n \"\"\"\n from pyxtal.util import get_symmetrized_pmg\n # import pymatgen.analysis.structure_matcher as sm\n\n self.valid = True\n try:\n sym_struc, number = get_symmetrized_pmg(\n struc, tol, a_tol, style, hn)\n # print(sym_struc); import sys; sys.exit()\n except TypeError:\n print(\"Failed to load the Pymatgen structure\")\n\n if self.valid:\n d = sym_struc.composition.as_dict()\n species = list(d.keys())\n numIons = [int(d[ele]) for ele in species]\n self.numIons = numIons\n self.species = species\n if hn is None:\n self.group = Group(number, style=style)\n else:\n self.group = Group(hn, use_hall=True)\n # print(self.group[0]); import sys; sys.exit()\n matrix, ltype = sym_struc.lattice.matrix, self.group.lattice_type\n self.lattice = Lattice.from_matrix(matrix, ltype=ltype)\n atom_sites = []\n for i, site in enumerate(sym_struc.equivalent_sites):\n pos = site[0].frac_coords\n letter = sym_struc.wyckoff_symbols[i]\n # print(letter)\n wp = Wyckoff_position.from_group_and_letter(\n number, letter, style=style, hn=hn)\n specie = site[0].specie.number\n # if wp.index>0: print(wp)\n pos1 = wp.search_generator(pos, self.group[0], tol=tol)\n if pos1 is not None:\n atom_sites.append(atom_site(wp, pos1, specie))\n else:\n pos1, wp, _ = self.group[0].merge(pos, matrix, 1e-3)\n if pos1 is None:\n print(\"Problem in \", site)\n print(wp.symbol, wp.number, wp.letter, wp)\n print(\"sym_struc_sites\", sym_struc)\n raise RuntimeError(\n \"Cannot extract the mapping from spglib\")\n # break\n else:\n atom_sites.append(atom_site(wp, pos1, specie))\n #print(pos, pos1, self.group[0])\n\n if len(atom_sites) != len(sym_struc.equivalent_sites):\n raise RuntimeError(\"Fail to extract the atom site\")\n self.atom_sites = atom_sites\n # import pymatgen.analysis.structure_matcher as sm\n # self.dim = 3\n # self.PBC = [1, 1, 1]\n # pmg1 = self.to_pymatgen()\n # if not sm.StructureMatcher().fit(struc, pmg1):\n # raise RuntimeError(\"The structure is inconsistent after conversion\")\n\n def are_valid_numIons(self):\n \"\"\"\n Check if the numIons are correct for debugging\n \"\"\"\n\n N = [s.wp.multiplicity for s in self.atom_sites]\n # for s in self.atom_sites: print(s.wp.multiplicity, s.wp.get_label())\n if sum(N) != sum(self.numIons):\n print(\"Inconsistent numIons\", sum(N), self.numIons)\n return False\n else:\n return True\n\n def check_H_coordination(self, r=1.12):\n \"\"\"\n A function to check if H is connected to more than one atom\n Mainly used for debug, powered by pymatgen\n\n Args:\n r: the given cutoff distances\n\n Returns:\n True or False\n \"\"\"\n if self.dim > 0:\n pmg_struc = self.to_pymatgen()\n res = pmg_struc.get_all_neighbors(r)\n for i, neighs in enumerate(res):\n if pmg_struc.sites[i].specie.number == 1 and len(neighs) > 1:\n return True\n else:\n raise NotImplementedError(\"Donot support cluster now\")\n return False\n\n def check_short_distances(self, r=0.7, exclude_H=True):\n \"\"\"\n A function to check short distance pairs\n Mainly used for debug, powered by pymatgen\n\n Args:\n r (float): the given cutoff distances\n exclude_H (bool): whether or not exclude the H atoms\n\n Returns:\n list of pairs within the cutoff\n \"\"\"\n if self.dim > 0:\n pairs = []\n pmg_struc = self.to_pymatgen()\n if exclude_H:\n pmg_struc.remove_species(\"H\")\n res = pmg_struc.get_all_neighbors(r)\n pairs = [\n [pmg_struc.sites[i].specie, n.specie, n.nn_distance] for i, neighs in enumerate(res) for n in neighs\n ]\n else:\n raise NotImplementedError(\"Does not support cluster for now\")\n return pairs\n\n def check_short_distances_by_dict(self, dicts):\n \"\"\"\n A function to check short distance pairs\n Mainly used for debug, powered by pymatgen\n\n Args:\n dicts: e.g., {\"H-H\": 1.0, \"O-O\": 2.0}\n\n Returns:\n N_pairs: number of atomic pairs within the cutoff\n \"\"\"\n if self.dim > 0:\n N_pairs = 0\n r_cut = max([dicts[key] for key in dicts])\n pmg_struc = self.to_pymatgen()\n res = pmg_struc.get_all_neighbors(r_cut)\n for i, neighs in enumerate(res):\n ele1 = pmg_struc.sites[i].specie.value\n for n in neighs:\n ele2 = n.specie.value\n key1 = ele1 + \"-\" + ele2\n key2 = ele2 + \"-\" + ele1\n if (\n key1 in dicts\n and n.nn_distance < dicts[key1]\n or (key1 != key2 and key2 in dicts and n.nn_distance < dicts[key2])\n ):\n N_pairs += 1\n else:\n raise NotImplementedError(\"Does not support cluster for now\")\n return N_pairs\n\n def to_file(\n self,\n filename=None,\n fmt=None,\n permission=\"w\",\n sym_num=None,\n header=\"from_pyxtal\",\n ):\n \"\"\"\n Creates a file with the given name and type. By default,\n creates cif files for crystals and xyz files for clusters.\n For other formats, Pymatgen is used\n\n Args:\n filename (string): the file path\n fmt (string): the file type (`cif`, `xyz`, etc.)\n permission (string): `w` or `a+`\n sym_num (int): number of sym_ops, None will write all symops\n header (string): header\n\n Returns:\n Nothing. Creates a file at the specified path\n \"\"\"\n if self.valid:\n if fmt is None:\n fmt = \"xyz\" if self.dim == 0 else \"cif\"\n\n if fmt == \"cif\":\n if self.dim == 3:\n return write_cif(self, filename, header, permission, sym_num=sym_num)\n else:\n pmg_struc = self.to_pymatgen()\n if self.molecular:\n pmg_struc.sort()\n return pmg_struc.to(fmt=fmt, filename=filename)\n else:\n pmg_struc = self.to_pymatgen()\n if self.molecular:\n pmg_struc.sort()\n return pmg_struc.to(fmt=fmt, filename=filename)\n else:\n raise RuntimeError(\n \"Cannot create file: structure did not generate\")\n\n def supergroup(self, G=None, d_tol=1.0):\n \"\"\"\n Generate a structure with higher symmetry\n\n Args:\n G: super space group number (list of integers)\n d_tol: maximum tolerance\n\n Returns:\n a list of pyxtal structures with minimum super group symmetries\n \"\"\"\n\n from pyxtal.supergroup import supergroup\n\n my_super = supergroup(self, G=G)\n solutions = my_super.search_supergroup(d_tol=d_tol)\n return my_super.make_supergroup(solutions)\n\n def supergroups(self, G=None, d_tol=1.0):\n \"\"\"\n Generate the structures with higher symmetry\n\n Args:\n G: super space group number (list of integers)\n d_tol: maximum tolerance\n\n Returns:\n a list of pyxtal structures with minimum super group symmetries\n \"\"\"\n\n from pyxtal.supergroup import supergroups\n\n sup = supergroups(self, G=G, d_tol=d_tol)\n return sup.strucs\n\n def subgroup(\n self,\n perms=None,\n H=None,\n eps=0.05,\n idx=None,\n group_type=\"t\",\n max_cell=4,\n min_cell=0,\n N_groups=None,\n ):\n \"\"\"\n Generate a structure with lower symmetry\n\n Args:\n perms: e.g., {\"Si\": \"C\"}\n H: space group number (int)\n eps: pertubation term (float)\n idx: list\n group_type (string): `t`, `k` or `t+k`\n max_cell (float): maximum cell reconstruction\n min_cell (float): maximum cell reconstruction\n max_subgroups (int): maximum number of trial subgroups\n\n Returns:\n a list of pyxtal structures with lower symmetries\n \"\"\"\n\n ids, sites, t_types, k_types = self._get_subgroup_ids(\n H, group_type, idx, max_cell, min_cell)\n # randomly choose a subgroup from the available list\n if N_groups is not None and len(ids) >= N_groups:\n ids = self.random_state.choice(ids, N_groups)\n # print('max_sub_group', len(idx), max_subgroups)\n\n valid_splitters = []\n bad_splitters = []\n for idx in ids:\n gtype = (t_types + k_types)[idx]\n if gtype == \"k\":\n idx -= len(t_types)\n splitter = wyckoff_split(\n G=self.group, wp1=sites, idx=idx, group_type=gtype)\n\n if not splitter.error:\n if perms is None:\n if splitter.valid_split:\n special = False\n if self.molecular:\n for i in range(len(self.mol_sites)):\n for ops in splitter.H_orbits[i]:\n if len(ops) < len(splitter.H[0]):\n special = True\n break\n if not special:\n valid_splitters.append(splitter)\n else:\n bad_splitters.append(splitter)\n else:\n bad_splitters.append(splitter)\n else:\n # apply permuation\n if len(splitter.H_orbits) == 1:\n if len(splitter.H_orbits[0]) > 1:\n valid_splitters.append(splitter)\n else:\n bad_splitters.append(splitter)\n else:\n valid_splitters.append(splitter)\n\n if len(valid_splitters) == 0:\n # print(\"try do one more step\")\n new_strucs = []\n for splitter in bad_splitters:\n trail_struc = self._subgroup_by_splitter(splitter, eps=eps)\n if trail_struc is not None:\n new_strucs.extend(trail_struc.subgroup(\n perms, group_type=group_type))\n return new_strucs\n else:\n # print(len(valid_splitters), \"valid_splitters are present\")\n new_strucs = []\n for splitter in valid_splitters:\n # print(splitter)\n if perms is None:\n new_struc = self._subgroup_by_splitter(splitter, eps=eps)\n else:\n new_struc = self._apply_substitution(splitter, perms)\n # if not new_struc.are_valid_numIons(): print(new_struc); import sys; sys.exit()\n new_strucs.append(new_struc)\n return new_strucs\n\n def subgroup_by_path(self, gtypes, ids, eps=0, mut_lat=False):\n \"\"\"\n Generate a structure with lower symmetry (for atomic crystals only)\n\n Args:\n g_types: ['t', 'k']\n idx: list of ids for the splitter\n eps: degree of displacement\n mut_lat: mutate the lattice of not\n\n Returns:\n a pyxtal structure with lower symmetries\n list of splitters\n \"\"\"\n struc = self.copy()\n splitters = []\n G = self.group\n for g_type, id in zip(gtypes, ids):\n _sites = struc.mol_sites if self.molecular else struc.atom_sites\n sites = [site.wp.index for site in _sites]\n # print(G.number, id, g_type, sites)\n splitter = wyckoff_split(G, wp1=sites, idx=id, group_type=g_type)\n struc = struc._subgroup_by_splitter(\n splitter, eps=eps, mut_lat=mut_lat)\n if struc is None:\n return None\n splitters.append(splitter)\n G = splitter.H\n return struc, splitters\n\n def subgroup_once(\n self,\n eps=0.1,\n H=None,\n perms=None,\n group_type=\"t\",\n max_cell=4,\n min_cell=0,\n mut_lat=True,\n ignore_special=False,\n verbose=False,\n ):\n \"\"\"\n Generate a structure with lower symmetry (for atomic crystals only)\n\n Args:\n eps (float): perturbation term on atomic coordinates\n H (int): target space group number\n perms (dict): atomic permutations dictionary, e.g. {\"Si\": \"C\"}\n group_type (str): 't' or 'k' for translationengleiche or klassengleiche transitions\n max_cell (float): maximum cell enlargement\n min_cell (float): minimum cell enlargement\n mut_lat (bool): whether to mutate lattice parameters\n ignore_special (bool): whether to ignore sites with special positions\n verbose (bool): whether to print details\n\n Returns:\n pyxtal: A new pyxtal structure with lower symmetry\n\n Example:\n >>> xtal = pyxtal()\n >>> xtal.from_random(3, 230, ['Si'], [8])\n >>> sub = xta.subgroup_once(H=141)\n >>> print(sub.group.number)\n 141\n \"\"\"\n idx, sites, t_types, k_types = self._get_subgroup_ids(\n H, group_type, None, max_cell, min_cell)\n # print(\"Test subgroup_once\", self.group.number, idx, sites)\n\n if idx is None or len(idx) == 0:\n if verbose:\n msg = \"Cannot find valid splitter (likely due to large cellsize)\"\n print(msg)\n return None\n\n # Try 100 times to see if a valid split can be found\n count = 0\n while count < 100:\n id = self.random_state.choice(idx)\n gtype = (t_types + k_types)[id]\n if gtype == \"k\":\n id -= len(t_types)\n # print(self.group.number, sites, id, gtype, idx)\n splitter = wyckoff_split(\n G=self.group.number, wp1=sites, idx=id, group_type=gtype)\n if not splitter.error:\n if perms is not None:\n if len(splitter.H_orbits) == 1:\n if len(splitter.H_orbits[0]) > 1:\n return self._apply_substitution(splitter, perms)\n else:\n # print(\"try to find the next subgroup\")\n trail_struc = self._subgroup_by_splitter(\n splitter, eps=eps, mut_lat=mut_lat)\n if trail_struc is not None:\n multiple = sum(\n trail_struc.numIons) / sum(self.numIons)\n max_cell = max([1, max_cell / multiple])\n ans = trail_struc.subgroup_once(\n eps, H, perms, group_type, max_cell)\n if ans.group.number > 1:\n return ans\n else:\n return self._apply_substitution(splitter, perms)\n else:\n # print('permuation')\n if splitter.valid_split:\n special = False\n if self.molecular:\n for i in range(len(self.mol_sites)):\n for ops in splitter.H_orbits[i]:\n if len(ops) < len(splitter.H[0]):\n special = True\n break\n if ignore_special:\n return self._subgroup_by_splitter(splitter, eps=eps, mut_lat=mut_lat)\n else:\n if not special:\n return self._subgroup_by_splitter(splitter, eps=eps, mut_lat=mut_lat)\n else:\n # print(\"try to find the next subgroup\")\n trail_struc = self._subgroup_by_splitter(\n splitter, eps=eps, mut_lat=mut_lat)\n if trail_struc is not None:\n multiple = sum(trail_struc.numIons) / \\\n sum(self.numIons)\n max_cell = max([1, max_cell / multiple])\n ans = trail_struc.subgroup_once(\n eps, H, None, group_type, max_cell)\n if ans.group.number > 1:\n return ans\n count += 1\n\n print(\"Cannot find the splitter\")\n return None\n\n def _apply_substitution(self, splitter, perms):\n \"\"\"\n Apply the substitution to the structure based on the splitter\n This function substitutes the atomic species in the structure\n with the given permutations.\n\n Args:\n splitter: wyckoff_splitter object\n perms: dictionary of atomic substitutions, e.g., {\"Si\": \"C\"}\n\n Returns:\n new_struc: a new pyxtal with substituted sites\n \"\"\"\n try:\n new_struc = self._subgroup_by_splitter(splitter)\n except:\n print(self)\n print(splitter)\n print(len(splitter.H_orbits), len(\n splitter.G2_orbits), len(self.atom_sites))\n self._subgroup_by_splitter(splitter)\n\n # Create a list of tuples (site_id, original_specie) for sites that can be substituted\n site_info = [\n (site_id, site.specie) for site_id, site in enumerate(new_struc.atom_sites) if site.specie in perms\n ]\n\n # TODO range isn't inclusive of end number is this intended?\n N = self.random_state.choice(\n range(1, len(site_info))) if len(site_info) > 1 else 1\n sub_indices = self.random_state.choice(\n len(site_info), N, replace=False)\n\n for index in sub_indices:\n site_id, original_specie = site_info[index]\n new_struc.atom_sites[site_id].specie = perms[original_specie]\n\n new_struc._get_formula()\n return new_struc\n\n def _get_subgroup_ids(self, H, group_type, idx, max_cell, min_cell):\n \"\"\"\n Generate the subgroup dictionary\n \"\"\"\n\n # transform from p21/n to p21/n, need to fix later, wp.get_transformation_to_std()\n if not self.standard_setting:\n self.optimize_lattice(standard=True)\n\n if H is not None:\n group_type = \"k\" if Group(\n H, quick=True).point_group == self.group.point_group else \"t\"\n t_types = []\n k_types = []\n if group_type == \"t\":\n dicts = self.group.get_max_t_subgroup()\n t_types = [\"t\"] * len(dicts[\"subgroup\"])\n elif group_type == \"k\":\n dicts = self.group.get_max_k_subgroup()\n k_types = [\"k\"] * len(dicts[\"subgroup\"])\n else:\n dicts = self.group.get_max_t_subgroup()\n dict2 = self.group.get_max_k_subgroup()\n t_types = [\"t\"] * len(dicts[\"subgroup\"])\n k_types = [\"k\"] * len(dict2[\"subgroup\"])\n for key in dicts:\n dicts[key].extend(dict2[key])\n\n Hs = dicts[\"subgroup\"]\n trans = dicts[\"transformation\"]\n\n if idx is None:\n idx = []\n if not self.molecular or self.group.number > 142:\n for i, tran in enumerate(trans):\n if min_cell <= np.linalg.det(tran[:3, :3]) <= max_cell:\n idx.append(i)\n else:\n # for molecular crystals, assume the cell does not change\n for i, tran in enumerate(trans):\n tran = np.abs(tran[:3, :3])\n good = True\n # only accepts trans like [a, b, c] [b, c, a]\n if self.group.number != 5 and abs(abs(np.linalg.det(tran)) - 1) > 1e-3:\n # print(self.group.number, np.linalg.det(tran))\n good = False\n if good:\n # print(np.linalg.det(tran), tran)\n idx.append(i)\n else:\n for id in idx:\n if id >= len(Hs):\n raise ValueError(\n \"The idx exceeds the number of possible splits\")\n\n if H is not None:\n idx = [id for id in idx if Hs[id] == H]\n\n # if len(idx) == 0:\n # raise RuntimeError(\"Cannot find the splitter\")\n\n struc_sites = self.mol_sites if self.molecular else self.atom_sites\n\n sites = [site.wp.get_label() for site in struc_sites]\n\n return idx, sites, t_types, k_types\n\n def _subgroup_by_splitter(self, splitter, eps=0.05, mut_lat=False):\n \"\"\"\n Transform the crystal to subgroup symmetry from a splitter object\n\n Args:\n splitter: wyckoff splitter object\n eps (float): maximum atomic displacement in Angstrom\n mut_lat (bool): whether or not mutate the lattice\n\n Returns:\n new_struc: a new pyxtal structure with lower symmetry\n or None if the transformation fails\n \"\"\"\n # print(splitter)\n lat1 = np.dot(splitter.R[:3, :3].T, self.lattice.matrix)\n\n multiples = np.linalg.det(splitter.R[:3, :3])\n new_struc = self.copy()\n new_struc.group = splitter.H\n try:\n lattice = Lattice.from_matrix(\n lat1, ltype=new_struc.group.lattice_type)\n except:\n self.optimize_lattice()\n lat1 = np.dot(splitter.R[:3, :3].T, self.lattice.matrix)\n try:\n lattice = Lattice.from_matrix(\n lat1, ltype=new_struc.group.lattice_type)\n except:\n # print('problem with splitter, save it to bug.cif')\n # print(splitter)\n # print(self)\n # self.to_file('bug.cif')\n # import sys; sys.exit()\n return None\n\n if mut_lat:\n try:\n lattice = lattice.mutate(degree=eps, frozen=False) # True)\n # print('debug subgroup', mut_lat, eps, lattice)\n except:\n print(\"skip lattice mutation mostly for triclinic system\")\n\n h = splitter.H\n split_sites = []\n if self.molecular:\n # below only works when the cell does not change\n # Fix when a, b, c swaps\n for i, site in enumerate(self.mol_sites):\n pos = site.position\n mol = site.molecule\n ori = site.orientation\n coord0 = np.dot(mol.mol.cart_coords, ori.matrix.T)\n\n wp1 = site.wp\n ori.reset_matrix(np.eye(3))\n id = 0\n for g1s, ops1, ops2 in zip(splitter.G1_orbits[i], splitter.G2_orbits[i], splitter.H_orbits[i]):\n if site.wp.multiplicity == len(self.group[0]):\n # general wyc\n rot = g1s[0].affine_matrix[:3, :3].T\n else:\n # for special wyc, needs to get better treatment\n op = wp1.get_euclidean_generator(\n self.lattice.matrix, id)\n rot = op.affine_matrix[:3, :3].T\n\n # xyz in new lattice\n # coord1 = np.dot(coord0, rot)\n # coord1 = np.dot(coord1, splitter.inv_R[:3,:3].T)\n # coord1 = np.array([np.dot(splitter.R[:3,:3].T, coord) for coord in coord1])\n frac = np.dot(np.dot(coord0, self.lattice.inv_matrix), rot)\n frac = np.dot(frac, splitter.inv_R[:3, :3].T)\n coord1 = np.dot(frac, lattice.matrix)\n\n _mol = mol.copy()\n center = _mol.get_center(coord1)\n _mol.reset_positions(coord1 - center)\n # print('============'); print(_mol.mol.to(fmt='xyz'))\n pos0 = apply_ops(pos, ops1)[0] # ; print(pos0, pos)\n pos0 -= np.floor(pos0)\n dis = (np.random.sample(3) - 0.5).dot(self.lattice.matrix)\n dis /= np.linalg.norm(dis)\n pos0 += eps * dis * (np.random.random() - 0.5)\n wp = Wyckoff_position.from_symops(ops2, h)\n _site = mol_site(_mol, pos0, ori, wp, lattice)\n _site.type = site.type\n split_sites.append(_site)\n id += wp.multiplicity\n new_struc.mol_sites = split_sites\n new_struc.numMols = [int(round(multiples * numMol))\n for numMol in self.numMols]\n\n else:\n for i, site in enumerate(self.atom_sites):\n pos = site.position\n for ops1, ops2 in zip(splitter.G2_orbits[i], splitter.H_orbits[i]):\n pos0 = apply_ops(pos, ops1)[0]\n pos0 -= np.floor(pos0)\n dis = (np.random.sample(3) - 0.5).dot(self.lattice.matrix)\n dis /= np.linalg.norm(dis)\n pos0 += np.dot(eps * dis * (np.random.random() -\n 0.5), self.lattice.inv_matrix)\n wp = Wyckoff_position.from_symops(ops2, h)\n split_sites.append(atom_site(wp, pos0, site.specie))\n\n new_struc.atom_sites = split_sites\n new_struc.numIons = [int(round(multiples * numIon))\n for numIon in self.numIons]\n new_struc.lattice = lattice\n new_struc.source = \"subgroup\"\n\n return new_struc\n\n def apply_perturbation(self, d_lat=0.05, d_coor=0.05, d_rot=1):\n \"\"\"\n Perturb the structure without breaking the symmetry.\n\n Args:\n d_coor (float): Magnitude of perturbation on atomic coordinates (in Angstroms)\n d_lat (float): Magnitude of perturbation on lattice (in percentage)\n d_rot (float): Magnitude of rotational perturbation (in degrees)\n \"\"\"\n\n self.lattice = self.lattice.mutate(degree=d_lat)\n\n if self.molecular:\n for site in self.mol_sites:\n site.perturbate(lattice=self.lattice.matrix,\n trans=d_coor, rot=d_rot)\n else:\n for site in self.atom_sites:\n site.perturbate(lattice=self.lattice.matrix, magnitude=d_coor)\n\n self.source = \"Perturbation\"\n\n def copy(self):\n \"\"\"\n Simply copy the structure.\n \"\"\"\n return deepcopy(self)\n\n def _get_coords_and_species(self, absolute=False, unitcell=True):\n \"\"\"\n Extract the coordinates and species information.\n\n Args:\n absolute (bool): Whether to return cartesian coordinates (True) or\n fractional coordinates (False)\n unitcell (bool): Whether to include full unit cell coordinates or\n just asymmetric unit coordinates\n\n Returns:\n tuple: (coords, species)\n - coords (np.ndarray): N x 3 array of atomic coordinates\n - species (list): List of atomic species corresponding to coords\n \"\"\"\n species = []\n total_coords = None\n if self.molecular:\n for site in self.mol_sites:\n coords, site_species = site.get_coords_and_species(\n absolute, unitcell=unitcell)\n species.extend(site_species)\n total_coords = coords if total_coords is None else np.append(\n total_coords, coords, axis=0)\n else:\n for site in self.atom_sites:\n species.extend([site.specie] * site.multiplicity)\n total_coords = site.coords if total_coords is None else np.append(\n total_coords, site.coords, axis=0)\n\n if absolute:\n total_coords = total_coords.dot(self.lattice.matrix)\n\n return total_coords, species\n\n def _get_formula(self):\n \"\"\"\n A quick function to get the formula.\n \"\"\"\n from pyxtal.database.element import Element\n\n formula = \"\"\n\n if self.molecular:\n numspecies = self.numMols\n species = [str(mol) for mol in self.molecules]\n else:\n specie_list = []\n for site in self.atom_sites:\n specie_list.extend([site.specie] * site.wp.multiplicity)\n if self.species is None:\n species = list(set(specie_list))\n self.species = species\n else:\n species = self.species\n\n numIons = np.zeros(len(species), dtype=int)\n for i, sp in enumerate(species):\n numIons[i] = specie_list.count(sp)\n self.numIons = numIons\n numspecies = self.numIons\n\n for i, s in zip(numspecies, species):\n specie = Element(s).short_name if isinstance(s, int) else s\n formula += f\"{specie:s}{int(i):d}\"\n\n self.formula = formula\n\n def get_reduced_composition(self):\n composition = {}\n divisor = gcd(*self.numIons)\n for i, el in enumerate(self.species):\n composition[el] = self.numIons[i] // divisor\n return composition\n\n def get_min_values(self):\n min_abc = 2.0\n min_volume = 0.0\n divisor = gcd(*self.numIons)\n for i, el in enumerate(self.species):\n num = self.numIons[i] // divisor\n radius = Element(el).covalent_radius\n if min_abc < radius * 2:\n min_abc = 0.6 * Element(el).covalent_radius * 2\n min_volume += (4/3) * np.pi * (radius ** 3) * num\n return min_abc, min_volume\n\n def get_zprime(self, integer=False):\n \"\"\"\n Get zprime for molecular crystal.\n \"\"\"\n mult = len(self.group[0])\n comp = [c / mult for c in self.numMols]\n if integer:\n comp = [int(np.ceil(c)) for c in comp]\n return comp\n\n def get_1D_comp(self):\n \"\"\"\n Get the molecular composition for 1D representation of molecular crystal.\n\n Returns:\n list: Number of molecules of each type in the crystal\n \"\"\"\n comp = [0] * len(self.molecules)\n for s in self.mol_sites:\n for i, m in enumerate(self.molecules):\n if s.molecule.name == m.name:\n comp[i] += 1\n return comp\n\n def get_num_torsions(self):\n \"\"\"\n Get number of torsions for molecular xtal.\n \"\"\"\n N_torsions = 0\n for s in self.mol_sites:\n N_torsions += len(s.molecule.torsionlist)\n return N_torsions\n\n def to_ase(self, resort=True, center_only=False, add_vaccum=True):\n \"\"\"\n Export to ASE Atoms object.\n\n Args:\n resort (bool): Whether to resort atoms by atomic number\n center_only (bool): Only output molecular centers for molecular crystals\n add_vaccum (bool): Whether to add vacuum layers for 0/1/2D systems\n\n Returns:\n ase.Atoms: ASE Atoms object representing the structure\n\n Raises:\n RuntimeError: If structure is not valid\n \"\"\"\n if self.valid:\n if self.dim > 0:\n lattice = self.lattice.copy()\n if self.molecular:\n if center_only:\n coords, species = [], []\n for site in self.mol_sites:\n _coords = site.wp.apply_ops(site.position)\n _coords -= np.floor(_coords)\n coords.extend(_coords.dot(self.lattice.matrix))\n species.extend([site.type + 1] *\n site.wp.multiplicity)\n else:\n coords, species = self._get_coords_and_species(True)\n if add_vaccum:\n latt, coords = lattice.add_vacuum(\n coords, frac=False, PBC=self.PBC)\n else:\n latt = lattice.matrix\n atoms = Atoms(species, positions=coords,\n cell=latt, pbc=self.PBC)\n else:\n coords, species = self._get_coords_and_species()\n coords -= np.floor(coords)\n if add_vaccum:\n latt, coords = lattice.add_vacuum(coords, PBC=self.PBC)\n else:\n latt = lattice.matrix\n atoms = Atoms(species, scaled_positions=coords,\n cell=latt, pbc=self.PBC)\n if resort:\n permutation = np.argsort(atoms.numbers)\n atoms = atoms[permutation]\n return atoms\n\n else:\n coords, species = self._get_coords_and_species(True)\n return Atoms(species, positions=coords)\n else:\n raise RuntimeError(\"No valid structure can be converted to ase.\")\n\n def to_pymatgen(self, resort=True):\n \"\"\"\n Export to Pymatgen Structure object.\n\n Args:\n resort (bool): Whether to resort atoms by atomic number\n\n Returns:\n pymatgen.core.Structure: Structure object representing the crystal\n\n Raises:\n RuntimeError: If structure is not valid\n \"\"\"\n\n if self.valid:\n if self.dim > 0:\n lattice = self.lattice.copy()\n # lattice.reset_matrix(shape)\n coords, species = self._get_coords_and_species()\n if resort:\n permutation = sorted(\n range(len(species)), key=species.__getitem__)\n # permutation = np.argsort(species)\n species = [species[id] for id in permutation]\n coords = coords[permutation]\n # Add space above and below a 2D or 1D crystals\n latt, coords = lattice.add_vacuum(coords, PBC=self.PBC)\n return Structure(latt, species, coords)\n else:\n # Clusters are handled as large molecules\n coords, species = self._get_coords_and_species(True)\n return Molecule(species, coords)\n else:\n raise RuntimeError(\n \"No valid structure can be converted to pymatgen.\")\n\n def to_pyxtal_center(self):\n \"\"\"\n Export molecular crystal to a PyXtal object containing only molecular centers.\n\n Returns:\n pyxtal: New PyXtal object with molecules represented as single atoms at their centers.\n\n Raises:\n RuntimeError: If structure is not a valid molecular crystal.\n \"\"\"\n\n if self.valid and self.molecular:\n new_struc = pyxtal()\n new_struc.lattice = self.lattice.copy()\n newsites = []\n for site in self.mol_sites:\n for i, mol in enumerate(self.molecules):\n if mol.name == site.molecule.name:\n break\n newsites.append(atom_site(site.wp, site.position, i + 1))\n new_struc.atom_sites = newsites\n new_struc.group = self.group\n new_struc.standard_setting = site.wp.is_standard_setting()\n new_struc.numIons = self.numMols\n new_struc.species = []\n for i in range(len(self.molecules)):\n new_struc.species.append(i + 1)\n new_struc.valid = True\n new_struc.factor = 1.0\n new_struc.source = \"Mol. Center\"\n new_struc.dim = self.dim\n new_struc.PBC = self.PBC\n new_struc._get_formula()\n return new_struc\n else:\n raise RuntimeError(\n \"No valid structure can be converted to pymatgen.\")\n\n def get_XRD(self, **kwargs):\n \"\"\"\n Compute the PXRD object.\n\n Args:\n **kwargs: Keyword arguments including:\n wavelength (float): X-ray wavelength, default 1.54184 Å\n thetas (list): 2θ angle range [min, max], default [0, 180]\n preferred_orientation (bool): Whether to apply preferred orientation, default False\n march_parameter (float): March parameter for preferred orientation, default None\n\n Returns:\n XRD: A PyXtal XRD object containing powder diffraction data\n \"\"\"\n from pyxtal.XRD import XRD\n\n return XRD(self.to_ase(), **kwargs)\n\n def optimize_lattice(self, iterations=5, force=False, standard=False):\n \"\"\"\n Optimize the lattice if the cell has bad inclination angles.\n\n Args:\n iterations (int): Maximum number of iterations for optimization\n force (bool): Whether to continue optimization even if converged\n standard (bool): Whether to enforce standard crystallographic setting\n\n Note:\n For monoclinic systems, first optimizes the angles to bring them within\n acceptable ranges. When standard=True, tries to find a transformation to\n put the structure into the standard crystallographic setting.\n \"\"\"\n for _i in range(iterations):\n lattice, trans, opt = self.lattice.optimize_once()\n # print(i, opt, self.lattice, \"->\", lattice)\n if force or opt:\n self.transform(trans)\n else:\n break\n\n # QZ: to check spglib\n if standard and 3 <= self.group.number <= 15 and not self.standard_setting:\n trans1 = self.lattice.get_permutation_matrices()\n trans2 = self.lattice.get_transformation_matrices()\n good_trans = None\n beta_diff = 90\n wp = self.mol_sites[0].wp if self.molecular else self.atom_sites[0].wp\n\n for tran1 in trans1:\n for tran2 in trans2:\n _trans = [tran1, tran2]\n wp0 = wp.copy()\n lat0 = self.lattice.transform_multi(_trans)\n wp0.transform_from_matrices(_trans)\n beta_diff0 = abs(lat0.beta * 180 / np.pi - 90)\n # print(wp0, wp0.is_standard_setting())\n if wp0.is_standard_setting() and beta_diff0 < beta_diff:\n good_trans = _trans\n beta_diff = beta_diff0\n\n if good_trans is not None:\n for tran in good_trans:\n self.transform(tran)\n else:\n print(self.lattice)\n if self.molecular:\n print(self.mol_sites[0].wp)\n else:\n print(self.atom_sites[0].wp)\n msg = \"Cannot find the standard setting\"\n raise RuntimeError(msg)\n\n def update_wyckoffs(self):\n \"\"\"\n Update the Wyckoff positions of all sites.\n \"\"\"\n\n sites = self.mol_sites if self.molecular else self.atom_sites\n\n for site in sites:\n site.update()\n\n def get_std_representation(self, trans):\n \"\"\"\n Perform cell transformation so that the symmetry operations\n follow standard space group notation\n \"\"\"\n pass\n\n def get_1D_representation(self, standard=False):\n \"\"\"\n Get the 1D representation class for molecular crystals\n \"\"\"\n if self.molecular:\n rep = representation.from_pyxtal(self)\n else:\n rep = representation_atom.from_pyxtal(self, standard=standard)\n return rep\n\n def transform(self, trans, lattice=None):\n \"\"\"\n Perform cell transformation and symmetry operation\n\n Args:\n trans: 3*3 matrix\n lattice: pyxtal lattice object\n \"\"\"\n if lattice is None:\n # print(\"perform cell transformation\")\n lattice = self.lattice.transform(trans)\n\n lattice0 = lattice.copy()\n lattice0.reset_matrix()\n\n sites = self.mol_sites if self.molecular else self.atom_sites\n\n for j, site in enumerate(sites):\n pos_abs = np.dot(site.position, self.lattice.matrix)\n pos_frac = pos_abs.dot(lattice.inv_matrix)\n pos_frac -= np.floor(pos_frac)\n wp = site.wp.copy()\n wp.transform_from_matrix(trans, False, update=False)\n\n if self.molecular:\n # Obtain the transformed xyz\n xyz_abs, _ = site._get_coords_and_species(\n absolute=True, first=True)\n xyz_frac = xyz_abs.dot(lattice.inv_matrix)\n xyz_abs = np.dot(xyz_frac, lattice0.matrix)\n\n mol = site.molecule\n ori = site.orientation\n ori.reset_matrix(np.eye(3))\n center = mol.get_center(xyz_abs)\n mol.reset_positions(xyz_abs - center)\n sites[j] = mol_site(mol, pos_frac, ori, wp,\n lattice0, site.type)\n else:\n sites[j] = atom_site(wp, pos_frac, site.specie)\n\n # update the hall number\n for i, site in enumerate(sites):\n if i == 0:\n match_spg, match_hall = site.wp.update()\n if not match_spg:\n hall_numbers = [site.wp.hall_number]\n # site.wp.update_hall(hall_numbers)\n else:\n if not match_spg:\n site.wp.update_hall(hall_numbers)\n else:\n site.wp.update_index()\n # reset the matrix\n wp0 = sites[0].wp\n self.lattice = lattice0\n self.standard_setting = wp0.is_standard_setting()\n self.group = Group(wp0.hall_number, use_hall=True)\n\n def to_json(self, filename=\"pyxtal.json\"):\n \"\"\"\n Save the model as a dictionary\n \"\"\"\n from monty.json import MontyEncoder\n\n dict0 = self.save_dict()\n with open(filename, \"w\") as outfile:\n json.dump(dict0, outfile, cls=MontyEncoder)\n\n def from_json(self, filename):\n \"\"\"\n Load the model from a json file\n \"\"\"\n from monty.serialization import loadfn\n\n data = loadfn(filename)\n self.load_dict(data)\n\n def save_dict(self):\n \"\"\"\n Save the model as a dictionary\n \"\"\"\n if self.molecular:\n sites = [site.save_dict() for site in self.mol_sites]\n else:\n sites = [site.save_dict() for site in self.atom_sites]\n\n return {\n \"lattice\": self.lattice.matrix,\n \"sites\": sites,\n \"group\": self.group.number,\n \"molecular\": self.molecular,\n \"numIons\": self.numIons,\n \"numMols\": self.numMols,\n \"factor\": self.factor,\n \"PBC\": self.PBC,\n \"formula\": self.formula,\n \"source\": self.source,\n \"dim\": self.dim,\n \"valid\": self.valid,\n }\n\n def load_dict(self, dict0):\n \"\"\"\n Load the structure from a dictionary\n \"\"\"\n self.group = Group(dict0[\"group\"], dict0[\"dim\"])\n self.lattice = Lattice.from_matrix(\n dict0[\"lattice\"], ltype=self.group.lattice_type)\n self.molecular = dict0[\"molecular\"]\n self.factor = dict0[\"factor\"]\n self.source = dict0[\"source\"]\n self.dim = dict0[\"dim\"]\n self.PBC = dict0[\"PBC\"]\n self.numIons = dict0[\"numIons\"]\n self.numMols = dict0[\"numMols\"]\n self.valid = dict0[\"valid\"]\n self.formula = dict0[\"formula\"]\n\n if dict0[\"molecular\"]:\n self.molecules = [None] * len(self.numMols)\n sites = [mol_site.load_dict(site) for site in dict0[\"sites\"]]\n # TODO: this for loop makes repeated calls for duplicated molecules\n for msite in sites:\n if self.molecules[msite.type] is None:\n self.molecules[msite.type] = msite.molecule\n self.mol_sites = sites\n else:\n sites = [atom_site.load_dict(site) for site in dict0[\"sites\"]]\n self.atom_sites = sites\n\n def build(self, group, species, numIons, lattice, sites, tol=1e-2, dim=3, use_hall=False):\n \"\"\"\n Build an atomic crystal based on input parameters.\n\n Args:\n group (int): Space group number (1-230), e.g. 225\n species (list): List of atomic species, e.g. ['Na', 'Cl']\n numIons (list): Number of atoms of each species, e.g. [4, 4]\n lattice: Lattice object defining unit cell\n sites (list): List of Wyckoff position dictionaries, one per species\n e.g. [[{\"4a\": [0.0, 0.0, 0.0]}], [{\"4b\": [0.5, 0.5, 0.5]}]]\n tol (float): Tolerance for symmetry finding. Default 0.01\n dim (int): Dimensionality (0-3). Default 3\n use_hall (bool): Whether to use Hall number. Default False\n\n Example:\n >>> from pyxtal.lattice import Lattice\n >>> xtal = pyxtal()\n >>> lat = Lattice.from_para(5.0, 5.0, 5.0, 90, 90, 90, ltype='Cubic')\n >>> xtal.build(225, ['Na', 'Cl'], [4, 4],\n ... lattice=lat,\n ... sites=[[{\"4a\": [0, 0, 0]}], [{\"4b\": [0.5, 0.5, 0.5]}]])\n \"\"\"\n\n from pyxtal.symmetry import choose_wyckoff\n\n if self.molecular:\n raise RuntimeError(\"Cannot support the molecular crystal\")\n\n if type(group) == Group:\n self.group = group\n else:\n self.group = Group(group, dim=dim, use_hall=use_hall)\n\n # Lattica needs some special handling here\n if type(lattice) != Lattice:\n if type(lattice) == np.ndarray:\n ltype = self.group.lattice_type\n if len(lattice) == 3:\n lattice = Lattice.from_matrix(lattice, ltype=ltype)\n elif len(lattice) == 6: # cell para\n [a, b, c, alpha, beta, gamma] = lattice\n lattice = Lattice.from_para(\n a, b, c, alpha, beta, gamma, ltype=ltype)\n else:\n msg = \"Cannot convert the input array to pyxtal.lattice.Lattice\"\n raise ValueError(msg, lattice)\n else:\n msg = \"Cannot convert the input array to pyxtal.lattice.Lattice\"\n raise ValueError(msg, lattice)\n # else:\n # print(lattice, type(lattice), type(lattice)==Lattice, type(lattice)!=Lattice)\n # msg = 'The input lattice needs to be a pyxtal.lattice.Lattice class'\n # raise ValueError(msg, lattice)\n self.lattice = lattice\n self.dim = dim\n self.factor = 1.0\n self.PBC = self.group.PBC\n self.numIons = numIons\n self.species = species\n np.zeros(len(numIons), dtype=int)\n _sites = []\n\n if len(sites) != len(species):\n print(len(sites), len(species))\n raise RuntimeError(\"Inconsistency between sites and species\")\n\n wp0 = self.group[0]\n for sp, wps in zip(species, sites):\n for wp in wps:\n if isinstance(wp, dict): # dict\n for pair in wp.items():\n (key, pos) = pair\n _wp = choose_wyckoff(self.group, site=key)\n if _wp is not False:\n pt = [0.0, 0.0, 0.0] if _wp.get_dof(\n ) == 0 else _wp.get_all_positions(pos)[0]\n _sites.append(atom_site(_wp, pt, sp))\n else:\n raise RuntimeError(\"Cannot interpret site\", key)\n elif len(wp) == 4: # tuple:\n (key, x, y, z) = wp\n _wp = choose_wyckoff(self.group, site=key, dim=dim)\n #print('debug build', key, x, y, z, _wp.get_label())\n if _wp is not False:\n if _wp.get_dof() == 0: # fixed pos\n pt = [0.0, 0.0, 0.0]\n else:\n ans = _wp.get_all_positions([x, y, z])\n pt = ans[0] if ans is not None else None\n #print('debug build', ans, x, y, z)\n # print('debug', ans)\n if pt is not None:\n _sites.append(atom_site(_wp, pt, sp))\n else:\n raise RuntimeError(\"Cannot interpret site\", key)\n else: # List of atomic coordinates\n pt, _wp, _ = wp0.merge(wp, lattice.matrix, tol=tol)\n _sites.append(atom_site(_wp, pt, sp))\n\n self.atom_sites = _sites\n self.standard_setting = True\n self.valid = True\n self.source = \"Build\"\n self._get_formula()\n\n def get_alternatives(self, include_self=True, same_letters=False, ref_lat=None, d_tol=2.0, f_tol=0.15):\n \"\"\"\n Get alternative structure representations.\n\n Args:\n include_self (bool): Whether to include the original structure in the return.\n same_letters (bool): Whether to require the same Wyckoff letters for alternatives.\n ref_lat: Reference lattice for comparison.\n d_tol (float): Tolerance for lattice mismatch.\n f_tol (float): Tolerance for fractional coordinate mismatch.\n\n Returns:\n list: List of alternative pyxtal structures.\n \"\"\"\n if include_self:\n self.wyc_set_id = 0\n new_strucs = [self]\n else:\n new_strucs = []\n\n # the list of wyckoff indices in the original structure\n # e.g. [0, 2, 2, 4] -> [a, c, c, e]\n # ids = [len(self.group)-1-site.wp.index for site in self.atom_sites]\n\n wyc_sets = self.group.get_alternatives()\n No = len(wyc_sets[\"No.\"])\n letters = wyc_sets[\"Transformed WP\"][0]\n if No > 1:\n # skip the first setting since it is identity\n for no in range(1, No):\n add = (wyc_sets[\"Transformed WP\"][no] ==\n letters) if same_letters else True\n if add:\n new_struc = self._get_alternative(\n wyc_sets, no, ref_lat, d_tol, f_tol)\n if new_struc is not None:\n new_strucs.append(new_struc)\n # print(\"Numbers===============\", len(new_strucs)); import sys; sys.exit()\n return new_strucs\n\n def to_standard_setting(self):\n \"\"\"\n A short cut to symmetrize the structure in the stardard setting\n \"\"\"\n if self.molecular:\n pmg = self.to_pymatgen()\n self.from_seed(pmg, molecules=self.molecules, standard=True)\n\n def resort_species(self, species):\n \"\"\"\n Resort the atomic species.\n\n Args:\n species (list): List of element symbols, e.g. ['Si', 'O']\n \"\"\"\n sp1 = deepcopy(species)\n sp1.sort()\n sp2 = deepcopy(self.species)\n sp2.sort()\n if sp1 == sp2:\n self.species = species\n self.resort()\n else:\n ids = []\n for specie in species:\n for j, site in enumerate(self.atom_sites):\n if site.specie == specie and j not in ids:\n ids.append(j)\n self.atom_sites = [self.atom_sites[j] for j in ids]\n self.species = species\n self._get_formula()\n\n def resort(self):\n \"\"\"\n A short cut to resort the sites by self.molecules or self.species\n \"\"\"\n ids = []\n if self.molecular:\n for mol in self.molecules:\n for j, site in enumerate(self.mol_sites):\n if site.molecule.name == mol.name and j not in ids:\n ids.append(j)\n self.mol_sites = [self.mol_sites[j] for j in ids]\n else:\n for specie in self.species:\n for j, site in enumerate(self.atom_sites):\n if site.specie == specie and j not in ids:\n ids.append(j)\n self.atom_sites = [self.atom_sites[j] for j in ids]\n # print(self.atom_sites)\n\n def _get_alternative(self, wyc_sets, index, ref_lat=None, d_tol=2.0, f_tol=0.15):\n \"\"\"\n Get alternative structure representation from Wyckoff position transformation.\n\n Args:\n wyc_sets (dict): Dictionary containing:\n - 'Coset Representative': Symmetry operation strings\n - 'Transformed WP': Transformed Wyckoff positions\n index (int): Index of target Wyckoff set to transform to\n ref_lat (Lattice, optional): Reference lattice for comparison\n d_tol (float, optional): Tolerance for lattice mismatch. Defaults to 2.0\n f_tol (float, optional): Tolerance for fractional coordinate mismatch. Defaults to 0.15\n\n Returns:\n pyxtal: A new pyxtal structure after applying the transformation, or None if invalid\n\n Note:\n Transforms the structure according to the specified Wyckoff set transformation.\n If a reference lattice is provided, checks that the transformed lattice\n matches within the given tolerances.\n \"\"\"\n new_struc = self.copy()\n # xyz_string like 'x+1/4,y+1/4,z+1/4'\n xyz_string = wyc_sets[\"Coset Representative\"][index]\n op = get_inverse(SymmOp.from_xyz_str(xyz_string))\n\n # transform lattice\n R = op.affine_matrix[:3, :3] # rotation\n cell = self.lattice.matrix\n new_lat = Lattice.from_matrix(\n np.dot(R, cell), ltype=self.lattice.ltype)\n # matrix = new_lat.matrix\n if ref_lat is not None:\n d_tol1, f_tol1, a_tol1, switch = new_lat.get_diff(ref_lat)\n if (d_tol1 > d_tol and f_tol1 > f_tol) or (a_tol1 > 15.0) or switch:\n # print('bad setting', new_lat); print(ref_lat)\n return None\n\n # Lattice.from_matrix(matrix, ltype=self.group.lattice_type)\n new_struc.lattice = new_lat\n\n for i, site in enumerate(new_struc.atom_sites):\n id = len(self.group) - site.wp.index - 1\n letter = wyc_sets[\"Transformed WP\"][index].split()[id]\n wp = Wyckoff_position.from_group_and_letter(\n self.group.number, letter)\n pos = op.operate(site.position)\n pos1 = wp.search_generator(pos, self.group[0])\n if pos1 is not None:\n new_struc.atom_sites[i] = atom_site(wp, pos1, site.specie)\n else:\n return None\n # print(pos)\n # print(wp)\n # raise RuntimeError(\"Cannot find the right pos\")\n\n new_struc.source = f\"Alt. Wyckoff Set [{index:d}]: {xyz_string:s}\"\n new_struc.wyc_set_id = index\n\n return new_struc\n\n def _get_alternative_back(self, index):\n \"\"\"\n Get alternative structure representations\n\n Args:\n index: the index of target wyc_set\n\n Returns:\n a new pyxtal structure after transformation\n \"\"\"\n new_struc = self.copy()\n wyc_sets = self.group.get_alternatives()\n\n # xyz_string like 'x+1/4,y+1/4,z+1/4'\n xyz_string = wyc_sets[\"Coset Representative\"][index]\n op = SymmOp.from_xyz_str(xyz_string)\n # op = get_inverse(SymmOp.from_xyz_str(xyz_string))\n letters = wyc_sets[\"Transformed WP\"][0].split()\n letters1 = wyc_sets[\"Transformed WP\"][index].split()\n\n for i, site in enumerate(new_struc.atom_sites):\n # id = len(self.group) - site.wp.index - 1\n letter1 = site.wp.letter\n letter = letters[letters1.index(letter1)]\n # print(\"transition\", letter1, '->', letter)\n wp = Wyckoff_position.from_group_and_index(\n self.group.number, letter)\n pos = op.operate(site.position)\n pos1 = wp.search_generator(pos, self.group[0])\n if pos1 is not None:\n new_struc.atom_sites[i] = atom_site(wp, pos1, site.specie)\n else:\n print(pos)\n print(wp)\n raise RuntimeError(\"Cannot find the right pos\")\n\n new_struc.source = f\"Alt. Wyckoff Set [{index:d}]: {xyz_string:s}\"\n new_struc.wyc_set_id = index\n\n # transform lattice\n R = op.affine_matrix[:3, :3] # rotation\n matrix = np.dot(R, self.lattice.matrix)\n new_struc.lattice = Lattice.from_matrix(\n matrix, ltype=self.group.lattice_type)\n\n return new_struc\n\n def check_distance(self):\n \"\"\"\n Check intermolecular distance for molecular crystal\n \"\"\"\n if self.molecular:\n return all(ms.short_dist() for ms in self.mol_sites)\n return None\n\n def get_density(self):\n \"\"\"\n Compute density\n \"\"\"\n return self.to_pymatgen().density\n\n def has_special_site(self, species=None):\n \"\"\"\n Check if the crystal has a special site\n \"\"\"\n special = False\n if species is None:\n species = self.species\n\n sites = self.mol_sites if self.molecular else self.atom_sites\n\n for msite in sites:\n if self.molecular:\n if msite.wp.index > 0:\n special = True\n break\n else:\n if msite.specie in species and msite.wp.index > 0:\n special = True\n break\n return special\n\n def to_subgroup_zp2(self):\n \"\"\"\n Transform a crystal with zprime from 1 to 2 subgroup representation.\n This function is for molecular crystals only.\n\n Returns:\n pyxtal: A new pyxtal structure in the subgroup setting with general Wyckoff positions\n \"\"\"\n if not self.molecular:\n raise RuntimeError(\"This function is only for molecular crystals\")\n\n if abs(self.get_zprime()[0] - 1.0) > 1e-4:\n raise RuntimeError(\"This function is only for molecular crystals with zprime=1\")\n\n ids, g_type = self.group.path_to_zp2()\n path =[self.random_state.choice(ids)]\n print(g_type, path)\n sub, _ = self.subgroup_by_path(g_type, path, eps=0)\n sub.optimize_lattice()\n sub.source = \"subgroup\"\n\n return sub\n\n def to_subgroup(self, path=None, t_only=True, iterate=False, species=None, verbose=False):\n \"\"\"\n Transform a crystal with special sites to a subgroup representation with general sites.\n\n Args:\n path (list, optional): List of paths to get the general sites. Defaults to None.\n t_only (bool): Whether to use only translationengleiche (t) transitions. Defaults to True.\n iterate (bool): Whether to transform iteratively until all sites are general. Defaults to False.\n species (list, optional): List of atomic species to transform. Defaults to None.\n verbose (bool): Whether to print detailed information during transformation. Defaults to False.\n\n Returns:\n pyxtal: A new pyxtal structure in the subgroup setting with general Wyckoff positions\n\n Note:\n If path is None, the function will compute the path to the general Wyckoff positions.\n If iterate is True, the function will keep transforming until all sites are general.\n Recommended for the use of transforming specical to general sites in molecular crystals.\n \"\"\"\n if not self.standard_setting:\n self.optimize_lattice(standard=True)\n if species is None:\n species = self.species\n\n # Compute the path is needed\n if path is None:\n if self.molecular:\n sites = self.mol_sites\n max_index = max([site.wp.index for site in sites])\n else:\n sites = self.atom_sites\n max_index = max(\n [site.wp.index for site in sites if site.specie in species])\n # print([site.wp.index for site in sites])\n\n path = self.group.short_path_to_general_wp(max_index, t_only)\n if verbose: print(\"Identified path\", path)\n\n if path is not None:\n gtypes, ids = [], []\n for p in path:\n gtypes.append(p[0])\n ids.append(p[1])\n sub, _ = self.subgroup_by_path(gtypes, ids, eps=0)\n sub.optimize_lattice()\n sub.source = \"subgroup\"\n else:\n sub = self.copy()\n\n if iterate and sub.has_special_site():\n sub = sub.to_subgroup()\n\n return sub\n\n def show(self, **kwargs):\n \"\"\"\n Display the crystal .\n \"\"\"\n if self.molecular:\n return display_molecular(self, **kwargs)\n else:\n return display_atomic(self, **kwargs)\n\n def get_free_axis(self):\n \"\"\"\n Check if the a, b, c axis have free parameters\n \"\"\"\n free_axis = self.group.get_free_axis()\n\n for site in self.atom_sites:\n axis = site.wp.get_frozen_axis()\n for ax in axis:\n if ax in free_axis:\n free_axis.remove(ax)\n if len(free_axis) == 0:\n break\n return free_axis\n\n def find_matched_lattice(self, ref_struc, d_tol=2.0, f_tol=0.15):\n \"\"\"\n Compute the displacement w.r.t. the reference structure\n\n Args:\n ref_struc: reference pyxtal structure (assuming the same atomic ordering)\n d_tol: tolerence of mismatch in the absolute scale\n f_tol: tolerence of mismatch in the fractional scale\n\n Returns:\n ref_struc with matched lattice\n \"\"\"\n ref_struc.optimize_lattice()\n l1 = self.lattice\n l2 = ref_struc.lattice\n # print(l1, l2)\n if self.group.number <= 15:\n # QZ: here we enumerate all possible transformations, maybe redundant\n trans_good, _ = l2.search_transformations(l1, d_tol, f_tol)\n # print(l1, l2, len(trans_good)); import sys; sys.exit()\n good_strucs = []\n\n for trans in trans_good:\n ref_struc0 = ref_struc.copy()\n for tran in trans:\n ref_struc0.transform(tran)\n # print(ref_struc0, len(trans))\n if ref_struc0.standard_setting:\n good_strucs.append(ref_struc0)\n # ============================== To remove\n # wp = ref_struc0.atom_sites[0].wp\n # pt = ref_struc0.atom_sites[0].position\n # if wp.is_standard_setting():\n # good_strucs.append(ref_struc0)\n # else:\n # valid, vector = wp.check_translation(pt)\n # if valid:\n # ref_struc0.translate(vector, reset_wp=True)\n # ref_struc0.standard_setting = True\n # good_strucs.append(ref_struc0)\n\n return good_strucs\n else:\n d_tol1, f_tol1, a_tol1, switch = l1.get_diff(l2)\n if d_tol1 > d_tol and f_tol1 > f_tol:\n return []\n else:\n return [ref_struc]\n\n def check_mapping(self, ref_struc):\n \"\"\"\n Compute the displacement w.r.t. the reference structure\n\n Args:\n ref_struc: reference pyxtal structure (assuming the same atom order)\n\n Returns:\n True or False\n \"\"\"\n orders = list(range(len(self.atom_sites)))\n atom_sites = self.atom_sites\n for site1 in atom_sites:\n match = False\n # search for the best match\n for i in orders:\n site2 = ref_struc.atom_sites[i]\n if site1.specie == site2.specie and site1.wp.index == site2.wp.index:\n match = True\n break\n if match:\n orders.remove(i)\n else:\n return False\n return True\n\n def get_disps_single(self, ref_struc, trans, d_tol=1.2):\n \"\"\"\n Compute the displacement w.r.t. the reference structure\n\n Args:\n ref_struc: reference pyxtal structure (assuming the same atom order)\n trans: translation vector\n d_tol: tolerence of mismatch\n\n Returns:\n Atomic displacements in np.array\n translation:\n \"\"\"\n cell1 = self.lattice.matrix\n disps = []\n orders = list(range(len(self.atom_sites)))\n\n atom_sites = self.atom_sites\n for site1 in atom_sites:\n match = False\n\n # search for the best match\n ds = []\n ids = []\n _disps = []\n for i in orders:\n site2 = ref_struc.atom_sites[i]\n if site1.specie == site2.specie and site1.wp.index == site2.wp.index:\n disp, dist = site1.get_disp(site2.position, cell1, trans)\n # strs = \"{:2s} \".format(site1.specie)\n # strs += \"{:6.3f} {:6.3f} {:6.3f}\".format(*site1.position)\n # strs += \" => {:6.3f} {:6.3f} {:6.3f} \".format(*site2.position)\n # strs += \"[{:6.3f} {:6.3f} {:6.3f}] {:6.3f}\".format(*disp, dist)\n # if dist < d_tol*1.2: strs += ' True'\n # print(strs)\n\n if dist < 0.3:\n match = True\n break\n\n if dist < 1.2 * d_tol:\n ds.append(dist)\n ids.append(i)\n _disps.append(disp)\n # print(\"========\", ds, ids, site1.specie, site2.specie)\n if match:\n disps.append(disp)\n orders.remove(i)\n else:\n if len(ds) > 0:\n ds = np.array(ds)\n id = np.argmin(ds)\n disps.append(_disps[id])\n orders.remove(ids[id])\n match = True\n\n # print(match, site1, site2, trans, dist)\n if not match:\n return None, 5.0, False\n\n disps = np.array(disps)\n d = np.max(np.linalg.norm(disps.dot(cell1), axis=1))\n\n return disps, d, True\n\n def get_disps_optim(self, ref_struc, trans, d_tol):\n \"\"\"\n Args:\n ref_struc: reference pyxtal structure (assuming the same atom order)\n trans: translation vector\n d_tol: tolerence of mismatch\n\n Returns:\n Atomic displacements in np.array\n translation:\n \"\"\"\n\n from scipy.optimize import minimize\n\n def fun(tran, ref_struc, d_tol, axis):\n for i in range(3):\n if i not in axis:\n tran[i] = 0\n disp, d, _ = self.get_disps_single(ref_struc, tran, d_tol)\n return d\n\n res = minimize(\n fun,\n trans,\n args=(ref_struc, d_tol, self.axis),\n method=\"Nelder-Mead\",\n options={\"maxiter\": 10},\n )\n # print(\"Best_dist: {:6.3f} [{:6.3f} {:6.3f} {:6.3f}]\".format(res.fun, *res.x))\n disp, d, _ = self.get_disps_single(ref_struc, res.x, d_tol)\n return disp, d, res.x\n\n def get_init_translations(self, ref_struc, tol=0.75):\n \"\"\"\n Compute the displacement w.r.t. the reference structure\n\n Args:\n ref_struc: reference pyxtal structure (assuming the same atom order)\n\n Returns:\n list of possible translations\n \"\"\"\n # print(\"+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++\")\n # print(ref_struc)\n\n axis = self.get_free_axis()\n\n translations = []\n # choose the one and avoid hydrogen is possible\n\n for specie in self.species:\n for site1 in self.atom_sites:\n if site1.specie == specie:\n break\n for i in range(len(self.atom_sites)):\n site2 = ref_struc.atom_sites[i]\n if site1.specie == site2.specie and site1.wp.index == site2.wp.index:\n trans0 = site1.get_translations(site2.position, axis)\n translations.extend(trans0)\n\n # remove close translations\n good_translations = []\n for trans in translations:\n match = False\n for trans_ref in good_translations:\n diff = trans - trans_ref\n diff -= np.rint(diff)\n diff = np.dot(diff, self.lattice.matrix)\n if np.linalg.norm(diff) < tol:\n match = True\n break\n if not match:\n good_translations.append(trans)\n self.axis = axis\n return good_translations\n\n def is_duplicate(self, ref_strucs):\n \"\"\"\n check if the structure is exactly the same\n \"\"\"\n\n lat0 = self.lattice\n pos0 = self.atom_sites[0].position\n for ref_struc in ref_strucs:\n d_tol1, f_tol1, a_tol1, switch = ref_struc.lattice.get_diff(lat0)\n # print(d_tol1, f_tol1, a_tol1, switch); import sys; sys.exit()\n if (d_tol1 + a_tol1) < 1e-3 and not switch:\n tran = np.zeros(\n [3]) if self.group.number > 15 else ref_struc.atom_sites[0].position - pos0\n disp, d, valid = self.get_disps_single(\n ref_struc, -tran, d_tol=0.1)\n # print(self); print(ref_struc), print(\"=====\", d); import sys; sys.exit()\n if d < 1e-3:\n return True\n return False\n\n def get_disps_sets(self, ref_struc, d_tol, d_tol2=0.3, ld_tol=2.0, fd_tol=0.15, keep_lattice=False):\n \"\"\"\n Compute the displacement w.r.t. a reference structure (considering all wycsets)\n\n Args:\n ref_struc: reference pyxtal structure (assuming the same atomic ordering)\n d_tol: maximally allowed atomic displacement\n d_tol2: displacement that allows early termination\n kepp_lattice: whether or not change the WP sets\n\n Returns:\n Atomic displacements in np.array\n \"\"\"\n all_disps = []\n all_trans = []\n all_ds = []\n good_ref_strucs = []\n bad_ref_strucs = []\n # print(ld_tol, fd_tol)\n if keep_lattice:\n ref_strucs_matched = [ref_struc]\n else:\n ref_strucs_matched = self.find_matched_lattice(\n ref_struc, d_tol=ld_tol, f_tol=fd_tol)\n\n for _i, ref_struc_matched in enumerate(ref_strucs_matched):\n ref_strucs_alt = ref_struc_matched.get_alternatives(\n ref_lat=self.lattice, d_tol=ld_tol, f_tol=fd_tol)\n for _j, ref_struc_alt in enumerate(ref_strucs_alt):\n # initial setup\n d_min = 10.0\n disp_min = None\n trans = []\n\n # print('========================', ref_struc_alt)\n # print('=======', i, j, len(ref_strucs_matched), len(ref_strucs_alt))\n # must have the same wp letters and different strucs\n if self.check_mapping(ref_struc_alt):\n # if not ref_struc_alt.is_duplicate(good_ref_strucs+bad_ref_strucs):\n trans = self.get_init_translations(ref_struc_alt)\n\n for _k, tran in enumerate(trans):\n disp, d, valid = self.get_disps_single(\n ref_struc_alt, tran, d_tol)\n if valid and d > 0.3 and len(self.axis) > 0:\n disp, d, tran = self.get_disps_optim(\n ref_struc_alt, tran, d_tol)\n # update\n if d < d_min:\n d_min = d\n disp_min = disp\n trans_min = tran\n\n # strs = \"\\nlattice {:d} wyc {:d} trans {:d}\".format(i, j, k)\n # strs += \"[{:6.3f} {:6.3f} {:6.3f}] {:6.3f}\".format(*tran, d)\n # print(strs)\n\n if d_min < d_tol2: # Return it early\n return disp_min, trans_min, ref_struc_alt, d_min\n elif d_min < d_tol: # add to database\n all_ds.append(d_min)\n all_disps.append(disp_min)\n all_trans.append(trans_min)\n good_ref_strucs.append(ref_struc_alt)\n elif d_min < 5.1: # add bad\n bad_ref_strucs.append(ref_struc_alt)\n\n # choose the best\n # print(\"Good_candiates\", len(good_ref_strucs), \"Bad canidates\", len(bad_ref_strucs))\n if len(all_ds) > 0:\n all_ds = np.array(all_ds)\n id = np.argmin(all_ds)\n if all_ds[id] < d_tol:\n return all_disps[id], all_trans[id], good_ref_strucs[id], all_ds[id]\n else:\n return None, None, None, None\n else:\n return None, None, None, None\n\n return None, None, None, None\n\n def _get_elements_and_sites(self):\n \"\"\"\n Sometimes, the atoms are not arranged in order\n group the elements, sites\n\n Returns:\n elements: ['Si', 'O']\n sites: [['4b'], ['4a','4a']]\n \"\"\"\n elements = []\n sites = []\n for at_site in self.atom_sites:\n e = at_site.specie\n site = at_site.wp.get_label()\n if e not in elements:\n elements.append(e)\n sites.append([site])\n else:\n id = elements.index(e)\n sites[id].append(site)\n return elements, sites\n\n def sort_sites_by_mult(self):\n mults = np.array([site.wp.multiplicity for site in self.atom_sites])\n seq = np.argsort(mults)\n self.atom_sites = [self.atom_sites[i] for i in seq]\n\n def sort_sites_by_numIons(self, seq=None):\n if seq is None:\n seq = np.argsort(self.numIons)\n\n self.atom_sites = [\n site for i in seq for site in self.atom_sites if self.species[i] == site.specie]\n\n def get_transition(self, ref_struc, d_tol=1.0, d_tol2=0.3, N_images=2, max_path=30, both=False):\n \"\"\"\n Get the splitted wyckoff information along a given path:\n\n Args:\n ref_struc: structure with subgroup symmetry\n d_tol: maximally allowed atomic displacement\n d_tol2: displacement that allows early termination\n N_images: number of intermediate images\n max_path: maximum number of paths\n both: whether or not do interpolation along both sides\n\n Returns:\n - strucs:\n - displacements:\n - cell translation:\n - the list of space groups along the path\n - the list of splitters along the path\n \"\"\"\n # ref_struc.sort_sites_by_numIons()\n # self.sort_sites_by_numIons()\n paths = self.group.search_subgroup_paths(ref_struc.group.number)\n if len(paths) == 0:\n print(\"No valid paths between the structure pairs\")\n return None, None, None, None, None\n else:\n Skipped = len(paths) - max_path\n if Skipped > 0:\n paths = paths[:max_path] # sample(paths, max_path)\n\n good_ds = []\n good_strucs = []\n good_disps = []\n good_paths = []\n good_trans = []\n good_splitters = []\n\n for p in paths:\n r = self.get_transition_by_path(\n ref_struc, p, d_tol, d_tol2, N_images, both)\n (strucs, disp, tran, count, sps) = r\n if count == 0:\n # prepare more paths to increase diversity\n add_paths = self.group.add_k_transitions(p)\n for p0 in add_paths:\n r = self.get_transition_by_path(\n ref_struc, p0, d_tol, d_tol2, N_images, both)\n (strucs, disp, tran, count, sps) = r\n if strucs is not None:\n if strucs[-1].disp < d_tol2: # stop\n return strucs, disp, tran, p0, sps\n else:\n good_ds.append(strucs[-1].disp)\n good_disps.append(disp)\n good_paths.append(p0)\n good_strucs.append(strucs)\n good_trans.append(tran)\n good_splitters.append(sps)\n else:\n if strucs is not None:\n if strucs[-1].disp < d_tol2:\n return strucs, disp, tran, p, sps\n else:\n good_ds.append(strucs[-1].disp)\n good_disps.append(disp)\n good_paths.append(p)\n good_strucs.append(strucs)\n good_trans.append(tran)\n good_splitters.append(sps)\n # Early stop\n if len(good_ds) > 5:\n break\n if len(good_ds) > 0:\n # print(\"Number of candidate path:\", len(good_ds))\n good_ds = np.array(good_ds)\n id = np.argmin(good_ds)\n return (\n good_strucs[id],\n good_disps[id],\n good_trans[id],\n good_paths[id],\n good_splitters[id],\n )\n\n if Skipped > 0:\n print(\"Warning: ignore some solutions: \", Skipped)\n\n return None, None, None, p, None\n\n def get_transition_by_path(self, ref_struc, path, d_tol, d_tol2=0.5, N_images=2, both=False):\n \"\"\"\n Get the splitted wyckoff information along a given path:\n\n Args:\n ref_struc: structure with subgroup symmetry\n path: a list of transition path\n d_tol: maximally allowed atomic displacement\n d_tol2: displacement that allows early termination\n N_images: number of intermediate images\n both: interpolation on both sides\n\n Returns:\n - strucs:\n - displacements:\n - cell translation:\n \"\"\"\n import string\n\n # print(\"Searching the transition path.....\", path)\n # Here we only check symbols\n count_match = 0\n elements0, sites_G = self._get_elements_and_sites()\n elements1, sites_H = ref_struc._get_elements_and_sites()\n # resort sites_H based on elements0\n seq = [elements1.index(x) for x in elements0]\n sites_H = [sites_H[i] for i in seq]\n numIons_H = [sum(int(l[:-1]) for l in site) for site in sites_H]\n\n # enumerate all possible solutions\n ids = []\n g_types = []\n G = self.group\n for p in path[1:]:\n dicts, g_type = G.get_max_subgroup(p)\n _ids = []\n for i, sub in enumerate(dicts[\"subgroup\"]):\n tran = dicts[\"transformation\"][i]\n if sub == p and np.linalg.det(tran[:3, :3]) <= 4:\n _ids.append(i)\n ids.append(_ids)\n g_types.append(g_type)\n G = Group(p, quick=True)\n\n # print(ids)\n sols = list(itertools.product(*ids))\n\n # loop over all\n disps = []\n refs = []\n trans = []\n ds = []\n splitters = []\n\n for sol in sols:\n _sites = deepcopy(sites_G)\n G = self.group\n sol = list(sol)\n # mult = 1\n for p, s in zip(path[1:], sol):\n _sites0 = []\n dicts, _ = G.get_max_subgroup(p)\n relation = dicts[\"relations\"][s]\n # tran = dicts['transformation'][s]; mult *= np.linalg.det(tran[:3,:3])\n # add site for each element\n for site in _sites:\n _site = []\n for label in site:\n try:\n index = string.ascii_lowercase.index(label[-1])\n except ValueError: # '8A'\n index = 26\n _site.extend(relation[index])\n _sites0.append(_site)\n _sites = _sites0\n G = Group(p, quick=True)\n # print('============', path, mult)\n\n # match in sites and numbers\n match = True\n for i, site in enumerate(_sites):\n # sites\n if len(site) != len(sites_H[i]):\n # print(\"bad sites\", elements0[i], site, sites_H[i])\n match = False\n break\n # composition\n number = sum(int(l[:-1]) for l in site)\n if number != numIons_H[i]:\n # print(\"bad number\", site, number, numIons_H[i])\n match = False\n break\n # if int(mult) == 2: print(path, _sites0, match)\n # make subgroup\n if match:\n count_match += 1\n s, sps = self.subgroup_by_path(g_types, ids=sol, eps=0)\n if s is not None:\n disp, tran, s, max_disp = ref_struc.get_disps_sets(\n s, d_tol, d_tol2)\n # import sys; sys.exit()\n if disp is not None:\n # early termination\n if max_disp < d_tol2:\n cell = s.lattice.matrix\n strucs = ref_struc.make_transitions(\n disp, cell, tran, N_images, both)\n return strucs, disp, tran, count_match, sps\n else:\n disps.append(disp)\n refs.append(s)\n trans.append(tran)\n ds.append(max_disp)\n splitters.append(sps)\n\n if len(ds) > 0:\n ds = np.array(ds)\n id = np.argmin(ds)\n cell = refs[id].lattice.matrix\n tran = trans[id]\n disp = disps[id]\n sps = splitters[id]\n strucs = ref_struc.make_transitions(\n disp, cell, tran, N_images, both)\n return strucs, disp, tran, count_match, splitters\n\n else:\n return None, None, None, count_match, None\n\n def translate(self, trans, reset_wp=False):\n \"\"\"\n Move the atomic sites along a translation vector.\n\n Args:\n trans (array): 1x3 translation vector array\n reset_wp (bool): Whether to reset Wyckoff positions after translation\n\n Note:\n This operation may change the structure's symmetry\n \"\"\"\n for site in self.atom_sites:\n site.update(site.position + trans, reset_wp=reset_wp)\n\n def make_transitions(self, disps, lattice=None, translation=None, N_images=3, both=False):\n \"\"\"\n Make pyxtals by following atomic displacements.\n\n Args:\n disps (numpy.ndarray): Nx3 array of atomic displacements in fractional coordinates\n lattice (numpy.ndarray, optional): 3x3 cell matrix. Defaults to self.lattice.matrix\n translation (numpy.ndarray, optional): Overall translation vector. Defaults to None\n N_images (int): Number of intermediate images to generate\n both (bool): Whether to interpolate on both sides of the path. Defaults to False\n\n Returns:\n list: List of pyxtal structures along the transition path\n \"\"\"\n N_images = max([N_images, 2])\n cell = self.lattice.matrix\n strucs = []\n\n disps = np.array(disps)\n disps /= N_images - 1\n max_disp = np.max(np.linalg.norm(disps.dot(cell), axis=1))\n l_disps = np.zeros([3, 3]) if lattice is None else (\n lattice - cell) / (N_images - 1)\n\n if translation is None:\n translation = np.zeros([3])\n\n i_list = range(2 * N_images - 1) if both else range(N_images)\n\n for i in i_list:\n struc = self.copy()\n for j, site in enumerate(struc.atom_sites):\n coord = site.position + i * disps[j] + translation\n struc.atom_sites[j].update(coord)\n struc.source = f\"Transition {i:d} {max_disp * i:6.3f}\"\n struc.disp = max_disp * i\n if i >= N_images:\n struc.lattice.set_matrix(\n cell - (i - 2 * (N_images - 1)) * l_disps)\n else:\n struc.lattice.set_matrix(cell + i * l_disps)\n strucs.append(struc)\n return strucs\n\n def get_intermolecular_energy(self, factor=2.0, max_d=10.0):\n \"\"\"\n Get the intermolecular interactions for molecular crystals based on\n atom-atom potentials from:\n\n Reference:\n A. Gavezzotti and G. Filippini, Journal of Physical Chemistry,\n vol. 98, no. 18, pp. 4831-4837 (1994)\n\n Args:\n factor (float): scaling factor applied to van der Waals radii\n max_d (float): maximum distance cutoff\n\n Returns:\n float: Total intermolecular interaction energy\n \"\"\"\n eng = 0\n for i in range(len(self.mol_sites)):\n res = self.get_neighboring_molecules(\n i, factor=factor, max_d=max_d, ignore_E=False)\n eng += np.array(res[-1]).sum()\n return eng\n\n def get_neighboring_molecules(self, site_id=0, factor=1.5, max_d=5.0, ignore_E=True):\n \"\"\"\n For molecular crystals, get the neighboring molecules for a given WP.\n\n Args:\n site_id (int): The index of reference molecular site to analyze\n factor (float): Scaling factor for van der Waals tolerance\n max_d (float): Maximum distance cutoff for finding neighbors\n ignore_E (bool): Whether to ignore energy calculations\n\n Returns:\n tuple: Five lists containing neighbor information:\n min_ds (list): Shortest distances to neighboring molecules\n neighs (list): Cartesian coordinates of neighboring molecules\n comps (list): Molecular types of neighbors\n Ps (list): Binary flags indicating if neighbor is same site (0) or different site (1)\n engs (list): Interaction energies with neighboring molecules\n \"\"\"\n min_ds = []\n neighs = []\n comps = []\n Ps = []\n engs = []\n site0 = self.mol_sites[site_id]\n site0.get_ijk_lists()\n for id0, site1 in enumerate(self.mol_sites):\n if id0 == site_id:\n min_d0, neigh0, P, eng = site0.get_neighbors_auto(\n factor, max_d, ignore_E)\n else:\n min_d0, neigh0, eng = site0.get_neighbors_wp2(\n site1, factor, max_d, ignore_E)\n P = [1] * len(neigh0)\n comp = [site1.type] * len(min_d0)\n neighs.extend(neigh0)\n min_ds.extend(min_d0)\n Ps.extend(P)\n comps.extend(comp)\n engs.extend(eng)\n\n ids = np.argsort(min_ds) if engs[0] is None else np.argsort(engs)\n\n neighs = [neighs[i] for i in ids]\n comps = [comps[i] for i in ids]\n min_ds = [min_ds[i] for i in ids]\n Ps = [Ps[i] for i in ids]\n engs = [engs[i] for i in ids]\n return min_ds, neighs, comps, Ps, engs\n\n def get_spherical_images(self, **kwargs):\n \"\"\"\n Get the spherical image representation of the crystal structure.\n\n Args:\n **kwargs:\n model (str): 'molecule' or 'contacts'\n Other arguments passed to spherical_image()\n\n Returns:\n sph: Spherical image representation object\n \"\"\"\n from pyxtal.descriptor import spherical_image\n\n return spherical_image(self, **kwargs)\n\n def get_neighboring_dists(self, site_id=0, factor=1.5, max_d=5.0):\n \"\"\"\n Get the neighboring molecules and contact pairs for a given Wyckoff position.\n\n Args:\n site_id (int): Index of reference molecular site. Defaults to 0\n factor (float): Scaling factor for van der Waals tolerance. Defaults to 1.5\n max_d (float): Maximum distance cutoff. Defaults to 5.0\n\n Returns:\n tuple:\n - engs (list): Contact energies from atom-atom potentials\n - pairs (list): List of short contact atom pairs\n - dists (list): Corresponding distances for each contact pair\n \"\"\"\n pairs = []\n engs = []\n dists = []\n\n site0 = self.mol_sites[site_id]\n site0.get_ijk_lists()\n for id0, site1 in enumerate(self.mol_sites):\n if id0 == site_id:\n _eng, _pair, _dist = site0.get_neighbors_auto(\n factor, max_d, False, detail=True)\n else:\n _eng, _pair, _dist = site0.get_neighbors_wp2(\n site1, factor, max_d, False, detail=True)\n pairs.extend([p[1] for p in _pair])\n engs.extend(_eng)\n dists.extend(_dist)\n return engs, pairs, dists\n\n def show_mol_cluster(\n self,\n id,\n factor=1.5,\n max_d=4.0,\n plot=True,\n ignore_E=False,\n cmap=\"YlGn\",\n **kwargs,\n ):\n \"\"\"\n Display the local packing environment for a selected molecule.\n \"\"\"\n np.set_printoptions(precision=3)\n min_ds, neighs, comps, Ps, engs = self.get_neighboring_molecules(\n id, factor, max_d, ignore_E)\n print(\"Number of neighboring molecules\", len(engs))\n print(np.array(engs))\n\n if plot:\n import matplotlib.pyplot as plt\n # from scipy.ndimage.filters import gaussian_filter1d\n\n plt.figure()\n x_min, x_max, size = 0, 2.5, 100\n res = (x_max - x_min) / size\n plt.gca()\n x = np.linspace(x_min, x_max, size)\n y = np.zeros([size, 2])\n for d, p in zip(min_ds, Ps):\n j = round(d / res)\n if p == 0:\n y[j, 0] += 1\n else:\n y[j, 1] += 1\n # y[:, 1] = gaussian_filter1d(y[:, 0], 0.2)\n plt.plot(x, y[:, 0], c=\"g\", label=f\"Self({int(sum(y[:, 0])):d})\")\n if np.sum(y[:, 1]) > 1e-1:\n plt.plot(x, y[:, 1], c=\"c\",\n label=f\"Other({int(sum(y[:, 1])):d})\")\n\n cut = min_ds[-1]\n CN = len(min_ds)\n\n plt.axvline(x=cut, c=\"r\", ls=\":\", label=f\"Cutoff_{CN:d}\")\n plt.legend()\n plt.xlim([x_min, x_max])\n plt.xlabel(\"R\")\n plt.ylabel(\"Intensity\")\n plt.show()\n\n site0 = self.mol_sites[id]\n coord0, specie0 = site0._get_coords_and_species(\n absolute=True, first=True)\n molecules = [Molecule(specie0, coord0)]\n\n for neigh, typ in zip(neighs, comps):\n specie0 = self.molecules[typ].mol.atomic_numbers\n molecules.append(Molecule(specie0, neigh))\n\n return display_cluster(molecules, self.lattice.matrix, engs, cmap, **kwargs)\n\n def substitute_1_2(\n self,\n dicts,\n ratio=None,\n group_type=\"t+k\",\n max_cell=4,\n min_cell=0,\n max_wp=None,\n N_groups=None,\n N_max=10,\n criteria=None,\n ):\n \"\"\"\n Derive the BC compounds from A via subgroup relation.\n\n For example:\n - From C to BN\n - From SiO2 to AlPO3\n\n The key is to split A's Wyckoff positions to B and C with respect to composition relation.\n If the current parent crystal doesn't allow splitting, look for the subgroup.\n\n Args:\n dicts (dict): Substitution dictionary, e.g. {\"F\": \"Cl\"}\n ratio (list): Composition ratio list, e.g. [1, 1]\n group_type (str): Type of subgroup:\n - 't': translationengleiche\n - 'k': klassengleiche\n - 't+k': both\n max_cell (float): Maximum cell reconstruction allowed\n min_cell (float): Minimum cell reconstruction allowed\n max_wp (int): Maximum number of Wyckoff positions\n N_groups (int): Maximum number of trial subgroups\n N_max (int): Maximum number of output structures\n criteria (dict): Dictionary of validity criteria\n\n Returns:\n list: List of pyxtal structures after substitution\n\n \"\"\"\n from pyxtal.util import new_struc_wo_energy\n\n if ratio is None:\n ratio = [1, 1]\n xtals = self._substitute_1_2(dicts, ratio)\n xtals = [\n xtal for xtal in xtals if criteria is None or xtal.check_validity(criteria)]\n\n if len(xtals) == 0:\n # print(\"\\nCannot split, look for subgroup representation\")\n subs = self.subgroup(\n group_type=group_type,\n max_cell=max_cell,\n min_cell=min_cell,\n N_groups=N_groups,\n )\n # print(\"Found {:d} subgroup representatios\".format(len(subs)))\n for sub in subs:\n # print(sub)\n _xtals = sub._substitute_1_2(dicts, ratio)\n for _xtal in _xtals:\n if max_wp is not None and len(_xtal.atom_sites) > max_wp:\n continue\n if new_struc_wo_energy(_xtal, xtals):\n add = True\n\n if criteria is not None and not _xtal.check_validity(criteria):\n add = False\n\n if add:\n xtals.append(_xtal)\n print(\"Add substitution\", _xtal.get_xtal_string())\n if len(xtals) == N_max:\n break\n # print('Add {:d} substitutions in subgroup {:d}'.format(len(_xtals), sub.group.number))\n else:\n print(\n f\"Good representation ({len(xtals):d})\", self.get_xtal_string())\n print(f\"Found {len(xtals):d} substitutions in total\")\n return xtals\n\n # , group_type='t', max_cell=4, min_cell=0):\n def _substitute_1_2(self, dicts, ratio=None):\n \"\"\"\n Derive the BC compounds from A via subgroup relation\n For example, from C to BN or from SiO2 to AlPO3.\n The key is to split A's wyckoff site to B and C by w.r.t. composition relation.\n\n Args:\n dicts: e.g., {\"F\": \"Cl\"}\n ratio: e.g., [1, 1]\n group_type (string): `t`, `k` or `t+k`\n max_cell (float): maximum cell reconstruction\n min_cell (float): maximum cell reconstruction\n\n Returns:\n A list of pyxtal structures\n \"\"\"\n from pyxtal.util import split_list_by_ratio\n\n if ratio is None:\n ratio = [1, 1]\n if len(dicts) > 1:\n raise ValueError(\"Only one item allowed in the input dicts\", dicts)\n\n A, [B, C] = next(iter(dicts.items()))\n\n numbers = [\n site.wp.multiplicity for site in self.atom_sites if site.specie == A]\n solutions = split_list_by_ratio(numbers, ratio)\n\n # Output all possible substitutions\n xtals = []\n for group1, _group2 in solutions:\n xtal0 = self.copy()\n count = 0\n for site in xtal0.atom_sites:\n if site.specie == A:\n if count in group1:\n site.specie = B\n else:\n site.specie = C\n count += 1\n xtal0.species = None\n xtal0._get_formula() # update species\n\n # Check if composition matches desired ratio\n comp = xtal0.numIons\n total = sum(comp)\n actual_ratio = [c/total for c in comp]\n target_ratio = [r/sum(ratio) for r in ratio]\n\n # Allow small deviation (0.01) from target ratio\n if all(abs(a - t) < 0.01 for a, t in zip(actual_ratio, target_ratio)):\n xtals.append(xtal0)\n\n return xtals\n\n # idx, sites, t_types, k_types = self._get_subgroup_ids(H, group_type, None, max_cell, min_cell)\n # elements = [site.species for site in self.atom_sites]\n\n # valid_splitters = []\n # for id in idx:\n # gtype = (t_types + k_types)[id]\n # if gtype == 'k': id -= len(t_types)\n # splitter = wyckoff_split(G=self.group, wp1=sites, idx=id, gtype, elements)\n # # QZ: check if there is a redundancy in error and valid_split\n # if not splitter.error and splitter.valid_split:\n # for key in dicts.keys():\n # # check whether the splitter can make valid decomposition\n # # e.g., if we want to make a BN from C\n # # The splitter from 8 to 4+4 is valid\n # # The splitter from 8 to 6+2 is invalid\n # numbers = []\n # for i, wp2 in enumerate(splitter.wp2_lists):\n # if sp.elements[i] == key:\n # for _wp2 in wp2:\n # numbers.append(_wp2.multiplicity)\n # if not get_integer_solutions(numbers, ratio, quick=True):\n # bad_splitter = True\n # break\n # if bad_splitter:\n # continue\n # else:\n # valid_splitters.append(splitter)\n\n # new_strucs = []\n # for splitter in valid_splitters:\n # #print(splitter)\n # new_struc = self._apply_substitution(splitter, perms)\n # new_strucs.append(new_struc)\n # return new_strucs\n\n def substitute(self, dicts):\n \"\"\"\n Substitute atoms of one element with another element.\n\n Args:\n dicts (dict): Dictionary mapping original elements to substituted elements.\n\n Example\n --------\n >>> struc = pyxtal()\n >>> struc.from_prototype(\"rocksalt\")\n >>> struc.substitute({\"Cl\": \"F\"})\n\n \"\"\"\n pmg = self.to_pymatgen()\n pmg.replace_species(dicts)\n self.from_seed(pmg)\n\n def remove_species(self, species):\n \"\"\"\n To remove the atom_sites by specie name\n Args:\n dicts: e.g., [\"O\"]\n \"\"\"\n numIons = []\n new_species = []\n sites = []\n count = 0\n for site in self.atom_sites:\n sp = site.specie\n if sp not in species:\n num = site.wp.multiplicity\n sites.append(site)\n if sp in new_species:\n id = new_species.index(sp)\n numIons[id] += num\n else:\n new_species.append(sp)\n numIons.append(num)\n count += num\n struc = self.copy()\n struc.atom_sites = sites\n struc.numIons = numIons\n struc.species = new_species\n struc.resort()\n return struc\n\n def substitute_linear(self, dicts):\n \"\"\"\n Linear substitution between a single atom and a linear block.\n For example, substituting SiO2 with Zn(CN)2.\n\n Args:\n dicts (dict): Dictionary mapping original atoms to substituted atoms.\n For example: {\"Si\": [\"Zn\"], \"O\": [\"C\", \"N\"]}\n \"\"\"\n from ase.neighborlist import neighbor_list\n\n if not hasattr(self, \"cutoff\"):\n self.set_cutoff()\n cutoff = self.cutoff\n\n atoms = self.to_ase(resort=False)\n (id1, id2, shifts) = neighbor_list(\"ijS\", atoms, cutoff)\n\n self.lattice = self.lattice.scale(1.5)\n matrix = self.lattice.matrix\n numIons = []\n species = []\n sites = []\n count = 0\n for site in self.atom_sites:\n sp = site.specie\n if sp in dicts:\n if len(dicts[sp]) == 1:\n e = dicts[sp][0]\n sites.append(site.substitute_with_single(e))\n if e in species:\n id = species.index(e)\n numIons[id] += site.wp.multiplicity\n else:\n species.append(e)\n numIons.append(site.wp.multiplicity)\n else:\n eles = dicts[sp]\n ids = id2[id1 == count] # index of ids\n neighbors = atoms.positions[ids] + \\\n shifts[id1 == count].dot(atoms.cell)\n direction = neighbors[1] - neighbors[0]\n direction /= np.linalg.norm(direction)\n s1, s2 = site.substitute_with_linear(\n eles, direction, matrix)\n for e in eles:\n if e in species:\n id = species.index(e)\n numIons[id] += site.wp.multiplicity\n else:\n species.append(e)\n numIons.append(site.wp.multiplicity)\n sites.append(s1)\n sites.append(s2)\n else:\n sites.append(site)\n count += site.wp.multiplicity\n\n struc = self.copy()\n struc.atom_sites = sites\n struc.numIons = numIons\n struc.species = species\n struc.resort()\n return struc\n\n def remove_water(self):\n \"\"\"\n Remove water from hydrates\n \"\"\"\n molecules = []\n numMols = []\n sites = []\n for i, m in enumerate(self.molecules):\n symbols = deepcopy(m.symbols)\n symbols.sort()\n if len(symbols) != 3 and symbols != [\"H\", \"H\", \"O\"]:\n molecules.append(m)\n numMols.append(self.numMols[i])\n\n for site in self.mol_sites:\n symbols1 = site.molecule.symbols\n for i, m in enumerate(molecules):\n symbols2 = m.symbols\n if len(symbols1) == len(symbols2) and symbols1 == symbols2:\n site.type = i\n sites.append(site)\n # print(\"add sites\", i, m)\n break\n\n self.molecules = molecules\n self.numMols = numMols\n self.mol_sites = sites\n\n def substitute_molecules(self, smiles):\n \"\"\"\n Substitute the molecules in the structure with new molecules based on SMILES strings.\n\n Args:\n smiles (list): List of SMILES strings for the new molecules.\n \"\"\"\n if not self.molecular:\n raise ValueError(\"Cannot substitute molecules for non-molecular structures\")\n\n if len(self.molecules) != len(smiles):\n raise ValueError(\"Number of SMILES must match number of molecules in the structure\")\n\n #rep = self.get_1D_representation()\n #rep.\n #rep1 = representation(x, smiles)\n\n def set_cutoff(self, exclude_ii=False, value=None):\n \"\"\"\n get the cutoff dictionary\n\n Args:\n exclude_ii (bool): whether or not exclude A-A distance\n value (float): cutoff distance\n \"\"\"\n cutoff = {}\n tm = Tol_matrix(prototype=\"molecular\")\n for i in range(len(self.species)):\n s1 = self.species[i]\n for j in range(i, len(self.species)):\n s2 = self.species[j]\n select = True\n if exclude_ii and s1 == s2:\n select = False\n if select:\n tuple_elements = (s1, s2)\n if value is None:\n cutoff[tuple_elements] = tm.get_tol(s1, s2)\n else:\n cutoff[tuple_elements] = value\n\n self.cutoff = cutoff\n\n def set_site_coordination(self, cutoff=None, verbose=False, exclude_ii=False):\n \"\"\"\n Compute the coordination number from each atomic site\n \"\"\"\n from ase.neighborlist import neighbor_list\n\n # if not hasattr(self, 'cutoff'):\n self.set_cutoff(exclude_ii, cutoff)\n my_cutoff = self.cutoff\n\n if verbose:\n print(\"\\n The cutoff values for CN calculation are\")\n print(my_cutoff)\n\n atoms = self.to_ase(resort=False)\n NL = neighbor_list(\"i\", atoms, my_cutoff)\n coords = np.bincount(NL)\n\n count = 0\n for site in self.atom_sites:\n if count >= len(coords):\n site.coordination = 0\n else:\n site.coordination = coords[count]\n count += site.multiplicity\n\n def get_dimensionality(self, cutoff=None):\n \"\"\"\n A quick wrapper to compute dimensionality from pymatgen\n https://pymatgen.org/pymatgen.analysis.dimensionality.html\n The dimensionality of the structure can be 1/2/3\n \"\"\"\n from pymatgen.analysis.dimensionality import get_dimensionality_gorai\n\n if cutoff is None:\n if not hasattr(self, \"cutoff\"):\n self.set_cutoff()\n cutoff = self.cutoff\n\n return get_dimensionality_gorai(self.to_pymatgen(), bonds=cutoff)\n\n def from_CSD(self, csd_code):\n \"\"\"\n Download the crystal from CCDC\n if csd_code is given, return the single pyxtal object\n if csd_family is given, do group analysis and ignore high pressure form\n\n Args:\n csd_code: e.g., ``ACSALA01``\n\n \"\"\"\n from pymatgen.core.periodic_table import Element\n from pymatgen.io.cif import CifParser\n\n from pyxtal.msg import CSDError, ReadSeedError\n from pyxtal.util import get_struc_from__parser, process_csd_cif\n\n try:\n from ccdc import io\n except:\n msg = \"No CSD-python api is available\"\n raise CSDError(msg)\n try:\n from rdkit import Chem\n except:\n msg = \"No rdkit is available\"\n raise CSDError(msg)\n\n try:\n entry = io.EntryReader(\"CSD\").entry(csd_code)\n except:\n msg = \"Unknown CSD entry: \" + csd_code\n raise CSDError(msg)\n\n if entry.has_3d_structure:\n smi = entry.molecule.smiles\n if smi is None:\n raise CSDError(\"No smile from CSD\")\n\n if len(smi) > 350:\n raise CSDError(f\"long smile {smi:s}\")\n if Chem.MolFromSmiles(smi) is None:\n raise CSDError(f\"problematic smiles: {smi:s}\")\n\n cif = entry.to_string(format=\"cif\")\n smiles = [s + \".smi\" for s in smi.split(\".\")]\n\n # remove duplicates\n smiles = list(set(smiles))\n smi1 = \"\"\n for i, s in enumerate(smiles):\n smi1 += s[:-4]\n if i + 1 < len(smiles):\n smi1 += \".\"\n\n self.tag = {\n \"smiles\": smi1,\n \"csd_code\": csd_code,\n \"ccdc_number\": entry.ccdc_number,\n # 'publication': entry.publication,\n }\n\n cif = process_csd_cif(cif) # , remove_H=True)\n # print(cif)\n try:\n parser = CifParser.from_str(cif, occupancy_tolerance=2.0)\n pmg = get_struc_from__parser(parser)\n # pmg = Structure.from_str(cif, fmt='cif')\n except:\n print(cif)\n msg = \"Problem in parsing CSD cif\"\n raise CSDError(msg)\n\n organic = True\n for ele in pmg.composition.elements:\n if ele.symbol == \"D\":\n pmg.replace_species({ele: Element(\"H\")})\n elif ele.value not in \"C Si H O N S F Cl Br I P\".split(\" \"):\n organic = False\n break\n\n if not organic:\n msg = \"Cannot handle the organometallic entry from CSD: \"\n msg += entry.formula\n raise CSDError(msg)\n try:\n self.from_seed(pmg, smiles)\n except ReadSeedError:\n try:\n # print(\"Add_H=============================================\")\n self.from_seed(pmg, smiles, add_H=True)\n except:\n msg = f\"unknown problems in Reading CSD {csd_code:s} {smi:s}\"\n raise CSDError(msg)\n except:\n msg = f\"unknown problems in Reading CSD {csd_code:s} {smi:s}\"\n raise CSDError(msg)\n self.source = \"CSD: \" + csd_code\n else:\n msg = csd_code + \" does not have 3D structure\"\n raise CSDError(msg)\n\n # check if the dumped cif is correct\n cif0 = self.to_file()\n try:\n Structure.from_str(cif0, fmt=\"cif\")\n except:\n print(cif0)\n raise CSDError(\"Cif Error\")\n # import sys; sys.exit()\n # ====================\n\n # check if the structure is consistent with the origin\n # pmg0 = self.to_pymatgen() #shape='lower')\n # if remove_H:\n # print(\"REMOVE H\")\n # pmg.remove_species('H')\n # pmg0.remove_species('H')\n # import pymatgen.analysis.structure_matcher as sm\n # if not sm.StructureMatcher().fit(pmg0, pmg):\n # pmg = Structure.from_str(cif, fmt='cif')\n # #pmg0 = Structure.from_str(self.to_file(), fmt='cif')\n # pmg0 = Structure.from_str(pmg0.to(fmt='cif'), fmt='cif')\n # print(cif)\n # print(self)\n # print(pmg0)\n # pmg0.remove_species('H'); pmg0.remove_species('O')\n # pmg.remove_species('H'); pmg.remove_species('O')\n # #print(pmg0.to(fmt='cif'))\n # print(sm.StructureMatcher().fit(pmg0, pmg))\n # print(pmg) #reference\n # print(pmg0) #pyxtal\n # #print(cif)\n # #print(self.to_file())\n # print(\"Wrong\", csd_code); import sys; sys.exit()\n\n\n def get_structure_factor(self, hkl, coeffs=None):\n \"\"\"\n Compute the structure factor for a given hkl plane\n\n Args:\n - hkl: three indices hkl plane\n - coeffs (N lengths): Atomic scatering factors\n \"\"\"\n coords, species = self._get_coords_and_species()\n g_dot_rs = np.dot(coords, np.array(hkl))\n F = np.exp(-2 * np.pi * (1j) * g_dot_rs)\n if coeffs is not None:\n F *= coeffs\n return F.sum()\n\n def to_molecular_xtal(self, molecules, oris=None, reflects=None):\n \"\"\"\n Convert the atomic xtal to molecular xtal\n the input molecules must have the same length of the self.atom_sites\n \"\"\"\n if not self.molecular:\n xtal = pyxtal(molecular=True)\n # updates mol_sites\n sites = []\n for i, site in enumerate(self.atom_sites):\n ori = [0, 0, 0] if oris is None else oris[i]\n reflect = False if reflects is None else reflects[i]\n sites.append(site.to_mol_site(\n self.lattice, molecules[i], ori=ori, reflect=reflect))\n xtal.lattice = self.lattice\n xtal.group = self.group\n xtal.mol_sites = sites\n xtal.numMols = [sum([wp.multiplicity for wp in self.atom_sites])]\n xtal._get_formula()\n xtal.valid = True\n xtal.source = \"Center\"\n return xtal\n else:\n raise RuntimeError(\"The input must be molecular xtal\")\n\n def to_atomic_xtal(self):\n \"\"\"\n Convert the molecular\n \"\"\"\n if self.molecular:\n xtal = pyxtal()\n sites = []\n for i, site in enumerate(self.mol_sites):\n sites.append(site.to_atom_site(i + 1))\n xtal.lattice = self.lattice\n xtal.group = self.group\n xtal.atom_sites = sites\n xtal._get_formula()\n xtal.valid = True\n xtal.source = \"Mol. Center\"\n return xtal\n else:\n raise RuntimeError(\"The input must be molecular xtal\")\n\n def get_forcefield(self, ff_style=\"openff\", code=\"lammps\", chargemethod=\"am1bcc\", parameters=None):\n \"\"\"\n An interface to create forcefield for molecular simulation with\n - Charmm\n - LAMMPS\n Note that the current approach generates charge with its own conformer,\n need to provide the option to use the conformer from the given molecule\n\n Args:\n - ff_style: ``gaff`` or ``openff``\n - code: ``lammps`` or ``charmm``\n - charge_method: ``am1bcc``, ``am1-mulliken``, ``mmff94``, ``gasteiger``\n - parameters: 1D-array of user-specified FF parameters\n\n Returns:\n An ase_atoms_objects with force field information\n \"\"\"\n from pyocse.charmm import CHARMMStructure\n from pyocse.forcefield import forcefield\n from pyocse.interfaces.parmed import ParmEdStructure\n from pyocse.lmp import LAMMPSStructure\n\n if self.molecular:\n smiles = [mol.smile for mol in self.molecules]\n assert smiles[0] is not None\n\n # Lammps needs the xyz for all molecules\n if code == \"lammps\":\n # reset lammps cell\n from pyxtal.util import reset_lammps_cell\n\n atoms = self.to_ase(resort=False)\n atoms = reset_lammps_cell(atoms)\n converter = LAMMPSStructure\n n_mols = self.numMols\n\n # Charmm only needs the xyz for the asymmetric unit\n else:\n converter = CHARMMStructure\n coords, species = [], []\n checked = []\n for site in self.mol_sites:\n if site.type not in checked:\n _coords, _species = site._get_coords_and_species(\n absolute=True, first=True)\n coords.extend(_coords)\n species.extend(_species)\n checked.append(site.type)\n n_mols = [1] * len(self.molecules)\n atoms = Atoms(symbols=species, positions=coords)\n\n # print(len(atoms), n_mols)\n # Initialize the forcefield instance from pyocse\n ff = forcefield(smiles, style=ff_style, chargemethod=chargemethod)\n\n # update the parameters from the user\n if parameters is not None:\n ff.update_parameters(parameters)\n\n # Create the Parmed to handle FF parameters\n if sum(n_mols) == 1:\n pd_struc = ff.molecules[0].copy(cls=ParmEdStructure)\n else:\n from functools import reduce\n from operator import add\n\n mols = []\n for i, m in enumerate(n_mols):\n mols += [ff.molecules[i] * m]\n pd_struc = reduce(add, mols)\n pd_struc.update(atoms)\n\n ase_with_ff = converter.from_structure(pd_struc)\n if code == \"lammps\":\n print(\"\\n Write lmp.in and lmp.dat ......\")\n ase_with_ff.write_lammps()\n else:\n print(\"\\n Write charmm.rtf and charmm.prm ......\")\n ase_with_ff.write_charmmfiles()\n # ase_with_ff.write_charmmfiles_by_parmd()\n\n return ase_with_ff\n else:\n raise NotImplementedError(\"\\nNo support for atomic crystals\")\n\n def update_from_1d_rep(self, x):\n \"\"\"\n Update the crystal from a 1D representation.\n\n The 1D representation combines lattice parameters and atomic coordinates into a\n single array. For example:\n\n >>> Group I 41/a m d:2 (141)\n Lattice: 2.5019, 2.5019, 8.7534, 90.0000, 90.0000, 90.0000\n Site: C @ [0.0000 0.2500 0.4614], WP [8e], Site [2mm.]\n Would be represented as: [2.5019, 8.7514, 0.4614]\n\n Args:\n x (numpy.ndarray): 1D array containing lattice parameters and atomic coordinates\n \"\"\"\n N = self.lattice.dof\n cell, pos = x[:N], x[N:]\n\n try:\n # update cell\n self.lattice.update_from_1d_representation(cell)\n except:\n self.lattice = None\n return\n #l_type = self.lattice.ltype\n #self.lattice = Lattice.from_1d_representation(cell, l_type)\n # print(\"lattice dof\", N, cell, l_type, self.lattice)\n\n # update position\n start = 0\n for site in self.atom_sites:\n end = start + site.wp.get_dof()\n xyz = site.wp.get_position_from_free_xyzs(pos[start:end])\n site.update(xyz)\n start = end\n # xtal.to_ase().write('init.vasp', vasp5=True, format='vasp', direct=True)\n\n def get_1d_rep_x(self):\n \"\"\"\n Get a simplified x representation for a crystal\n\n Example:\n >>> Group: I 41/a m d:2 (141)\n 2.5019, 2.5019, 8.7534, 90.0000, 90.0000, 90.0000, tetragonal\n Wyckoff sites:\n C @ [ 0.0000 0.2500 0.4614], WP [8e] Site [2mm.]\n The above rep would be: [2.5019, 8.7514, 0.4614]\n \"\"\"\n\n rep = self.get_1D_representation(standard=True)\n cell, xyzs = rep.x[0][1:], rep.x[1:]\n x = cell\n for xyz in xyzs:\n if len(xyz) > 2:\n x = np.hstack((x, xyz[2:]))\n return x\n\n def from_spg_wps_rep(self, spg, wps, x, elements=None):\n \"\"\"\n Build a pyxtal structure from Wyckoff positions and compact 1D representation.\n\n Args:\n spg (int): Space group number (1-230)\n wps (list): List of Wyckoff position strings (e.g. ['6a', '6a'])\n x (array): 1D array containing lattice parameters and coordinates\n elements (list, optional): List of element symbols. Defaults to [\"C\"]*len(wps)\n\n Example:\n >>> xtal = pyxtal()\n >>> xtal.from_spg_wps_rep(141, ['6a', '6a'], [2.5019, 8.7514, 0.4614])\n >>> xtal\n ------Crystal from Build------\n Dimension: 3\n Composition: C8\n Group: I 41/a m d:2 (141)\n 2.5019, 2.5019, 8.7514, 90.0000, 90.0000, 90.0000, tetragonal\n Wyckoff sites:\n\t C @ [ 0.0000 0.7500 0.1250], WP [4a] Site [-4m2]\n\t C @ [ 0.0000 0.7500 0.1250], WP [4a] Site [-4m2]\n \"\"\"\n if elements is None:\n elements = [\"C\"] * len(wps)\n group = Group(spg)\n sites = []\n for i, _wp in enumerate(wps):\n if type(_wp) is int:\n sites.append((elements[i], group[_wp]))\n else:\n letter = _wp[-1]\n for wp in group:\n if wp.letter == letter:\n sites.append((elements[i], wp))\n break\n self.from_1d_rep(x, sites)\n\n def from_1d_rep(self, x, sites, dim=3):\n \"\"\"\n Build a pyxtal structure from a 1D representation and sites list.\n\n Args:\n x (array): 1D array containing lattice parameters and coordinates\n sites (list): List of (element, wyckoff_position) tuples\n dim (int): Dimensionality of the crystal (default: 3)\n\n Example:\n >>> from pyxtal.symmetry import Wyckoff_position\n >>> xtal = pyxtal()\n >>> x = [2.5, 8.75] # Lattice params and coords\n >>> wp = Wyckoff_position.from_group_and_letter(141, 'a')\n >>> sites = [(\"C\", wp), (\"C\", wp)] # [C, 4a], [C, 4a]\n >>> xtal.from_1d_rep(, sites=[(\"C\", wp), (\"C\", wp)])\n \"\"\"\n l_type = sites[0][1].lattice_type\n N = sum(Lattice.get_dofs(l_type))\n cell, pos = x[:N], x[N:]\n lat = Lattice.from_1d_representation(cell, l_type)\n\n species, numIons = [], []\n total_sites = []\n\n start = 0\n for site in sites:\n (specie, _wp) = site\n end = start + _wp.get_dof()\n xyz = pos[start:end]\n full_xyz = _wp.get_position_from_free_xyzs(xyz)\n [x, y, z] = full_xyz\n start = end\n label = _wp.get_label()\n if specie not in species:\n species.append(specie)\n numIons.append(_wp.multiplicity)\n total_sites.append([(label, x, y, z)])\n else:\n idx = species.index(specie)\n numIons[idx] += _wp.multiplicity\n total_sites[idx].append((label, x, y, z))\n # print(species, numIons, total_sites)\n\n spg = sites[0][1].number\n try:\n self.build(spg, species, numIons, lat, total_sites, dim=dim)\n except:\n print(\"input x\", x)\n print(\"input build\", spg, numIons, lat, total_sites)\n raise ValueError(\"Problem in build\")\n\n def check_validity(self, criteria, verbose=False):\n \"\"\"\n Check if the xtal is valid for a given list of criteria.\n Currently support the following keywords\n - MIN_Density (float)\n - CN: coordination number (int)\n - Dimension: (int)\n\n Args:\n criteria (dict): keywords and the threshhold values\n verbose (bool): whether or not print out details\n\n Return:\n bool value regarding the validity\n \"\"\"\n\n if len(criteria.keys()) == 0:\n return True\n\n if \"exclude_ii\" not in criteria:\n criteria[\"exclude_ii\"] = False\n\n if \"MIN_Density\" in criteria:\n den1 = self.get_density()\n den2 = criteria[\"MIN_Density\"]\n if den1 < den2:\n if verbose:\n msg = f\"===Invalid in MIN_density {den1:.2f}=>{den2:.2f}\"\n print(msg)\n return False\n if \"CN\" in criteria:\n options = [True, False] if criteria[\"exclude_ii\"] else [False]\n\n coords = []\n for option in options:\n try:\n self.set_site_coordination(\n criteria[\"cutoff\"], exclude_ii=option)\n # print('exclude_ii', option, criteria['cutoff'], self)\n except:\n if verbose:\n print(\"=====Invalid in CN calculation\")\n return False\n coord = []\n for s in self.atom_sites:\n ele = s.specie\n cn1 = s.coordination\n cn2 = criteria[\"CN\"][ele]\n # print(ele, cn1, option)\n if cn1 not in cn2:\n if verbose:\n strs = f\"=====Invalid CN {ele:s} [{cn1:d}=>{cn2[0]:d}]\"\n strs += \", exclude ii: \" + str(option)\n print(strs)\n return False\n coord.append(cn1)\n coords.append(coord)\n if len(coords) == 2 and coords[0] != coords[1]:\n return False\n\n if \"Dimension\" in criteria:\n try:\n # TODO: unclear what is the criteria_cutoff\n dim1 = self.get_dimensionality(criteria['cutoff'])\n except:\n dim1 = 3\n dim2 = criteria[\"Dimension\"]\n if dim1 != dim2:\n if verbose:\n print(f\"=====Invalid in Dimension {dim1:d}=>{dim2:d}\")\n return False\n\n return True\n\n def get_xtal_string(self, dicts=None, header=None):\n \"\"\"\n Get a string representation of the crystal structure.\n\n Args:\n dicts (dict, optional): Dictionary containing additional properties like\n similarity, energy, status etc\n header (str, optional): Additional header text to prepend\n\n Returns:\n str: Formatted string containing crystal information including:\n - Number of atoms\n - Degrees of freedom\n - Space group number and symbol\n - Density\n - Additional properties from dicts\n - Wyckoff positions\n \"\"\"\n spg_num, spg_symbol = self.group.number, self.group.symbol\n density = self.get_density()\n dof = self.get_dof()\n N_atoms = sum(self.numIons)\n strs = header if header is not None else \"\"\n strs += f\"*{N_atoms:3d} {dof:3d} {spg_num:4d} {spg_symbol:10s} {density:8.2f} \"\n\n if dicts is not None:\n # Similarity, energy, status\n for key in dicts:\n value = dicts[key]\n if isinstance(value, (float, np.float64)):\n strs += f\" {value:8.3f} \"\n elif isinstance(value, str):\n strs += f\" {value:24s} \"\n elif isinstance(value, bool):\n strs += f\" {value!s:5s} \"\n\n for s in self.atom_sites:\n strs += f\"{s.wp.get_label():s} \"\n return strs\n\n def get_tabular_representations(\n self,\n N_max=200,\n N_wp=8,\n normalize=False,\n perturb=False,\n eps=0.05,\n discrete=False,\n discrete_cell=False,\n N_grids=50,\n ):\n \"\"\"\n Enumerate the equivalent representations for a give crystal.\n For example, 8a in space group 227 has 8 equivalent positions\n\n Args:\n N_max (int): the max number of samples from the enumeration\n N_wp (int): the maximum number of allowed WP sites\n normalize (bool): normalize all number to (0, 1)\n perturb (bool): whether or not perturb the variables\n eps (float): the degree of perturbation\n discrete (bool): to discretize xyz\n N_grids (int): number of grids used for discretization\n\n Returns:\n a list of equivalent 1D tabular representations\n \"\"\"\n reps = []\n\n # To prevent the explosion of big multiplicity number\n if len(self.atom_sites) <= 1:\n min_wp = 192\n elif len(self.atom_sites) <= 2:\n min_wp = 100\n elif len(self.atom_sites) <= 4:\n min_wp = 20\n else:\n min_wp = int(np.power(100000.0, 1 / len(self.atom_sites)))\n\n sites_mul = [range(min([min_wp, site.wp.multiplicity]))\n for site in self.atom_sites]\n ids = list(itertools.product(*sites_mul))\n if len(ids) > N_max:\n ids = self.random_state.choice(ids, N_max)\n\n #print(f\"N_reps {len(ids)}/{N_max}: \", self.get_xtal_string())\n for sites_id in ids:\n rep = self.get_tabular_representation(\n sites_id, normalize, N_wp, perturb,\n eps=eps,\n standardize=False,\n discrete=discrete,\n discrete_cell=discrete_cell,\n N_grids=N_grids)\n reps.append(rep)\n return reps\n\n def get_tabular_representation(\n self,\n ids=None,\n normalize=False,\n N_wp=6,\n perturb=False,\n max_abc=50.0,\n max_angle=np.pi,\n eps=0.05,\n standardize=True,\n discrete=False,\n discrete_cell=False,\n N_grids=50,\n ):\n \"\"\"\n Convert the xtal to a 1D reprsentation organized as\n ``(space_group_number, a, b, c, alpha, beta, gamma, wp1, wp2, ....)``,\n where each wp is represented by 4 numbers ``(wp_id, x, y, z)``.\n\n Args:\n ids (list): index of generators for each wp\n normalize (bool): whether or not normalize the data to (0, 1)\n N_wp (int): number of maximum wp sites\n perturb (bool): whether or not perturb the variables\n max_abc (float): maximum abc length for normalization\n max_angle (float): maximum angle in radian for normalization\n eps (float): the degree of perturbation\n discrete (bool): to discretize xyz\n discrete_cell (bool): to discretize cell_para\n N_grids (int): number of grids used for discretization\n\n Returns:\n a 1D vector such as (141, 3, 3, 3, pi/2, pi/2, pi/2, wp_id, x, y, z)\n \"\"\"\n\n if ids is None:\n ids = [0] * len(self.atom_sites)\n else:\n assert len(ids) == len(self.atom_sites)\n\n if len(ids) > N_wp:\n raise ValueError(\n \"Cannot handle too many atom sites\", len(ids), N_wp)\n\n N_cell, N_site = 7, N_wp * 4\n\n # If the number of wp is less then 6, assign -1\n rep = -np.ones(N_cell + N_site) # 7 + 6 + 18 = 31\n rep[0] = self.group.number\n lattice = self.lattice.copy()\n if perturb:\n lattice = lattice.mutate(degree=eps)\n rep[1:7] = lattice.get_para()\n\n if normalize:\n rep[0] /= 230\n rep[1:4] /= max_abc\n rep[4:7] /= max_angle\n\n if discrete_cell:\n rep[1:4] = np.round(rep[1:4] / max_abc * N_grids)\n rep[4:7] = np.round(rep[4:7] / max_angle * N_grids)\n\n count = N_cell\n\n # Convert WP site\n for id, site in zip(ids, self.atom_sites):\n # Get the index\n rep[count] = site.wp.index\n if normalize:\n rep[count] /= len(self.group)\n\n # Convert xyz\n xyz = site.coords[id] # position\n xyz -= np.floor(xyz)\n\n if discrete:\n xyz = site.wp.to_discrete_grid(xyz, N_grids)\n else:\n if standardize:\n free_xyzs = site.wp.get_free_xyzs(\n xyz, perturb=perturb, eps=eps)\n xyz = site.wp.get_position_from_free_xyzs(free_xyzs)\n rep[count + 1: count + 4] = xyz\n count += 4\n return rep\n\n def from_tabular_representation(\n self,\n rep,\n max_abc=50.0,\n max_angle=180,\n normalize=False,\n tol=0.1,\n discrete=False,\n discrete_cell=False,\n N_grids=50,\n verbose=False,\n ):\n \"\"\"\n Reconstruct crystal from 1D tabular representation.\n Currently assumes elemental composition like carbon.\n\n Args:\n rep (array): 1D array containing the tabular representation\n max_abc (float): Maximum lattice vector length for normalization\n max_angle (float): Maximum angle in degrees for normalization\n normalize (bool): Whether to normalize values between 0-1\n tol (float): Tolerance for Wyckoff position assignment\n discrete (bool): Whether to discretize atomic coordinates\n discrete_cell (bool): Whether to discretize cell parameters\n N_grids (int): Number of grid points for discretization\n verbose (bool): Whether to print detailed error messages\n\n Note:\n For discrete coordinates, values are mapped onto integer grid indices.\n For normalized coordinates, values are scaled between 0 and 1.\n \"\"\"\n if not discrete: tol=0.01\n number = int(np.round(rep[0] * 230)) if normalize else int(rep[0])\n if 1 <= number <= 230:\n group = Group(number)\n [a, b, c, alpha, beta, gamma] = rep[1:7]\n if normalize:\n a, b, c = a * max_abc, b * max_abc, c * max_abc\n alpha, beta, gamma = (\n alpha * max_angle,\n beta * max_angle,\n gamma * max_angle,\n )\n else:\n if discrete_cell:\n a = a / N_grids * max_abc\n b = b / N_grids * max_abc\n c = c / N_grids * max_abc\n alpha = alpha / N_grids * max_angle\n beta = beta / N_grids * max_angle\n gamma = gamma / N_grids * max_angle\n #print(a, b, c, alpha, beta, gamma)\n else:\n alpha, beta, gamma = (\n np.degrees(alpha),\n np.degrees(beta),\n np.degrees(gamma),\n )\n try:\n lattice = Lattice.from_para(\n a,\n b,\n c,\n alpha,\n beta,\n gamma,\n ltype=group.lattice_type,\n force_symmetry=True,\n )\n except ValueError:\n print('Input lattice from rep is incorrect',\n number, a, b, c, alpha, beta, gamma)\n self.valid = False\n return None\n\n # Convert WP site\n sites_info = np.reshape(rep[7:], (int((len(rep) - 7) / 4), 4))\n sites = []\n numIons = 0\n for site_info in sites_info:\n [id, x, y, z] = site_info\n # exclude data containing negative values\n if verbose:\n print(\"site_info\", site_info)\n\n if min(site_info) > -0.01:\n wp_id = int(np.round(len(group) * id)\n ) if normalize else int(id)\n if wp_id >= len(group):\n wp_id = -1\n wp = group[wp_id]\n\n # Conversion from discrete to continuous\n if discrete:\n #print('discrete', x, y, z)\n [x, y, z] = wp.from_discrete_grid([x, y, z], N_grids)\n #print('conversion', x, y, z)\n\n # ; print(wp.get_label(), xyz)\n xyz = wp.search_generator([x, y, z], tol=tol, symmetrize=True)\n if xyz is not None:\n #xyz, wp, _ = wp.merge(xyz, np.eye(3), 1e-3)\n label = wp.get_label()\n #print('after merge', x, y, z, label, xyz[0], xyz[1], xyz[2])\n sites.append((label, xyz[0], xyz[1], xyz[2]))\n numIons += wp.multiplicity\n if verbose:\n print('add wp', label, xyz)\n else:\n if verbose:\n print(\"Cannot get wp in\", x, y, z, wp.get_label())\n\n if len(sites) > 0:\n try:\n # print(sites)\n self.build(group, [\"C\"], [numIons], lattice, [sites])\n except:\n print(\"Invalid Build\", number, lattice, numIons, sites)\n self.valid = False\n else:\n if verbose:\n print(\"Empty sites in tabular_representation\", rep)\n print(\"parsed sites info\", sites_info)\n self.valid = False\n else:\n if verbose:\n print(\"The input space group is invalid\", rep[0])\n\n def get_Pearson_Symbol(self):\n \"\"\"\n Implementation of the Pearson symbol system for crystallographic notation.\n Based on https://en.wikipedia.org/wiki/Pearson_symbol, which is a notation that describes crystal structures using:\n - First letter: crystal system (a, m, o, t, h, c)\n - Second letter: centering type (P, I, F, etc.)\n - Number: number of atoms per unit cell\n \"\"\"\n if self.group.number <= 2:\n l = \"a\"\n elif self.group.number <= 15:\n l = \"m\"\n elif self.group.number <= 74:\n l = \"o\"\n elif self.group.number <= 142:\n l = \"t\"\n elif self.group.number <= 194:\n l = \"h\"\n else:\n l = \"c\"\n\n b = \"S\" if self.group.symbol[0] in [\n \"A\", \"B\", \"C\"] else self.group.symbol[0]\n\n return l + b + str(sum(self.numIons))\n\n def resymmetrize(self, tol=1e-3):\n \"\"\"\n Recheck the symmetry with a given tolerance value.\n Useful to identify a higher space group symmetry.\n\n Args:\n tol (float): The tolerance value for symmetry finder\n\n Returns:\n pyxtal: A new pyxtal object with resymmetrized structure\n \"\"\"\n\n xtal0 = pyxtal()\n xtal0.from_seed(self.to_pymatgen(), tol=tol)\n\n return xtal0\n\n def from_prototype(self, prototype):\n \"\"\"\n Load a template structure based on a prototype name for quick testing.\n\n Args:\n prototype (str): Name of the crystal prototypes to load, such as 'diamond', 'graphite', etc.\n\n - 'diamond'\n - 'graphite'\n - 'a-cristobalite'\n - 'b-cristobalite'\n - 'a-quartz'\n - 'b-quartz'\n - 'rocksalt'\n - 'B1'\n - 'B2'\n\n Example:\n >>> xtal = pyxtal()\n >>> xtal.from_prototype('diamond') # Creates diamond structure\n >>> xtal.from_prototype('graphite') # Creates graphite structure\n\n Note:\n A convenient shortcut to generate common crystal structures by directly\n specifying their space groups, Wyckoff positions, lattice parameters\n and atomic species. The structures are created with standard settings.\n \"\"\"\n\n if prototype == 'graphite':\n self.from_spg_wps_rep(194, ['2c', '2b'], [2.46, 6.70])\n\n elif prototype == 'diamond':\n self.from_spg_wps_rep(227, ['8a'], [3.567])\n\n elif prototype == 'h-diamond':\n self.from_spg_wps_rep(194,\n ['4f'],\n [2.50, 4.17, 0.0628])\n\n elif prototype == 'a-cristobalite':\n self.from_spg_wps_rep(92,\n ['4a', '8b'],\n [5.085, 7.099, 0.294, 0.094, 0.241, 0.826],\n ['Si', 'O'])\n elif prototype == 'b-cristobalite':\n self.from_spg_wps_rep(227,\n ['8a', '16c'],\n [7.46086],\n ['Si', 'O'])\n elif prototype == 'a-quartz':\n self.from_spg_wps_rep(152,\n ['3a', '6c'],\n [4.91, 5.43, 0.4689, 0.2692, 0.4134, 0.7849],\n ['Si', 'O'])\n elif prototype == 'b-quartz':\n self.from_spg_wps_rep(181,\n ['3c', '6j'],\n [5.06, 5.54, 0.2086],\n ['Si', 'O'])\n elif prototype in ['rocksalt', 'B1']:\n self.from_spg_wps_rep(225,\n ['4a', '4b'],\n [5.59],\n ['Na', 'Cl'])\n elif prototype in ['B2']:\n self.from_spg_wps_rep(221,\n ['1a', '1b'],\n [5.59],\n ['Cs', 'Cl'])\n elif prototype in ['cBN']:\n self.from_spg_wps_rep(216,\n ['4a', '4d'],\n [3.63],\n ['B', 'N'])\n elif prototype in ['olivine']:\n self.from_spg_wps_rep(62,\n ['4a', '4c', '4c', '8d', '4c', '4c'],\n [10.18, 5.96, 4.75, 0.723, 0.992, 0.906, 0.426,\n 0.663, 0.532, 0.777, 0.554, 0.222, 0.909, 0.767],\n ['Mg', 'Mg', 'Si', 'O', 'O', 'O'])\n elif prototype in ['beta-Ga2O3']:\n self.from_spg_wps_rep(12,\n ['4i', '4i', '4i', '4i', '4i'],\n [12.28, 3.04, 5.82, 103.8,\n 0.091, 0.795, 0.659, 0.315,\n 0.504, 0.743, 0.165, 0.109,\n 0.173, 0.563],\n ['Ga', 'Ga', 'O', 'O', 'O'])\n else:\n raise ValueError(\"Cannot support the input prototype\", prototype)\n\n def optimize_orientation_by_energy(self, max_iter=20, verbose=False):\n\n for i, site in enumerate(self.mol_sites):\n ms = [self.mol_sites[j] for j in range(len(self.mol_sites)) if j != i]\n site.optimize_orientation_by_energy(wps=ms, verbose=verbose)\n\n def get_orientation_energy(self):\n eng = 0\n for i, site in enumerate(self.mol_sites):\n ms = [self.mol_sites[j] for j in range(i+1, len(self.mol_sites))]\n eng += site.wp.multiplicity * site.get_energy(wps=ms)\n return eng\n\n def get_separations(self, hkls=[[1, 0, 0], [0, 1, 0], [0, 0, 1]]):\n \"\"\"\n Compute the separation for the given hkl plane\n \"\"\"\n separations = []\n if self.molecular:\n from pyxtal.plane import planes\n p = planes()\n p.set_xtal(self)\n for hkl in hkls:\n (_, _, sep) = p.get_separation(hkl)\n separations.append(sep.max())\n\n return np.array(separations)\n\n def cut_lattice(self, max_separation=3.0, verbose=False):\n \"\"\"\n An utility to reduce the empty spacing\n \"\"\"\n seps = self.get_separations()\n ax = seps.argmax()\n if seps[ax] >= max_separation:\n cut = seps[ax] - max_separation\n # update coordinates\n for mol_site in self.mol_sites:\n mol_site.cut_lattice(ax, cut)\n self.lattice.update_para(ax, -cut)\n if verbose:\n print(f\"Found large separation {ax} {seps[ax]:.2f}\")\n print(\"Update lattice\", self.lattice)\n\n def optimize_lattice_and_rotation(self, iterations=3, verbose=False):\n \"\"\"\n Iteratively cut lattice and optimize molecular rotations.\n\n Args:\n iterations (int): Number of optimization cycles\n verbose (bool): Whether to print debug information\n \"\"\"\n if self.molecular:\n for i in range(iterations):\n self.cut_lattice(2.0, verbose=verbose)\n if self.molecules[0].active_sites is not None:\n self.optimize_orientation_by_energy(20, verbose=verbose)\n\n def get_rms_dist(self, xtal1, ltol=0.3, stol=0.3, angle_tol=5.0, scale=True):\n \"\"\"\n Compute the RMS distance between two crystal structures.\n\n Args:\n xtal1 (pyxtal): Second crystal structure to compare against\n ltol (float): Relative length tolerance for matching unit cells\n stol (float): Site tolerance for matching atomic positions\n angle_tol (float): Tolerance for matching cell angles in degrees\n scale (bool): Whether to scale the structures before comparing\n\n Returns:\n float: Root mean square (RMS) distance between the structures\n\n Note:\n Uses pymatgen's structure matcher functionality internally\n \"\"\"\n from pyxtal.util import get_pmg_dist\n\n if not isinstance(xtal1, pyxtal):\n raise TypeError(\"The input must be a pyxtal instance\")\n pmg = self.to_pymatgen()\n pmg1 = xtal1.to_pymatgen()\n return get_pmg_dist(pmg, pmg1, ltol=ltol, stol=stol, angle_tol=angle_tol, scale=scale)\n" }, { "path": "pyxtal/asu_constraints.py", "content": "\"\"\"\nModule for handling Asymmetric Unit (ASU) constraints with complex conditions.\n\nThis module provides tools to:\n1. Define ASU box constraints (x_min ≤ x ≤ x_max, etc.)\n2. Define additional inequality constraints (e.g., x ≤ y, y ≤ 1/2 - x)\n3. Check if coordinates satisfy ASU conditions\n4. Generate random points within the ASU\n5. Project coordinates into the ASU\n\nExamples of ASU conditions:\n- Space Group 1 (P1): 0 ≤ x ≤ 1, 0 ≤ y ≤ 1, 0 ≤ z ≤ 1\n- Space Group 75 (P4): 0 ≤ x ≤ 1/2, 0 ≤ y ≤ 1/2, 0 ≤ z ≤ 1, with x ≤ y\n- Space Group 146 (R3): x ≤ (1+y)/2, y ≤ min(1-x, (1+x)/2), z ≤ 1\n\"\"\"\n\nimport numpy as np\nfrom fractions import Fraction\nfrom typing import List, Callable, Optional\n\n\nclass ASUCondition:\n \"\"\"\n Represents a single inequality condition for ASU.\n \n Examples:\n x ≤ y --> lambda coords: coords[0] <= coords[1]\n y ≤ 1/2 - x --> lambda coords: coords[1] <= 0.5 - coords[0]\n x ≤ (1+y)/2 --> lambda coords: coords[0] <= (1 + coords[1])/2\n \"\"\"\n \n def __init__(self, condition: Callable, description: str):\n \"\"\"\n Initialize an ASU condition.\n \n Args:\n condition: A callable that takes coords [x, y, z] and returns True/False\n description: A human-readable description of the condition\n \"\"\"\n self.condition = condition\n self.description = description\n \n def check(self, coords: np.ndarray) -> bool:\n \"\"\"\n Check if coordinates satisfy this condition.\n \n Args:\n coords: Array of shape (..., 3) with [x, y, z] coordinates\n \n Returns:\n Boolean or array of booleans indicating if condition is satisfied\n \"\"\"\n return self.condition(coords)\n \n def __repr__(self):\n return f\"ASUCondition({self.description})\"\n\n\nclass ASU:\n \"\"\"\n Represents the Asymmetric Unit for a space group with box constraints\n and additional inequality conditions.\n \"\"\"\n \n def __init__(self, \n x_min: float, x_max: float,\n y_min: float, y_max: float,\n z_min: float, z_max: float,\n conditions: Optional[List[ASUCondition]] = None):\n \"\"\"\n Initialize ASU with box bounds and optional additional conditions.\n \n Args:\n x_min, x_max: x coordinate bounds\n y_min, y_max: y coordinate bounds\n z_min, z_max: z coordinate bounds\n conditions: List of additional ASUCondition objects\n \"\"\"\n self.bounds = np.array([x_min, x_max, y_min, y_max, z_min, z_max])\n self.conditions = conditions or []\n \n @property\n def x_min(self): return self.bounds[0]\n \n @property\n def x_max(self): return self.bounds[1]\n \n @property\n def y_min(self): return self.bounds[2]\n \n @property\n def y_max(self): return self.bounds[3]\n \n @property\n def z_min(self): return self.bounds[4]\n \n @property\n def z_max(self): return self.bounds[5]\n \n def check_box_bounds(self, coords: np.ndarray) -> np.ndarray:\n \"\"\"\n Check if coordinates are within the box bounds.\n \n Args:\n coords: Array of shape (..., 3) with [x, y, z] coordinates\n \n Returns:\n Boolean array indicating if each point is within bounds\n \"\"\"\n coords = np.asarray(coords)\n if coords.ndim == 1:\n coords = coords.reshape(1, -1)\n \n in_bounds = (\n (coords[..., 0] >= self.x_min) & (coords[..., 0] <= self.x_max) &\n (coords[..., 1] >= self.y_min) & (coords[..., 1] <= self.y_max) &\n (coords[..., 2] >= self.z_min) & (coords[..., 2] <= self.z_max)\n )\n return in_bounds\n \n def check_conditions(self, coords: np.ndarray) -> np.ndarray:\n \"\"\"\n Check if coordinates satisfy all additional conditions.\n \n Args:\n coords: Array of shape (..., 3) with [x, y, z] coordinates\n \n Returns:\n Boolean array indicating if each point satisfies all conditions\n \"\"\"\n if not self.conditions:\n return np.ones(coords.shape[:-1], dtype=bool)\n \n coords = np.asarray(coords)\n result = np.ones(coords.shape[:-1], dtype=bool)\n \n for condition in self.conditions:\n result &= condition.check(coords)\n \n return result\n \n def is_valid(self, coords: np.ndarray) -> np.ndarray:\n \"\"\"\n Check if coordinates are within the ASU (both box bounds and conditions).\n \n Args:\n coords: Array of shape (..., 3) with [x, y, z] coordinates\n \n Returns:\n Boolean array indicating if each point is in the ASU\n \"\"\"\n return self.check_box_bounds(coords) & self.check_conditions(coords)\n \n def generate_random_points(self, n: int, max_attempts: int = 10000) -> np.ndarray:\n \"\"\"\n Generate random points uniformly within the ASU.\n \n Args:\n n: Number of points to generate\n max_attempts: Maximum number of attempts per point\n \n Returns:\n Array of shape (n, 3) with valid ASU coordinates\n \"\"\"\n points = []\n attempts = 0\n \n while len(points) < n and attempts < max_attempts:\n # Generate random points in the box\n candidates = np.random.rand(n - len(points), 3)\n candidates[:, 0] = candidates[:, 0] * (self.x_max - self.x_min) + self.x_min\n candidates[:, 1] = candidates[:, 1] * (self.y_max - self.y_min) + self.y_min\n candidates[:, 2] = candidates[:, 2] * (self.z_max - self.z_min) + self.z_min\n \n # Check which ones satisfy all conditions\n valid = self.check_conditions(candidates)\n points.extend(candidates[valid])\n \n attempts += 1\n \n if len(points) < n:\n raise ValueError(f\"Could not generate {n} valid points after {max_attempts} attempts\")\n \n return np.array(points[:n])\n \n def project_to_asu(self, coords: np.ndarray, method: str = 'clamp') -> np.ndarray:\n \"\"\"\n Project coordinates to be within the ASU.\n \n Args:\n coords: Array of shape (..., 3) with [x, y, z] coordinates\n method: Projection method ('clamp' or 'modulo')\n \n Returns:\n Projected coordinates within the ASU\n \"\"\"\n coords = np.asarray(coords, dtype=float).copy()\n original_shape = coords.shape\n coords = coords.reshape(-1, 3)\n \n if method == 'clamp':\n # Clamp to box bounds\n coords[:, 0] = np.clip(coords[:, 0], self.x_min, self.x_max)\n coords[:, 1] = np.clip(coords[:, 1], self.y_min, self.y_max)\n coords[:, 2] = np.clip(coords[:, 2], self.z_min, self.z_max)\n \n # Handle additional conditions (simple approach: iterative adjustment)\n for _ in range(10): # Max iterations\n if np.all(self.check_conditions(coords)):\n break\n \n for condition in self.conditions:\n invalid = ~condition.check(coords)\n if np.any(invalid):\n # Simple heuristic: move slightly toward center of ASU\n center = np.array([\n (self.x_min + self.x_max) / 2,\n (self.y_min + self.y_max) / 2,\n (self.z_min + self.z_max) / 2\n ])\n coords[invalid] = 0.9 * coords[invalid] + 0.1 * center\n \n elif method == 'modulo':\n # Apply periodic boundary conditions first\n coords[:, 0] = coords[:, 0] % 1.0\n coords[:, 1] = coords[:, 1] % 1.0\n coords[:, 2] = coords[:, 2] % 1.0\n \n # Then clamp to ASU box\n coords[:, 0] = np.clip(coords[:, 0], self.x_min, self.x_max)\n coords[:, 1] = np.clip(coords[:, 1], self.y_min, self.y_max)\n coords[:, 2] = np.clip(coords[:, 2], self.z_min, self.z_max)\n \n return coords.reshape(original_shape)\n \n def __repr__(self):\n bounds_str = (f\"x: [{self.x_min}, {self.x_max}], \"\n f\"y: [{self.y_min}, {self.y_max}], \"\n f\"z: [{self.z_min}, {self.z_max}]\")\n if self.conditions:\n cond_str = \", conditions: \" + \", \".join(str(c) for c in self.conditions)\n else:\n cond_str = \"\"\n return f\"ASU({bounds_str}{cond_str})\"\n\n\n# ============================================================================\n# Example ASU definitions with additional conditions\n# ============================================================================\n\ndef create_asu_for_space_group(space_group: int) -> ASU:\n \"\"\"\n Create ASU object for a given space group number.\n \n This is a demonstration with a few examples. For complete implementation,\n you would need to add all 230 space groups.\n \n Args:\n space_group: Space group number (1-230)\n \n Returns:\n ASU object with appropriate bounds and conditions\n \"\"\"\n # Basic ASU bounds for common space groups (partial list for demonstration)\n # Full data can be loaded from pyxtal/database/asymmetric_unit.txt\n ASU_BOUNDS_DICT = {\n 1: [0, 1, 0, 1, 0, 1],\n 2: [0, 0.5, 0, 1, 0, 1],\n 75: [0, 0.5, 0, 0.5, 0, 1],\n 143: [0, 2/3, 0, 2/3, 0, 1],\n 146: [0, 2/3, 0, 2/3, 0, 1/3],\n 195: [0, 0.5, 0, 0.5, 0, 0.5],\n }\n \n bounds = ASU_BOUNDS_DICT.get(space_group, [0, 1, 0, 1, 0, 1])\n x_min, x_max, y_min, y_max, z_min, z_max = bounds\n \n # Define additional conditions for specific space groups\n conditions = []\n \n # Space Group 75 (P4): Additional condition x ≤ y\n if space_group == 75:\n conditions.append(ASUCondition(\n lambda c: c[..., 0] <= c[..., 1],\n \"x ≤ y\"\n ))\n \n # Space Group 143 (P3): Additional conditions\n elif space_group == 143:\n conditions.extend([\n ASUCondition(\n lambda c: c[..., 0] <= c[..., 1],\n \"x ≤ y\"\n ),\n ASUCondition(\n lambda c: c[..., 1] <= 0.5,\n \"y ≤ 1/2\"\n )\n ])\n \n # Space Group 146 (R3): More complex conditions\n elif space_group == 146:\n conditions.extend([\n ASUCondition(\n lambda c: c[..., 0] <= (1 + c[..., 1]) / 2,\n \"x ≤ (1+y)/2\"\n ),\n ASUCondition(\n lambda c: c[..., 1] <= np.minimum(1 - c[..., 0], (1 + c[..., 0]) / 2),\n \"y ≤ min(1-x, (1+x)/2)\"\n )\n ])\n \n # Space Group 195 (P23): Additional condition x ≤ y and y ≤ z\n elif space_group == 195:\n conditions.extend([\n ASUCondition(\n lambda c: c[..., 0] <= c[..., 1],\n \"x ≤ y\"\n ),\n ASUCondition(\n lambda c: c[..., 1] <= c[..., 2],\n \"y ≤ z\"\n )\n ])\n \n # Add more space groups as needed...\n \n return ASU(x_min, x_max, y_min, y_max, z_min, z_max, conditions)\n\n\n# ============================================================================\n# Utility functions\n# ============================================================================\n\ndef parse_fraction(frac_str: str) -> float:\n \"\"\"Convert fraction string like '1/2' to float.\"\"\"\n frac_str = frac_str.strip()\n if '/' in frac_str:\n return float(Fraction(frac_str))\n return float(frac_str)\n\n\ndef test_asu_implementation():\n \"\"\"Test the ASU implementation with examples.\"\"\"\n print(\"Testing ASU implementation\\n\" + \"=\" * 60)\n \n # Test 1: Simple box constraint (Space Group 1)\n print(\"\\n1. Space Group 1 (P1) - Simple box\")\n asu1 = create_asu_for_space_group(1)\n print(asu1)\n \n test_points = np.array([\n [0.5, 0.5, 0.5], # Valid\n [1.5, 0.5, 0.5], # Invalid (x > 1)\n [0.0, 0.0, 0.0], # Valid\n ])\n valid = asu1.is_valid(test_points)\n print(f\"Test points validity: {valid}\")\n \n # Test 2: Box with condition (Space Group 75)\n print(\"\\n2. Space Group 75 (P4) - Box with x ≤ y\")\n asu75 = create_asu_for_space_group(75)\n print(asu75)\n \n test_points = np.array([\n [0.3, 0.4, 0.5], # Valid (x < y)\n [0.4, 0.3, 0.5], # Invalid (x > y)\n [0.25, 0.25, 0.5], # Valid (x = y)\n ])\n valid = asu75.is_valid(test_points)\n print(f\"Test points validity: {valid}\")\n \n # Test 3: Generate random points\n print(\"\\n3. Generate random points in ASU 75\")\n random_points = asu75.generate_random_points(5)\n print(f\"Generated {len(random_points)} random points:\")\n for i, pt in enumerate(random_points):\n print(f\" Point {i+1}: x={pt[0]:.4f}, y={pt[1]:.4f}, z={pt[2]:.4f}, valid={asu75.is_valid(pt)}\")\n \n # Test 4: Project to ASU\n print(\"\\n4. Project points to ASU\")\n outside_points = np.array([\n [0.6, 0.3, 0.5], # Outside condition (x > y)\n [1.5, 0.5, 0.5], # Outside box\n ])\n projected = asu75.project_to_asu(outside_points)\n print(f\"Original points:\\n{outside_points}\")\n print(f\"Projected points:\\n{projected}\")\n print(f\"Projected points valid: {asu75.is_valid(projected)}\")\n \n\nif __name__ == \"__main__\":\n test_asu_implementation()\n" }, { "path": "pyxtal/block_crystal.py", "content": "\"\"\"\nModule for generating crystals based on building blocks\n\"\"\"\n# Standard Libraries\nimport numpy as np\n\n# External Libraries\nfrom pymatgen.core import Molecule\n\n# PyXtal imports\nfrom pyxtal.molecular_crystal import molecular_crystal as mol_xtal\nfrom pyxtal.molecule import Orientation, compare_mol_connectivity, pyxtal_molecule\nfrom pyxtal.wyckoff_site import mol_site\nfrom pyxtal.io import search_molecules_in_crystal\n\ndef block_crystal(\n dim,\n group,\n molecules,\n numMols,\n factor,\n thickness,\n area,\n block,\n num_block,\n lattice,\n torsions,\n sites,\n conventional,\n tm,\n seed,\n random_state,\n use_hall,\n):\n # If block is None, directly generate mol. xtal.\n # Otherwise, generate crystal from building block\n if block is None:\n return mol_xtal(\n dim,\n group,\n molecules,\n numMols,\n factor,\n thickness=thickness,\n area=area,\n lattice=lattice,\n torsions=torsions,\n sites=sites,\n conventional=conventional,\n tm=tm,\n seed=seed,\n random_state=random_state,\n use_hall=use_hall,\n )\n\n else:\n p_mol = pyxtal_molecule(block)\n block_mols = search_molecules_in_crystal(p_mol.mol, tol=0.2, once=False)\n xtal_mols = [pyxtal_molecule(m, fix=True) for m in molecules]\n\n orders = []\n for m1 in xtal_mols:\n for m2 in block_mols:\n if len(m1.mol) == len(m2):\n # match, mapping = compare_mol_connectivity(m2, m1.mol)\n match, mapping = compare_mol_connectivity(m1.mol, m2)\n # print(match, len(m1.mol), len(m2))\n if match:\n orders.append([mapping[at] for at in range(len(m2))])\n break\n # print(mapping)\n # print(\"smile\"); print(m1.mol.to('xyz'))\n # print(\"reference\"); print(m2.to('xyz'))\n # print(orders[-1])\n # import sys; sys.exit()\n\n if len(orders) != len(molecules):\n raise ValueError(\"Block is inconsistent with the molecules\")\n\n # rearrange the order of block molecules\n numbers = []\n coords = np.zeros([len(p_mol.mol), 3])\n count = 0\n for order, m in zip(orders, block_mols):\n numbers.extend([m.atomic_numbers[o] for o in order])\n coords[count : count + len(m)] += m.cart_coords[order]\n count += len(m)\n mol = Molecule(numbers, coords)\n if num_block is not None:\n num_block = [num_block]\n # print(mol.to('xyz')); import sys; sys.exit()\n\n for i in range(10):\n struc = mol_xtal(\n dim,\n group,\n [mol],\n num_block,\n factor,\n thickness=thickness,\n area=area,\n lattice=lattice,\n torsions=torsions,\n sites=sites,\n conventional=conventional,\n tm=tm,\n random_state=random_state,\n use_hall=use_hall,\n )\n\n if struc.valid:\n break\n\n struc.molecules = xtal_mols\n struc.numMols = struc.numMols * len(xtal_mols)\n\n # XYZ from the block_sites\n b_site = struc.mol_sites[0]\n xyz, _ = b_site._get_coords_and_species(absolute=True, first=True)\n\n # Create mol sites\n ori = Orientation(np.eye(3))\n mol_sites = []\n\n count = 0\n for i in range(len(molecules)):\n mol = xtal_mols[i]\n m_xyz = xyz[count : count + len(mol.mol)]\n center = mol.get_center(m_xyz)\n mol.reset_positions(m_xyz - center)\n # print(mol.mol.to('xyz'))\n position = np.dot(center, np.linalg.inv(struc.lattice.matrix))\n position -= np.floor(position)\n m_site = mol_site(mol, position, ori, b_site.wp, struc.lattice)\n m_site.type = i\n mol_sites.append(m_site)\n count += len(mol.mol)\n\n struc.mol_sites = mol_sites\n\n return struc\n\n\nif __name__ == \"__main__\":\n import pymatgen.analysis.structure_matcher as sm\n\n from pyxtal import pyxtal\n from pyxtal.representation import representation\n\n smiles = [\n \"C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O.smi\",\n \"CC1=CC2=C(C=C1)N3CC4=C(C=CC(=C4)C)N(C2)C3.smi\",\n ]\n\n for block in [None, \"xxv\"]:\n print(\"block\", block)\n for i in range(30):\n s = pyxtal(molecular=True)\n s.from_random(3, 14, smiles, block=block)\n\n rep2 = representation.from_pyxtal(s)\n strs = rep2.to_string()\n print(i, strs)\n\n rep3 = representation.from_string(strs, smiles)\n s1 = rep3.to_pyxtal()\n\n pmg1 = s.to_pymatgen()\n pmg2 = s1.to_pymatgen()\n pmg1.remove_species(\"H\")\n pmg2.remove_species(\"H\")\n if not sm.StructureMatcher().fit(pmg1, pmg2):\n print(\"Mismatch\")\n print(\"S1\", s.check_short_distances())\n print(\"S2\", s1.check_short_distances())\n s.to_file(\"1.cif\")\n s1.to_file(\"2.cif\")\n import sys; sys.exit()" }, { "path": "pyxtal/constants.py", "content": "\"\"\"\nModule to store the constants\n\"\"\"\n\nimport numpy as np\nfrom pyxtal.version import __version__\n\n# Constants\n# ------------------------------\ntol_m = 0.3 # seperation tolerance in Angstroms\nrad = np.pi / 180.0 # converting degrees to radians\ndeg = 180.0 / np.pi # converting radians to degrees\npyxtal_verbosity = 1 # constant for printx function\n# Max number of atoms per molecule before using fast distance check\nmax_fast_mol_size = 30\nletters = \"abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ\"\nltype_keywords = [\n \"triclinic\",\n \"Triclinic\",\n \"monoclinic\",\n \"Monoclinic\",\n \"orthorhombic\",\n \"Orthorhombic\",\n \"tetragonal\",\n \"Tetragonal\",\n \"trigonal\",\n \"Trigonal\",\n \"hexagonal\",\n \"Hexagonal\",\n \"cubic\",\n \"Cubic\",\n \"spherical\",\n \"Spherical\",\n \"ellipsoidal\",\n \"Ellipsoidal\",\n]\nsingle_smiles = [\n \"Cl-\",\n \"F-\",\n \"Br-\",\n \"I-\",\n \"Li+\",\n \"Na+\",\n \"Cs+\",\n \"Rb+\",\n \"[Cl-]\",\n \"[F-]\",\n \"[Br-]\",\n \"[I-]\",\n \"[Li+]\",\n \"[Na+]\",\n \"[Cs+]\",\n \"Rb+\",\n]\nhex_cell = np.array([[1, -0.5, 0], [0, np.sqrt(3) / 2, 0], [0, 0, 1]])\nall_sym_directions = [\n (1, 0, 0),\n (0, 1, 0),\n (0, 0, 1),\n (1, 1, 1),\n (1, -1, -1),\n (-1, 1, -1),\n (-1, -1, 1),\n (1, -1, 0),\n (1, 1, 0),\n (0, 1, -1),\n (0, 1, 1),\n (-1, 0, 1),\n (1, 0, 1),\n (1, -2, 0),\n (2, -1, 0),\n]\n\nlogo = rf\"\"\"#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version {__version__:>8s})--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\n\"\"\"\n\n\"\"\"\nReferences:\n- International Tables for Crystallography, Volume A\n\"\"\"\n# Asymmetric unit bounds for 230 space groups\n# Format: space_group_number x_min x_max y_min y_max z_min z_max\nASU_bounds = np.array([\n [ 0, 1, 0, 1, 0, 1], # SG 1\n [ 0, 1/2, 0, 1, 0, 1], # SG 2\n [ 0, 1, 0, 1, 0, 1/2], # SG 3\n [ 0, 1, 0, 1, 0, 1/2], # SG 4\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 5\n [ 0, 1, 0, 1/2, 0, 1], # SG 6\n [ 0, 1, 0, 1/2, 0, 1], # SG 7\n [ 0, 1, 0, 1/4, 0, 1], # SG 8\n [ 0, 1, 0, 1/4, 0, 1], # SG 9\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 10\n [ 0, 1, 0, 1/4, 0, 1], # SG 11\n [ 0, 1/2, 0, 1/4, 0, 1], # SG 12\n [ 0, 1/2, 0, 1, 0, 1/2], # SG 13\n [ 0, 1, 0, 1/4, 0, 1], # SG 14\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 15\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 16\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 17\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 18\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 19\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 20\n [ 0, 1/4, 0, 1/2, 0, 1], # SG 21\n [ 0, 1/4, 0, 1/4, 0, 1], # SG 22\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 23\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 24\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 25\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 26\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 27\n [ 0, 1/4, 0, 1, 0, 1], # SG 28\n [ 0, 1/4, 0, 1, 0, 1], # SG 29\n [ 0, 1/2, 0, 1, 0, 1/2], # SG 30\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 31\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 32\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 33\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 34\n [ 0, 1/4, 0, 1/2, 0, 1], # SG 35\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 36\n [ 0, 1/4, 0, 1/2, 0, 1], # SG 37\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 38\n [ 0, 1/2, 0, 1/4, 0, 1], # SG 39\n [ 0, 1/4, 0, 1/2, 0, 1], # SG 40\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 41\n [ 0, 1/4, 0, 1/4, 0, 1], # SG 42\n [ 0, 1/4, 0, 1/4, 0, 1], # SG 43\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 44\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 45\n [ 0, 1/4, 0, 1, 0, 1/2], # SG 46\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 47\n [ 0, 1/4, -1/4, 1/4, 0, 1], # SG 48\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 49\n [ 0, 1/4, 0, 1, 0, 1/2], # SG 50\n [ 0, 1/4, 0, 1/2, 0, 1], # SG 51\n [ 0, 1, 0, 1/4, 0, 1/2], # SG 52\n [ 0, 1/2, 0, 1, 0, 1/4], # SG 53\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 54\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 55\n [ 0, 1/4, 0, 1, 0, 1/2], # SG 56\n [ 0, 1/2, 0, 1, 0, 1/4], # SG 57\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 58\n [ 0, 1/4, -1/4, 1/4, 0, 1], # SG 59\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 60\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 61\n [ 0, 1/2, 0, 1/4, 0, 1], # SG 62\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 63\n [ 0, 1/4, 0, 1/2, 0, 1/2], # SG 64\n [ 0, 1/4, 0, 1/2, 0, 1/2], # SG 65\n [ 0, 1/4, 0, 1/2, 0, 1/2], # SG 66\n [ 0, 1/2, 0, 1/4, 0, 1/2], # SG 67\n [ 0, 1/2, 0, 1/4, 0, 1/2], # SG 68\n [ 0, 1/4, 0, 1/4, 0, 1/2], # SG 69\n [ 0, 1/8, -1/8, 1/8, 0, 1], # SG 70\n [ 0, 1/4, 0, 1/2, 0, 1/2], # SG 71\n [ 0, 1/4, 0, 1/2, 0, 1/2], # SG 72\n [ 0, 1/4, 0, 1/2, 0, 1/2], # SG 73\n [ 0, 1/4, 0, 1/4, 0, 1], # SG 74\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 75\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 76\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 77\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 78\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 79\n [ 0, 1/2, 0, 1, 0, 1/4], # SG 80\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 81\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 82\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 83\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 84\n [ -1/4, 1/4, -1/4, 1/4, 0, 1/2], # SG 85\n [ -1/4, 1/4, -1/4, 1/4, 0, 1/2], # SG 86\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 87\n [ 0, 1/4, 0, 1/4, 0, 1], # SG 88\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 89\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 90\n [ 0, 1, 0, 1, 0, 1/8], # SG 91\n [ 0, 1, 0, 1, 0, 1/8], # SG 92\n [ 0, 1/2, 0, 1, 0, 1/4], # SG 93\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 94\n [ 0, 1, 0, 1, 0, 1/8], # SG 95\n [ 0, 1, 0, 1, 0, 1/8], # SG 96\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 97\n [ 0, 1/2, 0, 1, 0, 1/8], # SG 98\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 99\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 100\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 101\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 102\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 103\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 104\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 105\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 106\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 107\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 108\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 109\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 110\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 111\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 112\n [ 0, 1/2, 0, 1/2, 0, 1], # SG 113\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 114\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 115\n [ 0, 1/2, 0, 1, 0, 1/4], # SG 116\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 117\n [ 0, 1/2, 0, 1, 0, 1/4], # SG 118\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 119\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 120\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 121\n [ 0, 1/2, 0, 1, 0, 1/8], # SG 122\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 123\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 124\n [ -1/4, 1/4, -1/4, 1/4, 0, 1/2], # SG 125\n [ -1/4, 1/4, -1/4, 1/4, 0, 1/4], # SG 126\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 127\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 128\n [ -1/4, 1/4, -1/4, 1/4, 0, 1/2], # SG 129\n [ -1/4, 1/4, -1/4, 1/4, 0, 1/4], # SG 130\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 131\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 132\n [ -1/4, 1/4, -1/4, 1/4, 0, 1/4], # SG 133\n [ -1/4, 1/4, -1/4, 1/4, 0, 1/2], # SG 134\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 135\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 136\n [ -1/4, 1/4, -1/4, 1/4, 0, 1/4], # SG 137\n [ -1/4, 1/4, -1/4, 1/4, 0, 1/2], # SG 138\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 139\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 140\n [ 0, 1/2, -1/4, 1/4, 0, 1/8], # SG 141\n [ 0, 1/2, -1/4, 1/4, 0, 1/8], # SG 142\n [ 0, 2/3, 0, 2/3, 0, 1], # SG 143\n [ 0, 1, 0, 1, 0, 1/3], # SG 144\n [ 0, 1, 0, 1, 0, 1/3], # SG 145\n [ 0, 2/3, 0, 2/3, 0, 1/3], # SG 146\n [ 0, 2/3, 0, 2/3, 0, 1/2], # SG 147\n [ 0, 2/3, 0, 2/3, 0, 1/6], # SG 148\n [ 0, 2/3, 0, 2/3, 0, 1/2], # SG 149\n [ 0, 2/3, 0, 2/3, 0, 1/2], # SG 150\n [ 0, 1, 0, 1, 0, 1/6], # SG 151\n [ 0, 1, 0, 1, 0, 1/6], # SG 152\n [ 0, 1, 0, 1, 0, 1/6], # SG 153\n [ 0, 1, 0, 1, 0, 1/6], # SG 154\n [ 0, 2/3, 0, 2/3, 0, 1/6], # SG 155\n [ 0, 2/3, 0, 2/3, 0, 1], # SG 156\n [ 0, 2/3, 0, 1/2, 0, 1], # SG 157\n [ 0, 2/3, 0, 2/3, 0, 1/2], # SG 158\n [ 0, 2/3, 0, 2/3, 0, 1/2], # SG 159\n [ 0, 2/3, 0, 2/3, 0, 1/3], # SG 160\n [ 0, 2/3, 0, 2/3, 0, 1/6], # SG 161\n [ 0, 2/3, 0, 1/2, 0, 1/2], # SG 162\n [ 0, 2/3, 0, 2/3, 0, 1/4], # SG 163\n [ 0, 2/3, 0, 1/3, 0, 1], # SG 164\n [ 0, 2/3, 0, 2/3, 0, 1/4], # SG 165\n [ 0, 2/3, 0, 2/3, 0, 1/6], # SG 166\n [ 0, 2/3, 0, 2/3, 0, 1/12], # SG 167\n [ 0, 2/3, 0, 1/2, 0, 1], # SG 168\n [ 0, 1, 0, 1, 0, 1/6], # SG 169\n [ 0, 1, 0, 1, 0, 1/6], # SG 170\n [ 0, 1, 0, 1, 0, 1/3], # SG 171\n [ 0, 1, 0, 1, 0, 1/3], # SG 172\n [ 0, 2/3, 0, 2/3, 0, 1/2], # SG 173\n [ 0, 2/3, 0, 2/3, 0, 1/2], # SG 174\n [ 0, 2/3, 0, 1/2, 0, 1/2], # SG 175\n [ 0, 2/3, 0, 2/3, 0, 1/4], # SG 176\n [ 0, 2/3, 0, 1/2, 0, 1/2], # SG 177\n [ 0, 1, 0, 1, 0, 1/12], # SG 178\n [ 0, 1, 0, 1, 0, 1/12], # SG 179\n [ 0, 1, 0, 1, 0, 1/6], # SG 180\n [ 0, 1, 0, 1, 0, 1/6], # SG 181\n [ 0, 2/3, 0, 2/3, 0, 1/4], # SG 182\n [ 0, 2/3, 0, 1/3, 0, 1], # SG 183\n [ 0, 2/3, 0, 1/2, 0, 1/2], # SG 184\n [ 0, 2/3, 0, 1/2, 0, 1/2], # SG 185\n [ 0, 2/3, 0, 1/3, 0, 1], # SG 186\n [ 0, 2/3, 0, 2, 0, 1/2], # SG 187\n [ 0, 2/3, 0, 2, 0, 1/4], # SG 188\n [ 0, 2/3, 0, 1/2, 0, 1/2], # SG 189\n [ 0, 2/3, 0, 2, 0, 1/4], # SG 190\n [ 0, 2/3, 0, 1/3, 0, 1/2], # SG 191\n [ 0, 2/3, 0, 1/2, 0, 1/4], # SG 192\n [ 0, 2/3, 0, 1/2, 0, 1/4], # SG 193\n [ 0, 2/3, 0, 2, 0, 1/4], # SG 194\n [ 0, 1, 0, 1, 0, 1/2], # SG 195\n [ 0, 1/2, 0, 1/2, -1/4, 1/4], # SG 196\n [ 0, 1, 0, 1/2, 0, 1/2], # SG 197\n [ 0, 1/2, 0, 1/2, -1/2, 1/2], # SG 198\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 199\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 200\n [ -1/4, 3/4, -1/4, 1/4, -1/4, 1/4], # SG 201\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 202\n [ -1/8, 3/8, -1/8, 1/8, -3/8, 1/8], # SG 203\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 204\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 205\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 206\n [ 0, 1, 0, 1/2, 0, 1/2], # SG 207\n [ 0, 1/2, 0, 1/2, -1/4, 1/4], # SG 208\n [ 0, 1/2, 0, 1/4, -1/4, 1/4], # SG 209\n [ 0, 1/2, -1/8, 1/8, -1/8, 1/8], # SG 210\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 211\n [ 0, 1/2, 0, 3, -1/2, 1/4], # SG 212\n [ -1/4, 1/2, 0, 3, 0, 1/2], # SG 213\n [ -3/8, 1/8, -1/8, 1/8, -1/8, 3/8], # SG 214\n [ 0, 1, 0, 1/2, 0, 1/2], # SG 215\n [ 0, 1/2, 0, 1/4, -1/4, 1/4], # SG 216\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 217\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 218\n [ 0, 1/2, 0, 1/4, -1/4, 1/4], # SG 219\n [ 1/4, 1/2, 1/4, 1/2, 0, 1/2], # SG 220\n [ 0, 1/2, 0, 1/2, 0, 1/2], # SG 221\n [ 1/4, 3/4, 1/4, 3, 1/4, 3/4], # SG 222\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 223\n [ 1/4, 3, 1/4, 3, 0, 1/2], # SG 224\n [ 0, 1/2, 0, 1/4, 0, 1/4], # SG 225\n [ 0, 1/2, 0, 1/4, 0, 1/4], # SG 226\n [ -1/8, 3/8, -1/8, 0, -1/4, 0], # SG 227\n [ -1/8, 3/8, -1/8, 0, -1/4, 0], # SG 228\n [ 0, 1/2, 0, 1/2, 0, 1/4], # SG 229\n [ -1/8, 1/8, -1/8, 1/8, 0, 1/4], # SG 230\n ])\n\n# Dictionary mapping space group numbers to their additional ASU conditions\n# Format: {space_group: [(condition_function, description), ...]}\n\nASU_ADDITIONAL_CONDITIONS = {\n # Tetragonal Space Groups\n 75: [(\"x <= y\", \"x ≤ y\")], # P4\n 76: [(\"x <= y\", \"x ≤ y\")], # P4₁\n 77: [(\"x <= y\", \"x ≤ y\")], # P4₂\n 78: [(\"x <= y\", \"x ≤ y\")], # P4₃\n 81: [(\"x <= y\", \"x ≤ y\")], # P-4\n 83: [(\"x <= y\", \"x ≤ y\")], # P4/m\n 84: [(\"x <= y\", \"x ≤ y\")], # P4₂/m\n 85: [(\"x <= y\", \"x ≤ y\")], # P4/n\n 86: [(\"x <= y\", \"x ≤ y\")], # P4₂/n\n 89: [(\"x <= y\", \"x ≤ y\")], # P422\n 90: [(\"x <= y\", \"x ≤ y\")], # P42₁2\n 91: [(\"x <= y\", \"x ≤ y\")], # P4₁22\n 92: [(\"x <= y\", \"x ≤ y\")], # P4₁2₁2\n 93: [(\"x <= y\", \"x ≤ y\")], # P4₂22\n 94: [(\"x <= y\", \"x ≤ y\")], # P4₂2₁2\n 95: [(\"x <= y\", \"x ≤ y\")], # P4₃22\n 96: [(\"x <= y\", \"x ≤ y\")], # P4₃2₁2\n 99: [(\"x <= y\", \"x ≤ y\")], # P4mm\n 100: [(\"x <= y\", \"x ≤ y\")], # P4bm\n 101: [(\"x <= y\", \"x ≤ y\")], # P4₂cm\n 102: [(\"x <= y\", \"x ≤ y\")], # P4₂nm\n 103: [(\"x <= y\", \"x ≤ y\")], # P4cc\n 104: [(\"x <= y\", \"x ≤ y\")], # P4nc\n 105: [(\"x <= y\", \"x ≤ y\")], # P4₂mc\n 106: [(\"x <= y\", \"x ≤ y\")], # P4₂bc\n 107: [(\"x <= y\", \"x ≤ y\")], # I4mm\n 108: [(\"x <= y\", \"x ≤ y\")], # I4cm\n 111: [(\"x <= y\", \"x ≤ y\")], # P-42m\n 112: [(\"x <= y\", \"x ≤ y\")], # P-42c\n 113: [(\"x <= y\", \"x ≤ y\")], # P-42₁m\n 114: [(\"x <= y\", \"x ≤ y\")], # P-42₁c\n 115: [(\"x <= y\", \"x ≤ y\")], # P-4m2\n 116: [(\"x <= y\", \"x ≤ y\")], # P-4c2\n 117: [(\"x <= y\", \"x ≤ y\")], # P-4b2\n 118: [(\"x <= y\", \"x ≤ y\")], # P-4n2\n 119: [(\"x <= y\", \"x ≤ y\")], # I-4m2\n 120: [(\"x <= y\", \"x ≤ y\")], # I-4c2\n 123: [(\"x <= y\", \"x ≤ y\")], # P4/mmm\n 124: [(\"x <= y\", \"x ≤ y\")], # P4/mcc\n 125: [(\"x <= y\", \"x ≤ y\")], # P4/nbm\n 126: [(\"x <= y\", \"x ≤ y\")], # P4/nnc\n 127: [(\"x <= y\", \"x ≤ y\")], # P4/mbm\n 128: [(\"x <= y\", \"x ≤ y\")], # P4/mnc\n 129: [(\"x <= y\", \"x ≤ y\")], # P4/nmm\n 130: [(\"x <= y\", \"x ≤ y\")], # P4/ncc\n 131: [(\"x <= y\", \"x ≤ y\")], # P4₂/mmc\n 132: [(\"x <= y\", \"x ≤ y\")], # P4₂/mcm\n 133: [(\"x <= y\", \"x ≤ y\")], # P4₂/nbc\n 134: [(\"x <= y\", \"x ≤ y\")], # P4₂/nnm\n 135: [(\"x <= y\", \"x ≤ y\")], # P4₂/mbc\n 136: [(\"x <= y\", \"x ≤ y\")], # P4₂/mnm\n 137: [(\"x <= y\", \"x ≤ y\")], # P4₂/nmc\n 138: [(\"x <= y\", \"x ≤ y\")], # P4₂/ncm\n 139: [(\"x <= y\", \"x ≤ y\")], # I4/mmm\n 140: [(\"x <= y\", \"x ≤ y\")], # I4/mcm\n 141: [(\"x <= y\", \"x ≤ y\")], # I4₁/amd\n 142: [(\"x <= y\", \"x ≤ y\")], # I4₁/acd\n\n # Trigonal Space Groups (with hexagonal axes)\n 143: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P3\n 144: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P3₁\n 145: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P3₂\n 149: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P312\n 150: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P321\n 151: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P3₁12\n 152: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P3₁21\n 153: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P3₂12\n 154: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P3₂21\n 156: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P3m1\n 157: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P31m\n 158: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P3c1\n 159: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P31c\n 162: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P-31m\n 163: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P-31c\n 164: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P-3m1\n 165: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P-3c1\n\n # Trigonal Space Groups with R centering\n 146: [\n (\"x <= (1 + y) / 2\", \"x ≤ (1+y)/2\"),\n (\"y <= min(1 - x, (1 + x) / 2)\", \"y ≤ min(1-x, (1+x)/2)\")\n ], # R3 (hexagonal)\n\n # Hexagonal Space Groups\n 168: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6\n 169: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6₁\n 170: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6₅\n 171: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6₂\n 172: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6₄\n 173: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6₃\n 175: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6/m\n 176: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6₃/m\n 177: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P622\n 178: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6₁22\n 179: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6₅22\n 180: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6₂22\n 181: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6₄22\n 182: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6₃22\n 183: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6mm\n 184: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6cc\n 185: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6₃cm\n 186: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6₃mc\n 187: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P-6m2\n 188: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P-6c2\n 189: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P-62m\n 190: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P-62c\n 191: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6/mmm\n 192: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6/mcc\n 193: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6₃/mcm\n 194: [(\"x <= y\", \"x ≤ y\"), (\"y <= 0.5\", \"y ≤ 1/2\")], # P6₃/mmc\n\n # Cubic Space Groups\n 195: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # P23\n 196: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # F23\n 197: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # I23\n 198: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # P2₁3\n 199: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # I2₁3\n 200: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # Pm-3\n 201: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # Pn-3\n 202: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # Fm-3\n 203: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # Fd-3\n 204: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # Im-3\n 205: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # Pa-3\n 206: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # Ia-3\n 207: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # P432\n 208: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # P4₂32\n 209: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # F432\n 210: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # F4₁32\n 211: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # I432\n 212: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # P4₃32\n 213: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # P4₁32\n 214: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # I4₁32\n 215: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # P-43m\n 216: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # F-43m\n 217: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # I-43m\n 218: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # P-43n\n 219: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # F-43c\n 220: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # I-43d\n 221: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # Pm-3m\n 222: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # Pn-3n\n 223: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # Pm-3n\n 224: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # Pn-3m\n 225: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # Fm-3m\n 226: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # Fm-3c\n 227: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # Fd-3m\n 228: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # Fd-3c\n 229: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # Im-3m\n 230: [(\"x <= y\", \"x ≤ y\"), (\"y <= z\", \"y ≤ z\")], # Ia-3d\n}\n\ndef get_additional_asu_conditions(space_group: int):\n \"\"\"\n Get additional ASU conditions for a space group.\n\n Args:\n space_group: Space group number (1-230)\n\n Returns:\n List of tuples (condition_string, description) or empty list\n \"\"\"\n return ASU_ADDITIONAL_CONDITIONS.get(space_group, [])\n" }, { "path": "pyxtal/crystal.py", "content": "\"\"\"\nModule for generating atomic crystals\n\"\"\"\n\n# Standard Libraries\nfrom __future__ import annotations\n\nfrom copy import deepcopy\nfrom typing import TYPE_CHECKING\nfrom warnings import warn\n\nimport numpy as np\n\nfrom pyxtal.database.element import Element\nfrom pyxtal.lattice import Lattice\nfrom pyxtal.msg import Comp_CompatibilityError, VolumeError\n\nfrom pyxtal.symmetry import Group, choose_wyckoff\nfrom pyxtal.tolerance import Tol_matrix\nfrom pyxtal.wyckoff_site import atom_site\n\nif TYPE_CHECKING:\n from numpy.random import Generator\n\n\n# Define functions\n# ------------------------------\nclass random_crystal:\n \"\"\"\n Class for storing and generating atomic crystals based on symmetry\n constraints. Given a spacegroup, list of atomic symbols, the stoichiometry,\n and a volume factor, generates a random crystal consistent with the\n spacegroup's symmetry.\n\n Args:\n dim: dimenion (0, 1, 2, 3)\n group: the group number (1-56, 1-75, 1-80, 1-230)\n species: a list of atomic symbols for each ion type, e.g., `[\"Ti\", \"O\"]`\n numIons: a list of the number of each type of atom within the\n primitive cell (NOT the conventional cell), e.g., `[4, 2]`\n factor (optional): volume factor used to generate the crystal\n sites (optional): pre-assigned wyckoff sites (e.g., `[[\"4a\"], [\"2b\"]]`)\n lattice (optional): `Lattice `_ object to\n define the unit cell\n tm (optional): `Tol_matrix `_ object\n to define the distances\n \"\"\"\n\n def __init__(\n self,\n dim=3,\n group=227,\n species=None,\n numIons=8,\n factor=1.1,\n thickness=None,\n area=None,\n lattice=None,\n sites=None,\n conventional=True,\n tm=None,\n use_hall=False,\n random_state: int | None | Generator = None,\n use_asu: bool = False,\n ):\n # Initialize\n self.rng = np.random.default_rng(random_state)\n if species is None:\n species = [\"C\"]\n\n self.source = \"Random\"\n self.valid = False\n self.factor = factor\n self.min_density = 0.75\n self.use_asu = use_asu\n\n # Dimesion\n self.dim = dim\n self.area = area # Cross-section area for 1D\n self.thickness = thickness # Thickness of 2D slab\n self.lattice0 = lattice\n\n # The periodic boundary condition\n if dim == 3:\n self.PBC = [1, 1, 1]\n elif dim == 2:\n self.PBC = [1, 1, 0]\n elif dim == 1:\n self.PBC = [0, 0, 1]\n elif dim == 0:\n self.PBC = [0, 0, 0]\n\n # Symmetry group\n if isinstance(group, Group):\n self.group = group\n else:\n self.group = Group(group, dim=self.dim, use_hall=use_hall)\n self.number = self.group.number\n self.symbol = self.group.symbol\n\n # Composition\n numIons = np.array(numIons)\n mul = self.group.cellsize() if not conventional else 1\n self.numIons = numIons * mul\n self.species = species\n\n # Tolerance matrix\n if tm is None:\n self.tol_matrix = Tol_matrix(prototype=\"atomic\")\n elif isinstance(tm, Tol_matrix):\n self.tol_matrix = tm\n else:\n self.tol_matrix = Tol_matrix(prototype=tm)\n\n # Wyckoff sites\n self.set_sites(sites)\n\n # Lattice and coordinates\n compat, self.has_freedom = self.group.check_compatible(self.numIons)\n if not compat:\n self.valid = False\n msg = \"Composition \" + str(self.numIons)\n msg += \" not compatible with symmetry \"\n msg += str(self.group.number)\n raise Comp_CompatibilityError(msg)\n\n self.set_elemental_volumes()\n self.set_crystal()\n\n def __str__(self):\n if self.valid:\n s = f\"------Crystal from {self.source:s}------\"\n s += f\"\\nDimension: {self.dim}\"\n s += f\"\\nGroup: {self.symbol} ({self.number})\"\n s += f\"\\n{self.lattice}\"\n s += \"\\nWyckoff sites:\"\n for wyc in self.atom_sites:\n s += f\"\\n\\t{wyc}\"\n else:\n s = \"\\nStructure not available.\"\n return s\n\n def __repr__(self):\n return str(self)\n\n def set_sites(self, sites):\n \"\"\"\n Initialize Wyckoff sites.\n\n Parameters\n ----------\n sites : list\n List of Wyckoff sites for each species.\n \"\"\"\n # Symmetry sites\n self.sites = {}\n for i, specie in enumerate(self.species):\n if sites is not None and sites[i] is not None and len(sites[i]) > 0:\n self.sites[specie] = []\n self._check_consistency(sites[i], self.numIons[i])\n\n if isinstance(sites[i], dict):\n for item in sites[i].items():\n # keep the record of wp index\n id = self.group.get_index_by_letter(item[0])\n if isinstance(item[1][0], list):\n for it in range(len(item[1])):\n self.sites[specie].append((id, item[1][it]))\n else:\n self.sites[specie].append((id, item[1]))\n elif isinstance(sites[i], (list, tuple)):\n for site in sites[i]:\n if type(site) is tuple:\n (letter, x, y, z) = site\n id = self.group.get_index_by_letter(letter)\n self.sites[specie].append((id, (x, y, z)))\n else:\n id = self.group.get_index_by_letter(site)\n self.sites[specie].append(id)\n else:\n self.sites[specie] = None\n\n def set_elemental_volumes(self):\n \"\"\"\n Set up the radii for each specie.\n \"\"\"\n self.elemental_volumes = []\n for specie in self.species:\n sp = Element(specie)\n vol1, vol2 = sp.covalent_radius**3, sp.vdw_radius**3\n self.elemental_volumes.append([4 / 3 * np.pi * vol1, 4 / 3 * np.pi * vol2])\n\n def set_volume(self):\n \"\"\"\n Estimate the volume of a unit cell based on the number and types of ions.\n\n The volume is calculated assuming each atom occupies a sphere with radius\n equal to its covalent bond radius. Example conversions:\n - 0.50 Å radius → 0.52 ų\n - 0.62 Å radius → 1.00 ų\n - 0.75 Å radius → 1.76 ų\n\n Note:\n Set the volume attribute used for crystal generation.\n \"\"\"\n vmin_array = np.array([v[0] for v in self.elemental_volumes])\n vmax_array = np.array([v[1] for v in self.elemental_volumes])\n\n random_volumes = self.rng.uniform(vmin_array, vmax_array, size=len(self.numIons))\n volume = np.sum(np.array(self.numIons) * random_volumes)\n\n self.volume = self.factor * volume\n\n # make sure the volume is not too small\n if self.volume / sum(self.numIons) < self.min_density:\n self.volume = sum(self.numIons) * self.min_density\n\n def set_lattice(self, lattice):\n \"\"\"\n Generate or set the crystal lattice.\n\n Args:\n lattice : Lattice object, optional\n A pre-defined lattice object to use. If None, a new lattice will be generated\n based on the crystal's symmetry group and dimensionality.\n\n Raises\n ------\n RuntimeError\n If a valid lattice cannot be generated after 10 attempts with increasing volume.\n\n\n Note:\n When generating a new lattice (lattice=None):\n - For 2D crystals, unique axis is 'c' for groups 3-7, 'a' otherwise\n - For 1D crystals, unique axis is 'a' for groups 3-7, 'c' otherwise\n - For 3D crystals, unique axis is always 'c'\n If lattice generation fails due to volume constraints, the volume is incrementally\n increased by 10% for up to 10 attempts.\n When using a provided lattice, the lattice's periodic boundary conditions (PBC) are adjusted to match the crystal's PBC\n \"\"\"\n\n if lattice is not None:\n # Use the provided lattice\n self.lattice = lattice\n self.volume = lattice.volume\n # Make sure the custom lattice PBC axes are correct.\n if lattice.PBC != self.PBC:\n self.lattice.PBC = self.PBC\n else:\n # Determine the unique axis\n if self.dim == 2:\n unique_axis = \"c\" if self.number in range(3, 8) else \"a\"\n elif self.dim == 1:\n unique_axis = \"a\" if self.number in range(3, 8) else \"c\"\n else:\n unique_axis = \"c\"\n\n # Generate a Lattice instance\n good_lattice = False\n for _cycle in range(10):\n try:\n self.lattice = Lattice(\n self.group.lattice_type,\n self.volume,\n PBC=self.PBC,\n unique_axis=unique_axis,\n thickness=self.thickness,\n area=self.area,\n random_state=self.rng,\n )\n good_lattice = True\n break\n except VolumeError:\n self.volume *= 1.1\n warn(f\"Warning: increase the volume by 1.1 times: {self.volume:.2f}\")\n\n if not good_lattice:\n msg = f\"Volume estimation {self.volume:.2f} is very bad with the given composition {self.numIons}\"\n raise RuntimeError(msg)\n\n def set_crystal(self):\n \"\"\"\n The main code to generate a random atomic crystal.\n If successful, `self.valid` is True\n \"\"\"\n self.numattempts = 0\n if not self.has_freedom:\n self.lattice_attempts = 5\n self.coord_attempts = 5\n else:\n self.lattice_attempts = 40\n self.coord_attempts = 10\n\n # QZ: Maybe we no longer need this tag\n # if not self.lattice.allow_volume_reset:\n # self.lattice_attempts = 1\n\n for cycle1 in range(self.lattice_attempts):\n self.set_volume()\n self.set_lattice(self.lattice0)\n # print(\"VOLUME\", cycle1, self.volume)\n self.cycle1 = cycle1\n for cycle2 in range(self.coord_attempts):\n self.cycle2 = cycle2\n output = self._set_coords()\n\n if output:\n self.atom_sites = output\n break\n if self.valid:\n return\n else:\n self.lattice.reset_matrix()\n\n return\n\n def _set_coords(self):\n \"\"\"\n Generate coordinates for random crystal.\n \"\"\"\n wyks = []\n cell = self.lattice.matrix\n # generate coordinates for each ion type in turn\n for numIon, specie in zip(self.numIons, self.species):\n output = self._set_ion_wyckoffs(numIon, specie, cell, wyks)\n if output is not None:\n wyks.extend(output)\n else:\n # correct multiplicity not achieved exit and start over\n return None\n\n # If numIon_added correct for all specie return structure\n self.valid = True\n return wyks\n\n def _set_ion_wyckoffs(self, numIon, specie, cell, wyks):\n \"\"\"\n Generate a set of wyckoff positions to accomodate a given number\n of ions\n\n Args:\n numIon: Number of ions to accomodate\n specie: Type of species being placed on wyckoff site\n cellx: Matrix of lattice vectors\n wyks: current wyckoff sites\n\n Returns:\n Sucess:\n wyckoff_sites_tmp: list of wyckoff sites for valid sites\n Failue:\n None\n\n \"\"\"\n numIon_added = 0\n tol = self.tol_matrix.get_tol(specie, specie)\n wyckoff_sites_tmp = []\n\n # Now we start to add the specie to the wyckoff position\n sites_list = deepcopy(self.sites[specie]) # the list of Wyckoff site\n if sites_list is not None:\n wyckoff_attempts = max(len(sites_list) * 2, 10)\n else:\n # the minimum numattempts is to put all atoms to the general WPs\n min_wyckoffs = int(numIon / len(self.group.wyckoffs_organized[0][0]))\n wyckoff_attempts = max(2 * min_wyckoffs, 10)\n\n cycle = 0\n while cycle < wyckoff_attempts:\n # Choose a random WP for given multiplicity: 2a, 2b\n site = sites_list[0] if sites_list is not None and len(sites_list) > 0 else None\n\n new_site = None\n if type(site) is tuple: # site with coordinates\n # print(site)\n (index, xyz) = site\n wp = self.group[index]\n new_site = atom_site(wp, xyz, specie)\n else:\n if site is not None:\n wp = self.group[site]\n if self.use_asu:\n xmin, xmax, ymin, ymax, zmin, zmax = self.group.get_ASU()\n # Generate a random point based on (min, max) ranges\n pt = self.rng.uniform([xmin, ymin, zmin], [xmax, ymax, zmax])\n else:\n pt = self.lattice.generate_point()\n\n # avoid using the merge function\n if len(wp.short_distances(pt, cell, tol)) > 0:\n # print('bad pt', pt, wp.short_distances(pt, cell, tol))\n cycle += 1\n continue\n # update pt\n pt = wp.project(pt, cell, self.PBC)\n # print('good', pt, tol, len(wp.short_distances(pt, cell, tol)))\n else:\n # generate wp\n wp = choose_wyckoff(self.group, numIon - numIon_added, site, self.dim, self.rng)\n if wp is not False:\n # print(wp.letter)\n # Generate a list of coords from ops\n if self.use_asu:\n xmin, xmax, ymin, ymax, zmin, zmax = self.group.get_ASU()\n # Generate a random point based on (min, max) ranges\n pt = self.rng.uniform([xmin, ymin, zmin], [xmax, ymax, zmax])\n else:\n pt = self.lattice.generate_point()\n pt, wp, _ = wp.merge(pt, cell, tol, group=self.group)\n # print('good pt', pt)\n if wp is not False:\n # For pure planar structure\n if self.dim == 2 and self.thickness is not None and self.thickness < 0.1:\n pt[-1] = 0.5\n new_site = atom_site(wp, pt, specie)\n\n # Check current WP against existing WP's\n if self.check_wp(wyckoff_sites_tmp, wyks, cell, new_site, tol):\n if sites_list is not None and len(sites_list) > 0:\n sites_list.pop(0)\n wyckoff_sites_tmp.append(new_site)\n numIon_added += new_site.multiplicity\n\n # Check if enough atoms have been added\n if numIon_added == numIon:\n return wyckoff_sites_tmp\n\n cycle += 1\n self.numattempts += 1\n\n return None\n\n def check_wp(self, wyckoff_sites_tmp, wyks, cell, new_site, tol):\n # Check current WP against existing WP's\n if new_site is None:\n return False\n\n return all(new_site.check_with_ws2(ws, cell, tol) for ws in wyckoff_sites_tmp + wyks)\n\n def _check_consistency(self, site, numIon):\n num = 0\n for s in site:\n if isinstance(s, dict):\n for key in s:\n num += int(key[:-1])\n elif isinstance(s, tuple):\n (letter, x, y, z) = s\n num += int(letter[:-1])\n else:\n num += int(s[:-1])\n if numIon == num:\n return True\n else:\n diff = numIon - num\n if diff > 0:\n # check if compatible\n compat, self.has_freedom = self.group.check_compatible([diff])\n if compat:\n return True\n else:\n msg = (\n f\"\\nfrom numIons: {numIon:d}\"\n f\"\\nfrom Wyckoff list: {num:d}\"\n f\"\\nThe number is incompatible with composition: {site}\"\n )\n raise ValueError(msg)\n\n msg = (\n f\"\\nfrom numIons: {numIon:d}\"\n f\"\\nfrom Wyckoff list: {num:d}\"\n f\"\\nThe requested number is greater than composition: {site}\"\n )\n raise ValueError(msg)\n" }, { "path": "pyxtal/database/HM_Full.csv", "content": "Hall,Spg_num,Spg_full,Symbol,P,P^-1,Permutation\n1,1,1,P 1,\"a,b,c\",\"a,b,c\",0\n2,2,2,P -1,\"a,b,c\",\"a,b,c\",0\n3,3,3:b,P 1 2 1,\"a,b,c\",\"a,b,c\",0\n4,3,3:c,P 1 1 2,\"c,a,b\",\"b,c,a\",1\n5,3,3:a,P 2 1 1,\"b,c,a\",\"c,a,b\",1\n6,4,4:b,P 1 21 1,\"a,b,c\",\"a,b,c\",0\n7,4,4:c,P 1 1 21,\"c,a,b\",\"b,c,a\",1\n8,4,4:a,P 21 1 1,\"b,c,a\",\"c,a,b\",1\n9,5,5:b1,C 1 2 1,\"a,b,c\",\"a,b,c\",0\n10,5,5:b2,A 1 2 1,\"c,-b,a\",\"c,-b,a\",0\n11,5,5:b3,I 1 2 1,\"c,b,-a-c\",\"-a-c,b,a\",0\n12,5,5:c1,A 1 1 2,\"c,a,b\",\"b,c,a\",1\n13,5,5:c2,B 1 1 2,\"a,c,-b\",\"a,-c,b\",1\n14,5,5:c3,I 1 1 2,\"-a-c,c,b\",\"-a-b,c,b\",1\n15,5,5:a1,B 2 1 1,\"b,c,a\",\"c,a,b\",1\n16,5,5:a2,C 2 1 1,\"-b,a,c\",\"b,-a,c\",1\n17,5,5:a3,I 2 1 1,\"b,-a-c,c\",\"-b-c,a,c\",1\n18,6,6:b,P 1 m 1,\"a,b,c\",\"a,b,c\",0\n19,6,6:c,P 1 1 m,\"c,a,b\",\"b,c,a\",1\n20,6,6:a,P m 1 1,\"b,c,a\",\"c,a,b\",1\n21,7,7:b1,P 1 c 1,\"a,b,c\",\"a,b,c\",0\n22,7,7:b2,P 1 n 1,\"-a-c,b,a\",\"c,b,-a-c\",0\n23,7,7:b3,P 1 a 1,\"c,-b,a\",\"c,-b,a\",0\n24,7,7:c1,P 1 1 a,\"c,a,b\",\"b,c,a\",1\n25,7,7:c2,P 1 1 n,\"a,-a-c,b\",\"a,c,-a-b\",1\n26,7,7:c3,P 1 1 b,\"a,c,-b\",\"a,-c,b\",1\n27,7,7:a1,P b 1 1,\"b,c,a\",\"c,a,b\",1\n28,7,7:a2,P n 1 1,\"b,a,-a-c\",\"b,a,-b-c\",1\n29,7,7:a3,P c 1 1,\"-b,a,c\",\"b,-a,c\",1\n30,8,8:b1,C 1 m 1,\"a,b,c\",\"a,b,c\",0\n31,8,8:b2,A 1 m 1,\"c,-b,a\",\"c,-b,a\",0\n32,8,8:b3,I 1 m 1,\"c,b,-a-c\",\"-a-c,b,a\",0\n33,8,8:c1,A 1 1 m,\"c,a,b\",\"b,c,a\",1\n34,8,8:c2,B 1 1 m,\"a,c,-b\",\"a,-c,b\",1\n35,8,8:c3,I 1 1 m,\"-a-c,c,b\",\"-a-b,c,b\",1\n36,8,8:a1,B m 1 1,\"b,c,a\",\"c,a,b\",1\n37,8,8:a2,C m 1 1,\"-b,a,c\",\"b,-a,c\",1\n38,8,8:a3,I m 1 1,\"b,-a-c,c\",\"-b-c,a,c\",1\n39,9,9:b1,C 1 c 1,\"a,b,c\",\"a,b,c\",0\n40,9,9:b2,A 1 n 1,\"-a-c,b,a\",\"c,b,-a-c\",0\n41,9,9:b3,I 1 a 1,\"c,b,-a-c\",\"-a-c,b,a\",0\n42,9,9:-b1,A 1 a 1,\"c,-b,a\",\"c,-b,a\",0\n43,9,9:-b2,C 1 n 1,\"a,-b,-a-c\",\"a,-b,-a-c\",0\n44,9,9:-b3,I 1 c 1,\"-a-c,-b,c\",\"-a-c,-b,c\",0\n45,9,9:c1,A 1 1 a,\"c,a,b\",\"b,c,a\",1\n46,9,9:c2,B 1 1 n,\"a,-a-c,b\",\"a,c,-a-b\",1\n47,9,9:c3,I 1 1 b,\"-a-c,c,b\",\"-a-b,c,b\",1\n48,9,9:-c1,B 1 1 b,\"a,c,-b\",\"a,-c,b\",1\n49,9,9:-c2,A 1 1 n,\"-a-c,a,-b\",\"b,-c,-a-b\",1\n50,9,9:-c3,I 1 1 a,\"c,-a-c,-b\",\"-a-b,-c,a\",1\n51,9,9:a1,B b 1 1,\"b,c,a\",\"c,a,b\",1\n52,9,9:a2,C n 1 1,\"b,a,-a-c\",\"b,a,-b-c\",1\n53,9,9:a3,I c 1 1,\"b,-a-c,c\",\"-b-c,a,c\",1\n54,9,9:-a1,C c 1 1,\"-b,a,c\",\"b,-a,c\",1\n55,9,9:-a2,B n 1 1,\"-b,-a-c,a\",\"c,-a,-b-c\",1\n56,9,9:-a3,I b 1 1,\"-b,c,-a-c\",\"-b-c,-a,b\",1\n57,10,10:b,P 1 2/m 1,\"a,b,c\",\"a,b,c\",0\n58,10,10:c,P 1 1 2/m,\"c,a,b\",\"b,c,a\",1\n59,10,10:a,P 2/m 1 1,\"b,c,a\",\"c,a,b\",1\n60,11,11:b,P 1 21/m 1,\"a,b,c\",\"a,b,c\",0\n61,11,11:c,P 1 1 21/m,\"c,a,b\",\"b,c,a\",1\n62,11,11:a,P 21/m 1 1,\"b,c,a\",\"c,a,b\",1\n63,12,12:b1,C 1 2/m 1,\"a,b,c\",\"a,b,c\",0\n64,12,12:b2,A 1 2/m 1,\"c,-b,a\",\"c,-b,a\",0\n65,12,12:b3,I 1 2/m 1,\"c,b,-a-c\",\"-a-c,b,a\",0\n66,12,12:c1,A 1 1 2/m,\"c,a,b\",\"b,c,a\",1\n67,12,12:c2,B 1 1 2/m,\"a,c,-b\",\"a,-c,b\",1\n68,12,12:c3,I 1 1 2/m,\"-a-c,c,b\",\"-a-b,c,b\",1\n69,12,12:a1,B 2/m 1 1,\"b,c,a\",\"c,a,b\",1\n70,12,12:a2,C 2/m 1 1,\"-b,a,c\",\"b,-a,c\",1\n71,12,12:a3,I 2/m 1 1,\"b,-a-c,c\",\"-b-c,a,c\",1\n72,13,13:b1,P 1 2/c 1,\"a,b,c\",\"a,b,c\",0\n73,13,13:b2,P 1 2/n 1,\"-a-c,b,a\",\"c,b,-a-c\",0\n74,13,13:b3,P 1 2/a 1,\"c,-b,a\",\"c,-b,a\",0\n75,13,13:c1,P 1 1 2/a,\"c,a,b\",\"b,c,a\",1\n76,13,13:c2,P 1 1 2/n,\"a,-a-c,b\",\"a,c,-a-b\",1\n77,13,13:c3,P 1 1 2/b,\"a,c,-b\",\"a,-c,b\",1\n78,13,13:a1,P 2/b 1 1,\"b,c,a\",\"c,a,b\",1\n79,13,13:a2,P 2/n 1 1,\"b,a,-a-c\",\"b,a,-b-c\",1\n80,13,13:a3,P 2/c 1 1,\"-b,a,c\",\"b,-a,c\",1\n81,14,14:b1,P 1 21/c 1,\"a,b,c\",\"a,b,c\",0\n82,14,14:b2,P 1 21/n 1,\"-a-c,b,a\",\"c,b,-a-c\",0\n83,14,14:b3,P 1 21/a 1,\"c,-b,a\",\"c,-b,a\",0\n84,14,14:c1,P 1 1 21/a,\"c,a,b\",\"b,c,a\",1\n85,14,14:c2,P 1 1 21/n,\"a,-a-c,b\",\"a,c,-a-b\",1\n86,14,14:c3,P 1 1 21/b,\"-a-c,c,b\",\"-a-b,c,b\",1\n87,14,14:a1,P 21/b 1 1,\"b,c,a\",\"c,a,b\",1\n88,14,14:a2,P 21/n 1 1,\"b,a,-a-c\",\"b,a,-b-c\",1\n89,14,14:a3,P 21/c 1 1,\"b,-a-c,c\",\"-b-c,a,c\",1\n90,15,15:b1,C 1 2/c 1,\"a,b,c\",\"a,b,c\",0\n91,15,15:b2,A 1 2/n 1,\"-a-c,b,a\",\"c,b,-a-c\",0\n92,15,15:b3,I 1 2/a 1,\"c,b,-a-c\",\"-a-c,b,a\",0\n93,15,15:-b1,A 1 2/a 1,\"c,-b,a\",\"c,-b,a\",0\n94,15,15:-b2,C 1 2/n 1,\"a,-b,-a-c\",\"a,-b,-a-c\",0\n95,15,15:-b3,I 1 2/c 1,\"-a-c,-b,c\",\"-a-c,-b,c\",0\n96,15,15:c1,A 1 1 2/a,\"c,a,b\",\"b,c,a\",1\n97,15,15:c2,B 1 1 2/n,\"a,-a-c,b\",\"a,c,-a-b\",1\n98,15,15:c3,I 1 1 2/b,\"-a-c,c,b\",\"-a-b,c,b\",1\n99,15,15:-c1,B 1 1 2/b,\"a,c,-b\",\"a,-c,b\",1\n100,15,15:-c2,A 1 1 2/n,\"-a-c,a,-b\",\"b,-c,-a-b\",1\n101,15,15:-c3,I 1 1 2/a,\"c,-a-c,-b\",\"-a-b,-c,a\",1\n102,15,15:a1,B 2/b 1 1,\"b,c,a\",\"c,a,b\",1\n103,15,15:a2,C 2/n 1 1,\"b,a,-a-c\",\"b,a,-b-c\",1\n104,15,15:a3,I 2/c 1 1,\"b,-a-c,c\",\"-b-c,a,c\",1\n105,15,15:-a1,C 2/c 1 1,\"-b,a,c\",\"b,-a,c\",1\n106,15,15:-a2,B 2/n 1 1,\"-b,-a-c,a\",\"c,-a,-b-c\",1\n107,15,15:-a3,I 2/b 1 1,\"-b,c,-a-c\",\"-b-c,-a,b\",1\n108,16,16,P 2 2 2,\"a,b,c\",\"a,b,c\",0\n109,17,17,P 2 2 21,\"a,b,c\",\"a,b,c\",0\n110,17,17:cab,P 21 2 2,\"c,a,b\",\"b,c,a\",1\n111,17,17:bca,P 2 21 2,\"b,c,a\",\"c,a,b\",1\n112,18,18,P 21 21 2,\"a,b,c\",\"a,b,c\",0\n113,18,18:cab,P 2 21 21,\"c,a,b\",\"b,c,a\",1\n114,18,18:bca,P 21 2 21,\"b,c,a\",\"c,a,b\",1\n115,19,19,P 21 21 21,\"a,b,c\",\"a,b,c\",0\n116,20,20,C 2 2 21,\"a,b,c\",\"a,b,c\",0\n117,20,20:cab,A 21 2 2,\"c,a,b\",\"b,c,a\",1\n118,20,20:bca,B 2 21 2,\"b,c,a\",\"c,a,b\",1\n119,21,21,C 2 2 2,\"a,b,c\",\"a,b,c\",0\n120,21,21:cab,A 2 2 2,\"c,a,b\",\"b,c,a\",1\n121,21,21:bca,B 2 2 2,\"b,c,a\",\"c,a,b\",1\n122,22,22,F 2 2 2,\"a,b,c\",\"a,b,c\",0\n123,23,23,I 2 2 2,\"a,b,c\",\"a,b,c\",0\n124,24,24,I 21 21 21,\"a,b,c\",\"a,b,c\",0\n125,25,25,P m m 2,\"a,b,c\",\"a,b,c\",0\n126,25,25:cab,P 2 m m,\"c,a,b\",\"b,c,a\",1\n127,25,25:bca,P m 2 m,\"b,c,a\",\"c,a,b\",1\n128,26,26,P m c 21,\"a,b,c\",\"a,b,c\",0\n129,26,26:ba-c,P c m 21,\"b,a,-c\",\"b,a,-c\",1\n130,26,26:cab,P 21 m a,\"c,a,b\",\"b,c,a\",1\n131,26,26:-cba,P 21 a m,\"-c,b,a\",\"c,b,-a\",1\n132,26,26:bca,P b 21 m,\"b,c,a\",\"c,a,b\",1\n133,26,26:a-cb,P m 21 b,\"a,-c,b\",\"a,c,-b\",1\n134,27,27,P c c 2,\"a,b,c\",\"a,b,c\",0\n135,27,27:cab,P 2 a a,\"c,a,b\",\"b,c,a\",1\n136,27,27:bca,P b 2 b,\"b,c,a\",\"c,a,b\",1\n137,28,28,P m a 2,\"a,b,c\",\"a,b,c\",0\n138,28,28:ba-c,P b m 2,\"b,a,-c\",\"b,a,-c\",1\n139,28,28:cab,P 2 m b,\"c,a,b\",\"b,c,a\",1\n140,28,28:-cba,P 2 c m,\"-c,b,a\",\"c,b,-a\",1\n141,28,28:bca,P c 2 m,\"b,c,a\",\"c,a,b\",1\n142,28,28:a-cb,P m 2 a,\"a,-c,b\",\"a,c,-b\",1\n143,29,29,P c a 21,\"a,b,c\",\"a,b,c\",0\n144,29,29:ba-c,P b c 21,\"b,a,-c\",\"b,a,-c\",1\n145,29,29:cab,P 21 a b,\"c,a,b\",\"b,c,a\",1\n146,29,29:-cba,P 21 c a,\"-c,b,a\",\"c,b,-a\",1\n147,29,29:bca,P c 21 b,\"b,c,a\",\"c,a,b\",1\n148,29,29:a-cb,P b 21 a,\"a,-c,b\",\"a,c,-b\",1\n149,30,30,P n c 2,\"a,b,c\",\"a,b,c\",0\n150,30,30:ba-c,P c n 2,\"b,a,-c\",\"b,a,-c\",1\n151,30,30:cab,P 2 n a,\"c,a,b\",\"b,c,a\",1\n152,30,30:-cba,P 2 a n,\"-c,b,a\",\"c,b,-a\",1\n153,30,30:bca,P b 2 n,\"b,c,a\",\"c,a,b\",1\n154,30,30:a-cb,P n 2 b,\"a,-c,b\",\"a,c,-b\",1\n155,31,31,P m n 21,\"a,b,c\",\"a,b,c\",0\n156,31,31:ba-c,P n m 21,\"b,a,-c\",\"b,a,-c\",1\n157,31,31:cab,P 21 m n,\"c,a,b\",\"b,c,a\",1\n158,31,31:-cba,P 21 n m,\"-c,b,a\",\"c,b,-a\",1\n159,31,31:bca,P n 21 m,\"b,c,a\",\"c,a,b\",1\n160,31,31:a-cb,P m 21 n,\"a,-c,b\",\"a,c,-b\",1\n161,32,32,P b a 2,\"a,b,c\",\"a,b,c\",0\n162,32,32:cab,P 2 c b,\"c,a,b\",\"b,c,a\",1\n163,32,32:bca,P c 2 a,\"b,c,a\",\"c,a,b\",1\n164,33,33,P n a 21,\"a,b,c\",\"a,b,c\",0\n165,33,33:ba-c,P b n 21,\"b,a,-c\",\"b,a,-c\",1\n166,33,33:cab,P 21 n b,\"c,a,b\",\"b,c,a\",1\n167,33,33:-cba,P 21 c 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z ≤ 1\n10 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n11 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1\n12 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1\n13 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/2\n14 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1\n15 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n16 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n17 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n18 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n19 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n20 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n21 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n22 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1\n23 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n24 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n25 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n26 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n27 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n28 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1\n29 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1\n30 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/2\n31 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n32 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n33 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n34 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n35 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n36 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n37 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n38 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n39 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1\n40 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n41 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n42 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1\n43 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1\n44 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n45 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n46 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/2\n47 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n48 : 0 ≤ x ≤ 1/4 ; −1/4 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1\n49 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n50 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/2\n51 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n52 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1/2\n53 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/4\n54 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n55 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n56 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/2\n57 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/4\n58 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n59 : 0 ≤ x ≤ 1/4 ; −1/4 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1\n60 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n61 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n62 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1\n63 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/4\n64 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n65 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n66 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n67 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1/2\n68 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1/2\n69 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1/2\n70 : 0 ≤ x ≤ 1/8 ; −1/8 ≤ y ≤ 1/8 ; 0 ≤ z ≤ 1\n71 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n72 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n73 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n74 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1\n75 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n76 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n77 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n78 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n79 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n80 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/4\n81 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n82 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n83 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n84 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n85 : −1/4 ≤ x ≤ 1/4 ; −1/4 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1/2\n86 : −1/4 ≤ x ≤ 1/4 ; −1/4 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1/2\n87 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/4\n88 : 0 ≤ x ≤ 1/4 ; 0 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1\n89 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n90 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n91 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/8\n92 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/8\n93 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/4\n94 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n95 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/8\n96 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/8\n97 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/4\n98 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/8\n99 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n100 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n101 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n102 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n103 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n104 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n105 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n106 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n107 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n108 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n109 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/4\n110 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/4\n111 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n112 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n113 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n114 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n115 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n116 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/4\n117 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n118 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/4\n119 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/4\n120 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/4\n121 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n122 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/8\n123 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n124 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/4\n125 : −1/4 ≤ x ≤ 1/4 ; −1/4 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1/2\n126 : −1/4 ≤ x ≤ 1/4 ; −1/4 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1/4\n127 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n128 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/4\n129 : −1/4 ≤ x ≤ 1/4 ; −1/4 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1/2\n130 : −1/4 ≤ x ≤ 1/4 ; −1/4 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1/4\n131 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/4\n132 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n133 : −1/4 ≤ x ≤ 1/4 ; −1/4 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1/4\n134 : −1/4 ≤ x ≤ 1/4 ; −1/4 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1/2\n135 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/4\n136 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n137 : −1/4 ≤ x ≤ 1/4 ; −1/4 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1/4\n138 : −1/4 ≤ x ≤ 1/4 ; −1/4 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1/2\n139 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/4\n140 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/4\n141 : 0 ≤ x ≤ 1/2 ; −1/4 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1/8\n142 : 0 ≤ x ≤ 1/2 ; −1/4 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1/8\n143 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1\n144 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/3\n145 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/3\n146 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/3\n147 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/2\n148 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/6\n149 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/2\n150 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/2\n151 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/6\n152 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/6\n153 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/6\n154 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/6\n155 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/6\n156 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1\n157 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n158 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/2\n159 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/2\n160 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/3\n161 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/6\n162 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n163 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/4\n164 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 1/3 ; 0 ≤ z ≤ 1\n165 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/4\n166 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/6\n167 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/12\n168 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1\n169 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/6\n170 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/6\n171 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/3\n172 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/3\n173 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/2\n174 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/2\n175 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n176 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/4\n177 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/2\n178 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/12\n179 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/12\n180 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/6\n181 : 0 ≤ x ≤ 1 ; 0 ≤ y ≤ 1 ; 0 ≤ z ≤ 1/6\n182 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 2/3 ; 0 ≤ z ≤ 1/4\n183 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 1/3 ; 0 ≤ z ≤ 1\n184 : 0 ≤ x ≤ 2/3 ; 0 ≤ y ≤ 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1/4\n226 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/4 ; 0 ≤ z ≤ 1/4\n227 : −1/8 ≤ x ≤ 3/8 ; −1/8 ≤ y ≤ 0 ; −1/4 ≤ z ≤ 0\n228 : −1/8 ≤ x ≤ 3/8 ; −1/8 ≤ y ≤ 0 ; −1/4 ≤ z ≤ 0\n229 : 0 ≤ x ≤ 1/2 ; 0 ≤ y ≤ 1/2 ; 0 ≤ z ≤ 1/4\n230 : −1/8 ≤ x ≤ 1/8 ; −1/8 ≤ y ≤ 1/8 ; 0 ≤ z ≤ 1/4\n" }, { "path": "pyxtal/database/atomic_scattering_params.json", "content": "{\"Ru\": [[4.358, 27.881], [3.298, 5.179], [1.323, 0.594], [0, 0]], \"Re\": [[5.695, 28.968], [4.74, 5.156], [2.064, 0.575], [0, 0]], \"Ra\": [[6.215, 28.382], [5.17, 5.002], [2.316, 0.562], [0, 0]], \"Rb\": [[4.776, 140.782], [3.859, 18.991], [2.234, 3.701], [0.868, 0.419]], \"Rn\": [[4.078, 38.406], [4.978, 11.02], [3.096, 2.355], [1.326, 0.299]], \"Rh\": [[4.431, 27.911], [3.343, 5.153], [1.345, 0.592], [0, 0]], \"Be\": [[1.25, 60.804], [1.334, 18.591], [0.36, 3.653], [0.106, 0.416]], \"Ba\": [[7.821, 117.657], [6.004, 18.778], [3.28, 3.263], [1.103, 0.376]], \"Bi\": [[3.841, 50.261], [4.679, 11.999], [3.192, 2.56], [1.363, 0.318]], \"Bk\": [[6.502, 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[3.688, 5.083], [1.5, 0.581], [0, 0]], \"Tb\": [[5.272, 29.046], [4.347, 5.226], [1.844, 0.585], [0, 0]], \"Tc\": [[4.318, 28.246], [3.27, 5.148], [1.287, 0.59], [0, 0]], \"Ta\": [[5.659, 28.807], [4.63, 5.114], [2.014, 0.578], [0, 0]], \"Yb\": [[5.529, 28.927], [4.533, 5.144], [1.945, 0.578], [0, 0]], \"Dy\": [[5.332, 28.888], [4.37, 5.198], [1.863, 0.581], [0, 0]], \"I\": [[3.473, 39.441], [4.06, 11.816], [2.522, 2.415], [0.84, 0.298]], \"U\": [[6.767, 85.951], [6.729, 15.642], [4.014, 2.936], [1.561, 0.335]], \"Y\": [[4.129, 27.548], [3.012, 5.088], [1.179, 0.591], [0, 0]], \"Ac\": [[6.278, 28.323], [5.195, 4.949], [2.321, 0.557], [0, 0]], \"Ag\": [[2.036, 61.497], [3.272, 11.824], [2.511, 2.846], [0.837, 0.327]], \"Ir\": [[5.754, 29.159], [4.851, 5.152], [2.096, 0.57], [0, 0]], \"Am\": [[6.378, 29.156], [5.495, 5.102], [2.495, 0.565], [0, 0]], \"Al\": [[2.276, 72.322], [2.428, 19.773], [0.858, 3.08], [0.317, 0.408]], \"As\": [[2.399, 45.718], [2.79, 12.817], [1.529, 2.28], [0.594, 0.328]], \"Ar\": [[1.274, 26.682], [2.19, 8.813], [0.793, 2.219], [0.326, 0.307]], \"Au\": [[2.388, 42.866], [4.226, 9.743], [2.689, 2.264], [1.255, 0.307]], \"At\": [[6.133, 28.047], [5.031, 4.957], [2.239, 0.558], [0, 0]], \"In\": [[3.153, 66.649], [3.557, 14.449], [2.818, 2.976], [0.884, 0.335]], \"Mo\": [[3.12, 72.464], [3.906, 14.642], [2.361, 3.237], [0.85, 0.366]]}" }, { "path": "pyxtal/database/bonds.json", "content": "{\n \"C-C\": 1.89,\n \"C-H\": 1.32,\n \"C-O\": 1.60,\n \"C-N\": 1.80,\n \"C-S\": 2.00,\n \"C-P\": 1.95,\n \"C-Si\": 2.00,\n \"C-F\": 1.45,\n \"C-Cl\": 1.90,\n \"C-Br\": 2.10,\n \"C-I\": 2.30,\n \"H-C\": 1.32,\n \"H-H\": 0.80,\n \"H-O\": 1.15,\n \"H-N\": 1.22,\n \"H-S\": 1.70,\n \"H-P\": 1.50,\n \"H-Si\": 1.50,\n \"H-F\": 0.90,\n \"H-Cl\": 1.40,\n \"H-Br\": 1.60,\n \"H-I\": 1.80,\n \"O-C\": 1.60,\n \"O-H\": 1.15,\n \"O-O\": 1.50,\n \"O-N\": 1.55,\n \"O-S\": 2.00,\n \"O-P\": 1.90,\n \"O-Si\": 2.00,\n \"O-F\": 1.40,\n \"O-Cl\": 1.80,\n \"O-Br\": 2.00,\n \"O-I\": 2.30,\n \"N-C\": 1.80,\n \"N-H\": 1.22,\n \"N-O\": 1.55,\n \"N-N\": 1.56,\n \"N-S\": 2.05,\n \"N-P\": 1.95,\n \"N-Si\": 1.95,\n \"N-F\": 1.35,\n \"N-Cl\": 1.8,\n \"N-Br\": 1.98,\n \"N-I\": 2.17,\n \"S-C\": 2.00,\n \"S-H\": 1.79,\n \"S-O\": 2.00,\n \"S-N\": 2.05,\n \"S-S\": 2.5,\n \"S-P\": 2.32,\n \"S-Si\": 2.36,\n \"S-F\": 1.82,\n \"S-Cl\": 2.27,\n \"S-Br\": 2.45,\n \"S-I\": 2.64,\n \"P-C\": 1.95,\n \"P-H\": 1.50,\n \"P-O\": 1.90,\n \"P-N\": 1.95,\n \"P-S\": 2.32,\n \"P-P\": 2.64,\n \"P-Si\": 2.18,\n \"P-F\": 1.64,\n \"P-Cl\": 2.09,\n \"P-Br\": 2.27,\n \"P-I\": 2.46,\n \"Si-C\": 2.00,\n \"Si-H\": 1.50,\n \"Si-O\": 2.00,\n \"Si-N\": 1.95,\n \"Si-S\": 2.36,\n \"Si-P\": 2.18,\n \"Si-Si\": 2.22,\n \"Si-F\": 1.68,\n \"Si-Cl\": 2.13,\n \"Si-Br\": 2.31,\n \"Si-I\": 2.5,\n \"F-C\": 1.45,\n \"F-H\": 0.90,\n \"F-O\": 1.40,\n \"F-N\": 1.35,\n \"F-S\": 1.82,\n \"F-P\": 1.64,\n \"F-Si\": 1.68,\n \"F-F\": 1.14,\n \"F-Cl\": 1.59,\n \"F-Br\": 1.77,\n \"F-I\": 1.96,\n \"Cl-C\": 1.90,\n \"Cl-H\": 1.40,\n \"Cl-O\": 1.80,\n \"Cl-N\": 1.8,\n \"Cl-S\": 2.27,\n \"Cl-P\": 2.09,\n \"Cl-Si\": 2.13,\n \"Cl-F\": 1.59,\n \"Cl-Cl\": 2.04,\n \"Cl-Br\": 2.22,\n \"Cl-I\": 2.41,\n \"Br-C\": 2.10,\n \"Br-H\": 1.60,\n \"Br-O\": 2.00,\n \"Br-N\": 1.98,\n \"Br-S\": 2.45,\n \"Br-P\": 2.27,\n \"Br-Si\": 2.31,\n \"Br-F\": 1.77,\n \"Br-Cl\": 2.22,\n \"Br-Br\": 2.4,\n \"Br-I\": 2.59,\n \"I-C\": 2.30,\n \"I-H\": 1.80,\n \"I-O\": 2.30,\n \"I-N\": 2.17,\n \"I-S\": 2.64,\n \"I-P\": 2.46,\n \"I-Si\": 2.5,\n \"I-F\": 1.96,\n \"I-Cl\": 2.41,\n \"I-Br\": 2.59,\n \"I-I\": 2.78\n}\n" }, { "path": "pyxtal/database/bug.json", "content": "{\"lattice\": {\"@module\": \"numpy\", \"@class\": \"array\", \"dtype\": \"float64\", \"data\": [[3.7328477709688332, 2.297987170935623e-15, -18.578844019121945], [0.0, 10.91431, 6.683087403200974e-16], [0.0, 0.0, 31.6721927]]}, \"sites\": [{\"stype\":0, \"position\": {\"@module\": \"numpy\", \"@class\": \"array\", \"dtype\": \"float64\", \"data\": [0.36000000000000004, 0.7499999999999999, 0.6743055555555555]}, \"number\": 7, \"dim\": 3, \"index\": 0, \"diag\": false, \"molecule\": \"56\\nH20 C34 S2\\nC -11.009483 -0.737370 -0.038227\\nC -10.021613 -1.714264 -0.131663\\nC -8.672620 -1.349421 -0.111438\\nC -8.287972 -0.003033 0.003548\\nC -9.300638 0.966214 0.097292\\nC -10.649999 0.603056 0.076049\\nC -6.867176 0.380268 0.025048\\nC -5.853777 -0.591815 -0.032613\\nC -4.490536 -0.245608 -0.012694\\nC -3.493215 -1.233553 -0.073729\\nC -2.132461 -0.862299 -0.051684\\nC -1.757357 0.476221 0.029515\\nC -2.768201 1.466188 0.089755\\nC -4.127520 1.110275 0.068263\\nC -5.132532 2.085863 0.126147\\nC -6.482735 1.724755 0.104003\\nC -0.326030 0.597732 0.036543\\nC 0.326050 -0.597611 -0.036395\\nS -0.786250 -1.937463 -0.117569\\nC 1.757377 -0.476238 -0.029396\\nC 2.132480 0.862366 0.051748\\nS 0.786269 1.937530 0.117633\\nC 3.493234 1.233620 0.073793\\nC 4.490556 0.245592 0.012813\\nC 5.853795 0.591827 0.032594\\nC 6.867094 -0.380256 -0.025066\\nC 6.482654 -1.724827 -0.103966\\nC 5.132552 -2.085880 -0.126028\\nC 4.127539 -1.110346 -0.068228\\nC 2.768222 -1.466150 -0.089552\\nC 8.287991 0.002961 -0.003512\\nC 8.757048 1.085929 -0.765752\\nC 10.106043 1.450363 -0.746158\\nC 11.009495 0.737515 0.037889\\nC 10.565477 -0.339134 0.801343\\nC 9.216236 -0.703008 0.779696\\nH -12.058647 -1.020422 -0.054237\\nH -10.298390 -2.761748 -0.217653\\nH -7.916686 -2.129695 -0.174091\\nH -9.041658 2.020211 0.175926\\nH -11.418359 1.368512 0.146187\\nH -6.135845 -1.641521 -0.106693\\nH -3.761715 -2.285481 -0.138027\\nH -2.478693 2.512981 0.152849\\nH -4.874321 3.140616 0.192072\\nH -7.237382 2.506842 0.161825\\nH 3.761835 2.285410 0.138061\\nH 6.135863 1.641533 0.106673\\nH 7.237301 -2.506914 -0.161788\\nH 4.874241 -3.140633 -0.191951\\nH 2.478714 -2.512943 -0.152647\\nH 8.070017 1.649213 -1.394256\\nH 10.449584 2.289226 -1.345819\\nH 12.058540 1.020698 0.053969\\nH 11.267178 -0.895917 1.416898\\nH 8.888379 -1.540431 1.392429\", \"orientation\": {\"matrix\": {\"@module\": \"numpy\", \"@class\": \"array\", \"dtype\": \"float64\", \"data\": [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]]}, \"degrees\": 2, \"axis\": null}, \"lattice\": {\"@module\": \"numpy\", \"@class\": \"array\", \"dtype\": \"float64\", \"data\": [[3.7328477709688332, 2.297987170935623e-15, -18.578844019121945], [0.0, 10.91431, 6.683087403200974e-16], [0.0, 0.0, 31.6721927]]}, \"lattice_type\": \"monoclinic\", \"rotors\": [-29.216653408097358, -150.54493701647982]}], \"group\": 7, \"molecular\": true, \"numIons\": null, \"numMols\": [2], \"factor\": 1.0, \"PBC\": [1, 1, 1], \"formula\": \"[C1=CC=C(C=C1)C2=CC3=CC4=C(C=C3C=C2)C5=C(S4)C6=C(S5)C=C7C=C(C=CC7=C6)C8=CC=CC=C8]2\", \"source\": \"1D rep.\", \"dim\": 3, \"valid\": true}\n" }, { "path": "pyxtal/database/cifs/0-G62.cif", "content": "#############################################################\n# ______ _ _ _ \t #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | \t #\n# | ____/ | | | ) (| _)/ _ | | \t #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 0.3.7)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at University of Nevada Las Vegas #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Pnma'\n_symmetry_Int_Tables_number 62\n_symmetry_cell_setting orthorhombic\n_cell_length_a 11.607547\n_cell_length_b 8.052585\n_cell_length_c 5.800998\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 90.000000\n_cell_volume 542.223685\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x+1/2, -y, z+1/2'\n3 '-x, y+1/2, -z'\n4 'x+1/2, -y+1/2, -z+1/2'\n5 '-x, -y, -z'\n6 'x+1/2, y, -z+1/2'\n7 'x, -y+1/2, z'\n8 '-x+1/2, y+1/2, z+1/2'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nMg Mg 4 0.379722 0.250000 0.755670 1\nPb Pb 8 0.145331 0.005299 0.791265 1\nW W 4 0.116607 0.250000 0.253990 1\nO O 8 0.133893 0.008343 0.229133 1\nO O 4 0.001323 0.250000 0.014990 1\nO O 4 0.010262 0.250000 0.495392 1\nO O 4 0.235503 0.250000 0.977400 1\nO O 4 0.251460 0.250000 0.462642 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/1-G59.cif", "content": "#############################################################\n# ______ _ _ _ \t #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | \t #\n# | ____/ | | | ) (| _)/ _ | | \t #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 0.3.7)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at University of Nevada Las Vegas #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Pmmn'\n_symmetry_Int_Tables_number 59\n_symmetry_cell_setting orthorhombic\n_cell_length_a 8.052585\n_cell_length_b 5.800998\n_cell_length_c 5.803773\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 90.000000\n_cell_volume 271.111843\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x+1/2, -y+1/2, z'\n3 '-x, y+1/2, -z'\n4 'x+1/2, -y, -z'\n5 '-x, -y, -z'\n6 'x+1/2, y+1/2, -z'\n7 'x, -y+1/2, z'\n8 '-x+1/2, y, z'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nMg Mg 2 0.250000 0.250000 0.259444 1\nW W 2 0.250000 0.750000 0.733214 1\nPb Pb 4 0.494701 0.250000 0.790662 1\nO O 4 0.250000 0.968468 0.502646 1\nO O 4 0.250000 0.006058 0.971006 1\nO O 4 0.991657 0.250000 0.232214 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/191.vasp", "content": " C \n 1.0000000000000000\n 2.5297212763435866 0.0000000000000000 0.0000000000000000\n -1.2648606381717933 2.1908028898075398 0.0000000000000000\n 0.0000000000000000 0.0000000000000000 2.1141589999999999\n C \n 2\nDirect\n 0.3333333333333333 0.6666666666666666 0.5000000000000000\n 0.6666666666666666 0.3333333333333333 0.5000000000000000\n" }, { "path": "pyxtal/database/cifs/2-G71.cif", "content": "#############################################################\n# ______ _ _ _ \t #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | \t #\n# | ____/ | | | ) (| _)/ _ | | \t #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 0.3.9)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at University of Nevada Las Vegas #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Immm'\n_symmetry_Int_Tables_number 71\n_symmetry_cell_setting orthorhombic\n_cell_length_a 5.803773\n_cell_length_b 8.052585\n_cell_length_c 5.800998\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 90.000000\n_cell_volume 271.111843\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x, -y, z'\n3 '-x, y, -z'\n4 'x, -y, -z'\n5 '-x, -y, -z'\n6 'x, y, -z'\n7 'x, -y, z'\n8 '-x, y, z'\n9 'x+1/2, y+1/2, z+1/2'\n10 '-x+1/2, -y+1/2, z+1/2'\n11 '-x+1/2, y+1/2, -z+1/2'\n12 'x+1/2, -y+1/2, -z+1/2'\n13 '-x+1/2, -y+1/2, -z+1/2'\n14 'x+1/2, y+1/2, -z+1/2'\n15 'x+1/2, -y+1/2, z+1/2'\n16 '-x+1/2, y+1/2, z+1/2'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nMg Mg 2 0.000000 0.000000 0.000000 1\nW W 2 0.500000 0.000000 0.500000 1\nPb Pb 4 0.000000 0.744701 0.500000 1\nO O 4 0.000000 0.741657 0.000000 1\nO O 8 0.756798 0.000000 0.718468 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/3-G139.cif", "content": "#############################################################\n# ______ _ _ _ \t #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | \t #\n# | ____/ | | | ) (| _)/ _ | | \t #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 0.3.7)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at University of Nevada Las Vegas #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'I4/mmm'\n_symmetry_Int_Tables_number 139\n_symmetry_cell_setting tetragonal\n_cell_length_a 5.802386\n_cell_length_b 5.802386\n_cell_length_c 8.052585\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 90.000000\n_cell_volume 271.111858\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x, -y, z'\n3 '-y, x, z'\n4 'y, -x, z'\n5 '-x, y, -z'\n6 'x, -y, -z'\n7 'y, x, -z'\n8 '-y, -x, -z'\n9 '-x, -y, -z'\n10 'x, y, -z'\n11 'y, -x, -z'\n12 '-y, x, -z'\n13 'x, -y, z'\n14 '-x, y, z'\n15 '-y, -x, z'\n16 'y, x, z'\n17 'x+1/2, y+1/2, z+1/2'\n18 '-x+1/2, -y+1/2, z+1/2'\n19 '-y+1/2, x+1/2, z+1/2'\n20 'y+1/2, -x+1/2, z+1/2'\n21 '-x+1/2, y+1/2, -z+1/2'\n22 'x+1/2, -y+1/2, -z+1/2'\n23 'y+1/2, x+1/2, -z+1/2'\n24 '-y+1/2, -x+1/2, -z+1/2'\n25 '-x+1/2, -y+1/2, -z+1/2'\n26 'x+1/2, y+1/2, -z+1/2'\n27 'y+1/2, -x+1/2, -z+1/2'\n28 '-y+1/2, x+1/2, -z+1/2'\n29 'x+1/2, -y+1/2, z+1/2'\n30 '-x+1/2, y+1/2, z+1/2'\n31 '-y+1/2, -x+1/2, z+1/2'\n32 'y+1/2, x+1/2, z+1/2'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nMg Mg 2 0.000000 0.000000 0.000000 1\nW W 2 0.000000 0.000000 0.500000 1\nPb Pb 4 0.000000 0.500000 0.250000 1\nO O 4 0.000000 0.000000 0.741657 1\nO O 8 0.737633 0.737633 0.000000 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/4-G225.cif", "content": "#############################################################\n# ______ _ _ _ \t #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | \t #\n# | ____/ | | | ) (| _)/ _ | | \t #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 0.3.7)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at University of Nevada Las Vegas #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Fm-3m'\n_symmetry_Int_Tables_number 225\n_symmetry_cell_setting cubic\n_cell_length_a 8.154737\n_cell_length_b 8.154737\n_cell_length_c 8.154737\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 90.000000\n_cell_volume 542.287804\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x, -y, z'\n3 '-x, y, -z'\n4 'x, -y, -z'\n5 'z, x, y'\n6 'z, -x, -y'\n7 '-z, -x, y'\n8 '-z, x, -y'\n9 'y, z, x'\n10 '-y, z, -x'\n11 'y, -z, -x'\n12 '-y, -z, x'\n13 'y, x, -z'\n14 '-y, -x, -z'\n15 'y, -x, z'\n16 '-y, x, z'\n17 'x, z, -y'\n18 '-x, z, y'\n19 '-x, -z, -y'\n20 'x, -z, y'\n21 'z, y, -x'\n22 'z, -y, x'\n23 '-z, y, x'\n24 '-z, -y, -x'\n25 '-x, -y, -z'\n26 'x, y, -z'\n27 'x, -y, z'\n28 '-x, y, z'\n29 '-z, -x, -y'\n30 '-z, x, y'\n31 'z, x, -y'\n32 'z, -x, y'\n33 '-y, -z, -x'\n34 'y, -z, x'\n35 '-y, z, x'\n36 'y, z, -x'\n37 '-y, -x, z'\n38 'y, x, z'\n39 '-y, x, -z'\n40 'y, -x, -z'\n41 '-x, -z, y'\n42 'x, -z, -y'\n43 'x, z, y'\n44 '-x, z, -y'\n45 '-z, -y, x'\n46 '-z, y, -x'\n47 'z, -y, -x'\n48 'z, y, x'\n49 'x, y+1/2, z+1/2'\n50 '-x, -y+1/2, z+1/2'\n51 '-x, y+1/2, -z+1/2'\n52 'x, -y+1/2, -z+1/2'\n53 'z, x+1/2, y+1/2'\n54 'z, -x+1/2, -y+1/2'\n55 '-z, -x+1/2, y+1/2'\n56 '-z, x+1/2, -y+1/2'\n57 'y, z+1/2, x+1/2'\n58 '-y, z+1/2, -x+1/2'\n59 'y, -z+1/2, -x+1/2'\n60 '-y, -z+1/2, x+1/2'\n61 'y, x+1/2, -z+1/2'\n62 '-y, -x+1/2, -z+1/2'\n63 'y, -x+1/2, z+1/2'\n64 '-y, x+1/2, z+1/2'\n65 'x, z+1/2, -y+1/2'\n66 '-x, z+1/2, y+1/2'\n67 '-x, -z+1/2, -y+1/2'\n68 'x, -z+1/2, y+1/2'\n69 'z, y+1/2, -x+1/2'\n70 'z, -y+1/2, x+1/2'\n71 '-z, y+1/2, x+1/2'\n72 '-z, -y+1/2, -x+1/2'\n73 '-x, -y+1/2, -z+1/2'\n74 'x, y+1/2, -z+1/2'\n75 'x, -y+1/2, z+1/2'\n76 '-x, y+1/2, z+1/2'\n77 '-z, -x+1/2, -y+1/2'\n78 '-z, x+1/2, y+1/2'\n79 'z, x+1/2, -y+1/2'\n80 'z, -x+1/2, y+1/2'\n81 '-y, -z+1/2, -x+1/2'\n82 'y, -z+1/2, x+1/2'\n83 '-y, z+1/2, x+1/2'\n84 'y, z+1/2, -x+1/2'\n85 '-y, -x+1/2, z+1/2'\n86 'y, x+1/2, z+1/2'\n87 '-y, x+1/2, -z+1/2'\n88 'y, -x+1/2, -z+1/2'\n89 '-x, -z+1/2, y+1/2'\n90 'x, -z+1/2, -y+1/2'\n91 'x, z+1/2, y+1/2'\n92 '-x, z+1/2, -y+1/2'\n93 '-z, -y+1/2, x+1/2'\n94 '-z, y+1/2, -x+1/2'\n95 'z, -y+1/2, -x+1/2'\n96 'z, y+1/2, x+1/2'\n97 'x+1/2, y, z+1/2'\n98 '-x+1/2, -y, z+1/2'\n99 '-x+1/2, y, -z+1/2'\n100 'x+1/2, -y, -z+1/2'\n101 'z+1/2, x, y+1/2'\n102 'z+1/2, -x, -y+1/2'\n103 '-z+1/2, -x, y+1/2'\n104 '-z+1/2, x, -y+1/2'\n105 'y+1/2, z, x+1/2'\n106 '-y+1/2, z, -x+1/2'\n107 'y+1/2, -z, -x+1/2'\n108 '-y+1/2, -z, x+1/2'\n109 'y+1/2, x, -z+1/2'\n110 '-y+1/2, -x, -z+1/2'\n111 'y+1/2, -x, z+1/2'\n112 '-y+1/2, x, z+1/2'\n113 'x+1/2, z, -y+1/2'\n114 '-x+1/2, z, y+1/2'\n115 '-x+1/2, -z, -y+1/2'\n116 'x+1/2, -z, y+1/2'\n117 'z+1/2, y, -x+1/2'\n118 'z+1/2, -y, x+1/2'\n119 '-z+1/2, y, x+1/2'\n120 '-z+1/2, -y, -x+1/2'\n121 '-x+1/2, -y, -z+1/2'\n122 'x+1/2, y, -z+1/2'\n123 'x+1/2, -y, z+1/2'\n124 '-x+1/2, y, z+1/2'\n125 '-z+1/2, -x, -y+1/2'\n126 '-z+1/2, x, y+1/2'\n127 'z+1/2, x, -y+1/2'\n128 'z+1/2, -x, y+1/2'\n129 '-y+1/2, -z, -x+1/2'\n130 'y+1/2, -z, x+1/2'\n131 '-y+1/2, z, x+1/2'\n132 'y+1/2, z, -x+1/2'\n133 '-y+1/2, -x, z+1/2'\n134 'y+1/2, x, z+1/2'\n135 '-y+1/2, x, -z+1/2'\n136 'y+1/2, -x, -z+1/2'\n137 '-x+1/2, -z, y+1/2'\n138 'x+1/2, -z, -y+1/2'\n139 'x+1/2, z, y+1/2'\n140 '-x+1/2, z, -y+1/2'\n141 '-z+1/2, -y, x+1/2'\n142 '-z+1/2, y, -x+1/2'\n143 'z+1/2, -y, -x+1/2'\n144 'z+1/2, y, x+1/2'\n145 'x+1/2, y+1/2, z'\n146 '-x+1/2, -y+1/2, z'\n147 '-x+1/2, y+1/2, -z'\n148 'x+1/2, -y+1/2, -z'\n149 'z+1/2, x+1/2, y'\n150 'z+1/2, -x+1/2, -y'\n151 '-z+1/2, -x+1/2, y'\n152 '-z+1/2, x+1/2, -y'\n153 'y+1/2, z+1/2, x'\n154 '-y+1/2, z+1/2, -x'\n155 'y+1/2, -z+1/2, -x'\n156 '-y+1/2, -z+1/2, x'\n157 'y+1/2, x+1/2, -z'\n158 '-y+1/2, -x+1/2, -z'\n159 'y+1/2, -x+1/2, z'\n160 '-y+1/2, x+1/2, z'\n161 'x+1/2, z+1/2, -y'\n162 '-x+1/2, z+1/2, y'\n163 '-x+1/2, -z+1/2, -y'\n164 'x+1/2, -z+1/2, y'\n165 'z+1/2, y+1/2, -x'\n166 'z+1/2, -y+1/2, x'\n167 '-z+1/2, y+1/2, x'\n168 '-z+1/2, -y+1/2, -x'\n169 '-x+1/2, -y+1/2, -z'\n170 'x+1/2, y+1/2, -z'\n171 'x+1/2, -y+1/2, z'\n172 '-x+1/2, y+1/2, z'\n173 '-z+1/2, -x+1/2, -y'\n174 '-z+1/2, x+1/2, y'\n175 'z+1/2, x+1/2, -y'\n176 'z+1/2, -x+1/2, y'\n177 '-y+1/2, -z+1/2, -x'\n178 'y+1/2, -z+1/2, x'\n179 '-y+1/2, z+1/2, x'\n180 'y+1/2, z+1/2, -x'\n181 '-y+1/2, -x+1/2, z'\n182 'y+1/2, x+1/2, z'\n183 '-y+1/2, x+1/2, -z'\n184 'y+1/2, -x+1/2, -z'\n185 '-x+1/2, -z+1/2, y'\n186 'x+1/2, -z+1/2, -y'\n187 'x+1/2, z+1/2, y'\n188 '-x+1/2, z+1/2, -y'\n189 '-z+1/2, -y+1/2, x'\n190 '-z+1/2, y+1/2, -x'\n191 'z+1/2, -y+1/2, -x'\n192 'z+1/2, y+1/2, x'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nMg Mg 4 0.000000 0.000000 0.000000 1\nW W 4 0.500000 0.500000 0.500000 1\nPb Pb 8 0.250000 0.250000 0.250000 1\nO O 24 0.737633 0.000000 0.000000 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/ACBNZA01.cif", "content": "####################################################################### \r\n# \r\n# This file contains crystal structure data downloaded from the \r\n# Cambridge Structural Database (CSD) hosted by the Cambridge \r\n# Crystallographic Data Centre (CCDC).\r\n# \r\n# Full information about CCDC data access policies and citation \r\n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \r\n# \r\n# Audit and citation data items may have been added by the CCDC. \r\n# Please retain this information to preserve the provenance of \r\n# this file and to allow appropriate attribution of the data. \r\n# \r\n#######################################################################\r\n\r\ndata_ACBNZA01\r\n#This CIF has been generated from an entry in the Cambridge Structural Database\r\n_database_code_depnum_ccdc_archive 'CCDC 1100480'\r\n_database_code_CSD ACBNZA01\r\nloop_\r\n_citation_id\r\n_citation_doi\r\n_citation_year\r\n1 10.1039/p29810000233 1981\r\n_audit_creation_method 'Created from the CSD'\r\n_audit_update_record \r\n;\r\n2021-05-20 downloaded from the CCDC.\r\n;\r\n_database_code_NBS 530274\r\n_chemical_formula_moiety 'C9 H10 N2 O2'\r\n_chemical_name_systematic o-Acetamidobenzamide\r\n_chemical_absolute_configuration unk\r\n_diffrn_ambient_temperature 295\r\n_exptl_crystal_density_diffrn 1.34525\r\n#These two values have been output from a single CSD field.\r\n_refine_ls_R_factor_gt 0.04\r\n_refine_ls_wR_factor_gt 0.04\r\n_diffrn_radiation_probe x-ray\r\n_symmetry_cell_setting monoclinic\r\n_symmetry_space_group_name_H-M 'P 21/c'\r\n_symmetry_Int_Tables_number 14\r\n_space_group_name_Hall '-P 2ybc'\r\nloop_\r\n_symmetry_equiv_pos_site_id\r\n_symmetry_equiv_pos_as_xyz\r\n1 x,y,z\r\n2 -x,1/2+y,1/2-z\r\n3 -x,-y,-z\r\n4 x,1/2-y,1/2+z\r\n_cell_length_a 7.807(2)\r\n_cell_length_b 9.039(3)\r\n_cell_length_c 12.706(3)\r\n_cell_angle_alpha 90\r\n_cell_angle_beta 101.12(2)\r\n_cell_angle_gamma 90\r\n_cell_volume 879.796\r\n_cell_formula_units_Z 4\r\nloop_\r\n_atom_site_label\r\n_atom_site_type_symbol\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\nO1 O 0.30640 0.45440 0.06550\r\nO2 O 0.45420 0.44520 0.32870\r\nN1 N 0.49220 0.64630 0.09710\r\nN2 N 0.46900 0.69330 0.32790\r\nC1 C 0.29190 0.71430 0.27310\r\nC2 C 0.23330 0.65510 0.17210\r\nC3 C 0.06020 0.67370 0.12480\r\nC4 C -0.05150 0.75310 0.17440\r\nC5 C 0.00970 0.81400 0.27300\r\nC6 C 0.18060 0.79450 0.32350\r\nC7 C 0.34790 0.57580 0.10840\r\nC8 C 0.53900 0.55890 0.35360\r\nC9 C 0.72320 0.55700 0.41330\r\nH1 H 0.57200 0.60500 0.05200\r\nH2 H 0.51800 0.73400 0.12000\r\nH3 H 0.02400 0.63900 0.05800\r\nH4 H -0.17200 0.76600 0.14200\r\nH5 H -0.05800 0.85900 0.30500\r\nH6 H 0.22600 0.83400 0.39200\r\nH7 H 0.52200 0.77100 0.35000\r\nH8 H 0.77600 0.64700 0.42600\r\nH9 H 0.79000 0.50900 0.36500\r\nH10 H 0.74100 0.48200 0.46500\r\n\r\n#END\r\n" }, { "path": "pyxtal/database/cifs/AXOSOW01.cif", "content": "####################################################################### \r\n# \r\n# This file contains crystal structure data downloaded from the \r\n# Cambridge Structural Database (CSD) hosted by the Cambridge \r\n# Crystallographic Data Centre (CCDC).\r\n# \r\n# Full information about CCDC data access policies and citation \r\n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \r\n# \r\n# Audit and citation data items may have been added by the CCDC. \r\n# Please retain this information to preserve the provenance of \r\n# this file and to allow appropriate attribution of the data. \r\n# \r\n#######################################################################\r\n\r\ndata_expt_XII\r\n_audit_block_doi 10.5517/cc108d0p\r\n_database_code_depnum_ccdc_archive 'CCDC 931581'\r\nloop_\r\n_citation_id\r\n_citation_doi\r\n_citation_year\r\n1 10.1107/S0108768109004066 2009\r\n_audit_update_record \r\n;\r\n2013-03-29 deposited with the CCDC.\t2021-05-12 downloaded from the CCDC.\r\n;\r\n_audit_creation_date 06-12-18\r\n_audit_creation_method CRYSTALS_ver_12.83\r\n_chemical_compound_source 'Aldrich '\r\n_exptl_crystal_recrystallization_method \r\n;\r\nLaser-assisted zone refinement at 178 K.\r\n;\r\n_oxford_structure_analysis_title 'acrolein in Pbca'\r\n_chemical_name_systematic ?\r\n_chemical_melting_point ?\r\n_cell_length_a 6.970(3)\r\n_cell_length_b 9.514(5)\r\n_cell_length_c 9.752(5)\r\n_cell_angle_alpha 90\r\n_cell_angle_beta 90\r\n_cell_angle_gamma 90\r\n_cell_volume 646.7(5)\r\n_symmetry_cell_setting Orthorhombic\r\n_symmetry_space_group_name_H-M 'P b c a '\r\n_symmetry_space_group_name_Hall '-P 2ac 2ab'\r\nloop_\r\n_symmetry_equiv_pos_as_xyz\r\nx,y,z\r\n-x,-y,-z\r\n-x+1/2,y+1/2,z\r\nx+1/2,-y+1/2,-z\r\nx,-y+1/2,z+1/2\r\n-x,y+1/2,-z+1/2\r\n-x+1/2,-y,z+1/2\r\nx+1/2,y,-z+1/2\r\nloop_\r\n_atom_type_symbol\r\n_atom_type_scat_dispersion_real\r\n_atom_type_scat_dispersion_imag\r\n_atom_type_scat_Cromer_Mann_a1\r\n_atom_type_scat_Cromer_Mann_b1\r\n_atom_type_scat_Cromer_Mann_a2\r\n_atom_type_scat_Cromer_Mann_b2\r\n_atom_type_scat_Cromer_Mann_a3\r\n_atom_type_scat_Cromer_Mann_b3\r\n_atom_type_scat_Cromer_Mann_a4\r\n_atom_type_scat_Cromer_Mann_b4\r\n_atom_type_scat_Cromer_Mann_c\r\n_atom_type_scat_source\r\nC 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512\r\n0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'\r\nH 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998\r\n0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'\r\nO 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089\r\n0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'\r\n_cell_formula_units_Z 8\r\n# Given Formula = C3 H4 O1\r\n# Dc = 1.15 Fooo = 240.00 Mu = 0.86 M = 56.06\r\n# Found Formula = C3 H4 O1\r\n# Dc = 1.15 FOOO = 240.00 Mu = 0.86 M = 56.06\r\n_chemical_formula_sum 'C3 H4 O1'\r\n_chemical_formula_moiety 'C3 H4 O1'\r\n_chemical_formula_weight 56.06\r\n_cell_measurement_reflns_used 950\r\n_cell_measurement_theta_min 4\r\n_cell_measurement_theta_max 23.5\r\n_cell_measurement_temperature 150\r\n_exptl_crystal_description cylinder\r\n_exptl_crystal_colour colourless\r\n_exptl_crystal_size_min 0.43\r\n_exptl_crystal_size_mid 0.43\r\n_exptl_crystal_size_max 2.00\r\n_exptl_crystal_density_diffrn 1.152\r\n_exptl_crystal_density_meas ?\r\n# Non-dispersive F(000):\r\n_exptl_crystal_F_000 240\r\n_exptl_absorpt_coefficient_mu 0.086\r\n# Sheldrick geometric approximatio 0.96 0.96\r\n_exptl_absorpt_correction_type multi-scan\r\n_exptl_absorpt_process_details Sadabs\r\n_exptl_absorpt_correction_T_min 0.79\r\n_exptl_absorpt_correction_T_max 0.96\r\n_diffrn_measurement_device_type 'Bruker SMART'\r\n_diffrn_radiation_monochromator graphite\r\n_diffrn_radiation_type 'Mo K\\a'\r\n_diffrn_radiation_wavelength 0.71073\r\n_diffrn_measurement_method \\w\r\n# If a reference occurs more than once, delete the author\r\n# and date from subsequent references.\r\n_computing_data_collection 'SMART (Siemens, 1993)'\r\n_computing_data_reduction 'SAINT (Siemens ,1995)'\r\n_computing_cell_refinement 'SAINT (Siemens ,1995)'\r\n_computing_structure_solution 'SHELXS 86 (Sheldrick, 1986)'\r\n_computing_structure_refinement 'CRYSTALS (Betteridge et al., 2003)'\r\n_computing_publication_material 'CRYSTALS (Betteridge et al., 2003)'\r\n_computing_molecular_graphics 'CAMERON (Watkin et al., 1996)'\r\n_diffrn_standards_interval_time ?\r\n_diffrn_standards_interval_count ?\r\n_diffrn_standards_number 0\r\n_diffrn_standards_decay_% ?\r\n_diffrn_ambient_temperature 150\r\n_diffrn_reflns_number 2237\r\n_reflns_number_total 570\r\n_diffrn_reflns_av_R_equivalents 0.029\r\n# Number of reflections with Friedels Law is 570\r\n# Number of reflections without Friedels Law is 0\r\n# Theoretical number of reflections is about 571\r\n_diffrn_reflns_theta_min 4.179\r\n_diffrn_reflns_theta_max 25.024\r\n_diffrn_measured_fraction_theta_max 0.998\r\n_diffrn_reflns_theta_full 25.024\r\n_diffrn_measured_fraction_theta_full 0.998\r\n_diffrn_reflns_limit_h_min -8\r\n_diffrn_reflns_limit_h_max 8\r\n_diffrn_reflns_limit_k_min -11\r\n_diffrn_reflns_limit_k_max 11\r\n_diffrn_reflns_limit_l_min 0\r\n_diffrn_reflns_limit_l_max 11\r\n_reflns_limit_h_min 0\r\n_reflns_limit_h_max 8\r\n_reflns_limit_k_min 0\r\n_reflns_limit_k_max 11\r\n_reflns_limit_l_min 0\r\n_reflns_limit_l_max 11\r\n_oxford_diffrn_Wilson_B_factor 0.00\r\n_oxford_diffrn_Wilson_scale 0.00\r\n_atom_sites_solution_primary direct #heavy,direct,difmap,geom\r\n# _atom_sites_solution_secondary difmap\r\n_atom_sites_solution_hydrogens difmap\r\n_refine_diff_density_min -0.13\r\n_refine_diff_density_max 0.13\r\n_refine_ls_number_reflns 570\r\n_refine_ls_number_restraints 4\r\n_refine_ls_number_parameters 50\r\n#_refine_ls_R_factor_ref 0.0570\r\n_refine_ls_wR_factor_ref 0.1195\r\n_refine_ls_goodness_of_fit_ref 1.4022\r\n#_reflns_number_all 570\r\n_refine_ls_R_factor_all 0.0570\r\n_refine_ls_wR_factor_all 0.1195\r\n# No actual I/u(I) cutoff was used for refinement. The\r\n# threshold below is used for \"_gt\" information ONLY:\r\n_reflns_threshold_expression I>2.0\\s(I)\r\n_reflns_number_gt 490\r\n_refine_ls_R_factor_gt 0.0447\r\n_refine_ls_wR_factor_gt 0.0996\r\n_refine_ls_shift/su_max 0.013560\r\n# choose from: rm (reference molecule of known chirality),\r\n# ad (anomolous dispersion - Flack), rmad (rm and ad),\r\n# syn (from synthesis), unk (unknown) or . (not applicable).\r\n_chemical_absolute_configuration .\r\n_refine_ls_structure_factor_coef Fsqd\r\n_refine_ls_matrix_type full\r\n_refine_ls_hydrogen_treatment 'restrained refall'\r\n# refxyz, refU, constr or mixed\r\n_refine_ls_weighting_scheme calc\r\n_refine_ls_weighting_details \r\n;\r\nMethod= Modified Sheldrick\r\nw=1/[\\s^2^(F^2^) + ( 0.02P)^2^ + 0.00P]\r\n,where P=(max(Fo^2^,0) + 2Fc^2^)/3\r\n;\r\n# Uequiv = arithmetic mean of Ui i.e. Ueqiv = (U1+U2+U3)/3\r\n# Replace last . with number of unfound hydrogen atomsattached to an atom.\r\n# ..._refinement_flags_...\r\n# . no refinement constraints S special position constraint on site\r\n# G rigid group refinement of site R riding atom\r\n# D distance or angle restraint on site T thermal displacement constraints\r\n# U Uiso or Uij restraint (rigid bond) P partial occupancy constraint\r\nloop_\r\n_atom_site_label\r\n_atom_site_type_symbol\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_U_iso_or_equiv\r\n_atom_site_occupancy\r\n_atom_site_adp_type\r\n_atom_site_refinement_flags_posn\r\n_atom_site_refinement_flags_adp\r\n_atom_site_refinement_flags_occupancy\r\n_atom_site_disorder_assembly\r\n_atom_site_disorder_group\r\n_atom_site_attached_hydrogens\r\nC1 C 0.8803(3) 0.2131(2) 0.4800(2) 0.0535 1.0000 Uani D . . . . .\r\nC2 C 0.9203(3) 0.1717(2) 0.3568(2) 0.0464 1.0000 Uani D . . . . .\r\nC3 C 0.8581(3) 0.0378(2) 0.3071(2) 0.0505 1.0000 Uani D . . . . .\r\nO4 O 0.8889(2) -0.00711(14) 0.19511(17) 0.0666 1.0000 Uani . . . . . .\r\nH5 H 0.785(3) -0.0142(19) 0.3756(17) 0.068(4) 1.0000 Uiso D . . . . .\r\nH11 H 0.807(3) 0.1547(18) 0.5407(17) 0.068(4) 1.0000 Uiso D . . . . .\r\nH12 H 0.924(3) 0.3025(14) 0.516(2) 0.068(4) 1.0000 Uiso D . . . . .\r\nH2 H 0.989(3) 0.2300(18) 0.2936(16) 0.068(4) 1.0000 Uiso D . . . . .\r\nloop_\r\n_atom_site_aniso_label\r\n_atom_site_aniso_U_11\r\n_atom_site_aniso_U_22\r\n_atom_site_aniso_U_33\r\n_atom_site_aniso_U_23\r\n_atom_site_aniso_U_13\r\n_atom_site_aniso_U_12\r\nC1 0.0516(13) 0.0568(14) 0.0521(13) 0.0022(11) -0.0020(9) 0.0067(10)\r\nC2 0.0470(11) 0.0439(11) 0.0484(12) 0.0043(9) -0.0005(9) -0.0021(9)\r\nC3 0.0436(12) 0.0455(11) 0.0623(16) 0.0032(10) -0.0080(11) 0.0023(10)\r\nO4 0.0734(12) 0.0573(11) 0.0690(13) -0.0164(8) -0.0069(9) 0.0042(8)\r\n_refine_ls_extinction_method None\r\n_oxford_refine_ls_scale 0.12307(14)\r\nloop_\r\n_geom_bond_atom_site_label_1\r\n_geom_bond_site_symmetry_1\r\n_geom_bond_atom_site_label_2\r\n_geom_bond_site_symmetry_2\r\n_geom_bond_distance\r\n_geom_bond_publ_flag\r\nC1 . C2 . 1.295(3) yes\r\nC1 . H11 . 0.960(9) no\r\nC1 . H12 . 0.968(9) no\r\nC2 . C3 . 1.430(3) yes\r\nC2 . H2 . 0.958(9) no\r\nC3 . O4 . 1.192(2) yes\r\nC3 . H5 . 0.975(9) no\r\nloop_\r\n_geom_angle_atom_site_label_1\r\n_geom_angle_site_symmetry_1\r\n_geom_angle_atom_site_label_2\r\n_geom_angle_site_symmetry_2\r\n_geom_angle_atom_site_label_3\r\n_geom_angle_site_symmetry_3\r\n_geom_angle\r\n_geom_angle_publ_flag\r\nC2 . C1 . H11 . 120.7(13) no\r\nC2 . C1 . H12 . 122.4(13) no\r\nH11 . C1 . H12 . 116.9(18) no\r\nC1 . C2 . C3 . 121.4(2) yes\r\nC1 . C2 . H2 . 121.9(12) no\r\nC3 . C2 . H2 . 116.7(12) no\r\nC2 . C3 . O4 . 125.1(2) yes\r\nC2 . C3 . H5 . 112.2(13) no\r\nO4 . C3 . H5 . 122.7(13) no\r\n" }, { "path": "pyxtal/database/cifs/Al2SiO5_mp-4753_symmetrized.cif", "content": "# generated using pymatgen\ndata_Al2SiO5\n_symmetry_space_group_name_H-M Pnnm\n_cell_length_a 7.87578500\n_cell_length_b 7.97942000\n_cell_length_c 5.61389800\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 58\n_chemical_formula_structural Al2SiO5\n_chemical_formula_sum 'Al8 Si4 O20'\n_cell_volume 352.80090817\n_cell_formula_units_Z 4\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\n 2 '-x, -y, -z'\n 3 '-x, -y, z'\n 4 'x, y, -z'\n 5 'x+1/2, -y+1/2, -z+1/2'\n 6 '-x+1/2, y+1/2, z+1/2'\n 7 '-x+1/2, y+1/2, -z+1/2'\n 8 'x+1/2, -y+1/2, z+1/2'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 4 0.00000000 0.00000000 0.24176400 1\n Al Al1 4 0.12942900 0.63918100 0.00000000 1\n Si Si2 4 0.24575200 0.25224100 0.00000000 1\n O O3 8 0.23075400 0.13422900 0.23971600 1\n O O4 4 0.07587800 0.86359200 0.50000000 1\n O O5 4 0.07596900 0.86286100 0.00000000 1\n O O6 4 0.10253200 0.40066200 0.00000000 1\n" }, { "path": "pyxtal/database/cifs/BTO-Amm2.cif", "content": "# generated using pymatgen\ndata_BaTiO3\n_symmetry_space_group_name_H-M Amm2\n_cell_length_a 3.98753100\n_cell_length_b 5.80560800\n_cell_length_c 5.85529200\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 38\n_chemical_formula_structural BaTiO3\n_chemical_formula_sum 'Ba2 Ti2 O6'\n_cell_volume 135.55025498\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\n 2 '-x, -y, z'\n 3 '-x, y, z'\n 4 'x, -y, z'\n 5 'x, y+1/2, z+1/2'\n 6 '-x, -y+1/2, z+1/2'\n 7 '-x, y+1/2, z+1/2'\n 8 'x, -y+1/2, z+1/2'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ba Ba0 2 0.00000000 0.00000000 0.99252100 1\n Ti Ti1 2 0.50000000 0.00000000 0.47548600 1\n O O2 4 0.50000000 0.24129950 0.26831250 1\n O O3 2 0.00000000 0.00000000 0.51546800 1\n" }, { "path": "pyxtal/database/cifs/BTO.cif", "content": "\n#======================================================================\n# CRYSTAL DATA\n#----------------------------------------------------------------------\ndata_VESTA_phase_1\n\n_chemical_name_common 'New structure'\n_cell_length_a 3.999900\n_cell_length_b 3.999900\n_cell_length_c 4.020000\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 90.000000\n_cell_volume 64.316787\n_space_group_name_H-M_alt 'P 4 m m'\n_space_group_IT_number 99\n\nloop_\n_space_group_symop_operation_xyz\n 'x, y, z'\n '-x, -y, z'\n '-y, x, z'\n 'y, -x, z'\n 'x, -y, z'\n '-x, y, z'\n '-y, -x, z'\n 'y, x, z'\n\nloop_\n _atom_site_label\n _atom_site_occupancy\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_adp_type\n _atom_site_B_iso_or_equiv\n _atom_site_type_symbol\n Ba 1.0 0.000000 0.000000 0.000000 Biso 1.000000 Ba\n Ti 1.0 0.500000 0.500000 0.420000 Biso 1.000000 Ti\n O 1.0 0.500000 0.500000 0.030000 Biso 1.000000 O\n O 1.0 0.500000 0.000000 0.580000 Biso 1.000000 O\n" }, { "path": "pyxtal/database/cifs/FAU.cif", "content": "data_FAU\n#**************************************************************************\n#\n# CIF taken from the IZA-SC Database of Zeolite Structures\n# Ch. Baerlocher and L.B. McCusker\n# Database of Zeolite Structures: http://www.iza-structure.org/databases/ \n#\n# The atom coordinates and the cell parameters were optimized with DLS76\n# assuming a pure SiO2 composition.\n#\n#**************************************************************************\n\n_cell_length_a 24.3450(0)\n_cell_length_b 24.3450(0)\n_cell_length_c 24.3450(0)\n_cell_angle_alpha 90.0000(0)\n_cell_angle_beta 90.0000(0)\n_cell_angle_gamma 90.0000(0)\n\n_symmetry_space_group_name_H-M 'F d 3 m'\n_symmetry_Int_Tables_number 227\n_space_group.IT_coordinate_system_code '2'\n_symmetry_cell_setting cubic\n\nloop_\n_symmetry_equiv_pos_as_xyz\n'+x,+y,+z'\n'+x,1/2+y,1/2+z'\n'1/2+x,1/2+y,+z'\n'1/2+x,+y,1/2+z'\n'+z,+x,+y'\n'+z,1/2+x,1/2+y'\n'1/2+z,1/2+x,+y'\n'1/2+z,+x,1/2+y'\n'+y,+z,+x'\n'+y,1/2+z,1/2+x'\n'1/2+y,1/2+z,+x'\n'1/2+y,+z,1/2+x'\n'-x,1/4+y,1/4+z'\n'-x,3/4+y,3/4+z'\n'1/2-x,3/4+y,1/4+z'\n'1/2-x,1/4+y,3/4+z'\n'-z,1/4+x,1/4+y'\n'-z,3/4+x,3/4+y'\n'1/2-z,3/4+x,1/4+y'\n'1/2-z,1/4+x,3/4+y'\n'-y,1/4+z,1/4+x'\n'-y,3/4+z,3/4+x'\n'1/2-y,3/4+z,1/4+x'\n'1/2-y,1/4+z,3/4+x'\n'1/4+x,-y,1/4+z'\n'1/4+x,1/2-y,3/4+z'\n'3/4+x,1/2-y,1/4+z'\n'3/4+x,-y,3/4+z'\n'1/4+z,-x,1/4+y'\n'1/4+z,1/2-x,3/4+y'\n'3/4+z,1/2-x,1/4+y'\n'3/4+z,-x,3/4+y'\n'1/4+y,-z,1/4+x'\n'1/4+y,1/2-z,3/4+x'\n'3/4+y,1/2-z,1/4+x'\n'3/4+y,-z,3/4+x'\n'1/4-x,3/4-y,1/2+z'\n'1/4-x,1/4-y,+z'\n'3/4-x,1/4-y,1/2+z'\n'3/4-x,3/4-y,+z'\n'1/4-z,3/4-x,1/2+y'\n'1/4-z,1/4-x,+y'\n'3/4-z,1/4-x,1/2+y'\n'3/4-z,3/4-x,+y'\n'1/4-y,3/4-z,1/2+x'\n'1/4-y,1/4-z,+x'\n'3/4-y,1/4-z,1/2+x'\n'3/4-y,3/4-z,+x'\n'+y,+x,+z'\n'+y,1/2+x,1/2+z'\n'1/2+y,1/2+x,+z'\n'1/2+y,+x,1/2+z'\n'+x,+z,+y'\n'+x,1/2+z,1/2+y'\n'1/2+x,1/2+z,+y'\n'1/2+x,+z,1/2+y'\n'+z,+y,+x'\n'+z,1/2+y,1/2+x'\n'1/2+z,1/2+y,+x'\n'1/2+z,+y,1/2+x'\n'1/4+y,-x,1/4+z'\n'1/4+y,1/2-x,3/4+z'\n'3/4+y,1/2-x,1/4+z'\n'3/4+y,-x,3/4+z'\n'1/4+x,-z,1/4+y'\n'1/4+x,1/2-z,3/4+y'\n'3/4+x,1/2-z,1/4+y'\n'3/4+x,-z,3/4+y'\n'1/4+z,-y,1/4+x'\n'1/4+z,1/2-y,3/4+x'\n'3/4+z,1/2-y,1/4+x'\n'3/4+z,-y,3/4+x'\n'-y,1/4+x,1/4+z'\n'-y,3/4+x,3/4+z'\n'1/2-y,3/4+x,1/4+z'\n'1/2-y,1/4+x,3/4+z'\n'-x,1/4+z,1/4+y'\n'-x,3/4+z,3/4+y'\n'1/2-x,3/4+z,1/4+y'\n'1/2-x,1/4+z,3/4+y'\n'-z,1/4+y,1/4+x'\n'-z,3/4+y,3/4+x'\n'1/2-z,3/4+y,1/4+x'\n'1/2-z,1/4+y,3/4+x'\n'3/4-y,1/4-x,1/2+z'\n'3/4-y,3/4-x,+z'\n'1/4-y,3/4-x,1/2+z'\n'1/4-y,1/4-x,+z'\n'3/4-x,1/4-z,1/2+y'\n'3/4-x,3/4-z,+y'\n'1/4-x,3/4-z,1/2+y'\n'1/4-x,1/4-z,+y'\n'3/4-z,1/4-y,1/2+x'\n'3/4-z,3/4-y,+x'\n'1/4-z,3/4-y,1/2+x'\n'1/4-z,1/4-y,+x'\n'-x,-y,-z'\n'-x,1/2-y,1/2-z'\n'1/2-x,1/2-y,-z'\n'1/2-x,-y,1/2-z'\n'-z,-x,-y'\n'-z,1/2-x,1/2-y'\n'1/2-z,1/2-x,-y'\n'1/2-z,-x,1/2-y'\n'-y,-z,-x'\n'-y,1/2-z,1/2-x'\n'1/2-y,1/2-z,-x'\n'1/2-y,-z,1/2-x'\n'+x,3/4-y,3/4-z'\n'+x,1/4-y,1/4-z'\n'1/2+x,1/4-y,3/4-z'\n'1/2+x,3/4-y,1/4-z'\n'+z,3/4-x,3/4-y'\n'+z,1/4-x,1/4-y'\n'1/2+z,1/4-x,3/4-y'\n'1/2+z,3/4-x,1/4-y'\n'+y,3/4-z,3/4-x'\n'+y,1/4-z,1/4-x'\n'1/2+y,1/4-z,3/4-x'\n'1/2+y,3/4-z,1/4-x'\n'3/4-x,+y,3/4-z'\n'3/4-x,1/2+y,1/4-z'\n'1/4-x,1/2+y,3/4-z'\n'1/4-x,+y,1/4-z'\n'3/4-z,+x,3/4-y'\n'3/4-z,1/2+x,1/4-y'\n'1/4-z,1/2+x,3/4-y'\n'1/4-z,+x,1/4-y'\n'3/4-y,+z,3/4-x'\n'3/4-y,1/2+z,1/4-x'\n'1/4-y,1/2+z,3/4-x'\n'1/4-y,+z,1/4-x'\n'3/4+x,1/4+y,1/2-z'\n'3/4+x,3/4+y,-z'\n'1/4+x,3/4+y,1/2-z'\n'1/4+x,1/4+y,-z'\n'3/4+z,1/4+x,1/2-y'\n'3/4+z,3/4+x,-y'\n'1/4+z,3/4+x,1/2-y'\n'1/4+z,1/4+x,-y'\n'3/4+y,1/4+z,1/2-x'\n'3/4+y,3/4+z,-x'\n'1/4+y,3/4+z,1/2-x'\n'1/4+y,1/4+z,-x'\n'-y,-x,-z'\n'-y,1/2-x,1/2-z'\n'1/2-y,1/2-x,-z'\n'1/2-y,-x,1/2-z'\n'-x,-z,-y'\n'-x,1/2-z,1/2-y'\n'1/2-x,1/2-z,-y'\n'1/2-x,-z,1/2-y'\n'-z,-y,-x'\n'-z,1/2-y,1/2-x'\n'1/2-z,1/2-y,-x'\n'1/2-z,-y,1/2-x'\n'3/4-y,+x,3/4-z'\n'3/4-y,1/2+x,1/4-z'\n'1/4-y,1/2+x,3/4-z'\n'1/4-y,+x,1/4-z'\n'3/4-x,+z,3/4-y'\n'3/4-x,1/2+z,1/4-y'\n'1/4-x,1/2+z,3/4-y'\n'1/4-x,+z,1/4-y'\n'3/4-z,+y,3/4-x'\n'3/4-z,1/2+y,1/4-x'\n'1/4-z,1/2+y,3/4-x'\n'1/4-z,+y,1/4-x'\n'+y,3/4-x,3/4-z'\n'+y,1/4-x,1/4-z'\n'1/2+y,1/4-x,3/4-z'\n'1/2+y,3/4-x,1/4-z'\n'+x,3/4-z,3/4-y'\n'+x,1/4-z,1/4-y'\n'1/2+x,1/4-z,3/4-y'\n'1/2+x,3/4-z,1/4-y'\n'+z,3/4-y,3/4-x'\n'+z,1/4-y,1/4-x'\n'1/2+z,1/4-y,3/4-x'\n'1/2+z,3/4-y,1/4-x'\n'1/4+y,3/4+x,1/2-z'\n'1/4+y,1/4+x,-z'\n'3/4+y,1/4+x,1/2-z'\n'3/4+y,3/4+x,-z'\n'1/4+x,3/4+z,1/2-y'\n'1/4+x,1/4+z,-y'\n'3/4+x,1/4+z,1/2-y'\n'3/4+x,3/4+z,-y'\n'1/4+z,3/4+y,1/2-x'\n'1/4+z,1/4+y,-x'\n'3/4+z,1/4+y,1/2-x'\n'3/4+z,3/4+y,-x'\n\nloop_\n_atom_site_label\n_atom_site_type_symbol\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\n O1 O 0.8958 0.1042 0.0000\n O2 O 0.9669 0.0762 0.0762\n O3 O 0.9966 0.1429 0.9966\n O4 O 0.9283 0.1770 0.0730\n T1 Si 0.9469 0.1251 0.0364\n" }, { "path": "pyxtal/database/cifs/Fd3.cif", "content": "data_global\r\n_chemical_name_mineral 'Northupite'\r\nloop_\r\n_publ_author_name\r\n'Dal Negro A'\r\n'Giuseppetti G'\r\n'Tadini C'\r\n_journal_name_full 'Tschermaks Mineralogische und Petrographische Mitteilungen'\r\n_journal_volume 22 \r\n_journal_year 1975\r\n_journal_page_first 158\r\n_journal_page_last 163\r\n_publ_section_title\r\n;\r\n Refinement of the crystal structure of northupite: Na3Mg(CO3)2Cl\r\n;\r\n_database_code_amcsd 0015654\r\n_chemical_compound_source 'Searles Lake, California, USA'\r\n_chemical_formula_sum 'Na3 Mg C2 O6 Cl'\r\n_chemical_formula_sum ''\r\n_cell_length_a 14.069\r\n_cell_length_b 14.069\r\n_cell_length_c 14.069\r\n_cell_angle_alpha 90\r\n_cell_angle_beta 90\r\n_cell_angle_gamma 90\r\n_cell_volume 2784.772\r\n_exptl_crystal_density_diffrn 2.373\r\n_symmetry_space_group_name_H-M 'F d 3'\r\nloop_\r\n_space_group_symop_operation_xyz\r\n 'x,y,z'\r\n 'x,1/2+y,1/2+z'\r\n '1/2+x,y,1/2+z'\r\n '1/2+x,1/2+y,z'\r\n '1/4+z,1/4+x,-y'\r\n '1/4+z,3/4+x,1/2-y'\r\n '3/4+z,1/4+x,1/2-y'\r\n '3/4+z,3/4+x,-y'\r\n '1/4+z,-x,1/4+y'\r\n '1/4+z,1/2-x,3/4+y'\r\n '3/4+z,-x,3/4+y'\r\n '3/4+z,1/2-x,1/4+y'\r\n '-z,1/4+x,1/4+y'\r\n '-z,3/4+x,3/4+y'\r\n '1/2-z,1/4+x,3/4+y'\r\n '1/2-z,3/4+x,1/4+y'\r\n '-z,-x,-y'\r\n '-z,1/2-x,1/2-y'\r\n '1/2-z,-x,1/2-y'\r\n '1/2-z,1/2-x,-y'\r\n 'y,3/4-z,3/4-x'\r\n 'y,1/4-z,1/4-x'\r\n '1/2+y,3/4-z,1/4-x'\r\n '1/2+y,1/4-z,3/4-x'\r\n '3/4-y,3/4-z,x'\r\n '3/4-y,1/4-z,1/2+x'\r\n '1/4-y,3/4-z,1/2+x'\r\n '1/4-y,1/4-z,x'\r\n '3/4-y,z,3/4-x'\r\n '3/4-y,1/2+z,1/4-x'\r\n '1/4-y,z,1/4-x'\r\n '1/4-y,1/2+z,3/4-x'\r\n 'y,z,x'\r\n 'y,1/2+z,1/2+x'\r\n '1/2+y,z,1/2+x'\r\n '1/2+y,1/2+z,x'\r\n '1/4+x,-y,1/4+z'\r\n '1/4+x,1/2-y,3/4+z'\r\n '3/4+x,-y,3/4+z'\r\n '3/4+x,1/2-y,1/4+z'\r\n '-x,1/4+y,1/4+z'\r\n '-x,3/4+y,3/4+z'\r\n '1/2-x,1/4+y,3/4+z'\r\n '1/2-x,3/4+y,1/4+z'\r\n '1/4+x,1/4+y,-z'\r\n '1/4+x,3/4+y,1/2-z'\r\n '3/4+x,1/4+y,1/2-z'\r\n '3/4+x,3/4+y,-z'\r\n '-x,-y,-z'\r\n '-x,1/2-y,1/2-z'\r\n '1/2-x,-y,1/2-z'\r\n '1/2-x,1/2-y,-z'\r\n '3/4-z,3/4-x,y'\r\n '3/4-z,1/4-x,1/2+y'\r\n '1/4-z,3/4-x,1/2+y'\r\n '1/4-z,1/4-x,y'\r\n '3/4-z,x,3/4-y'\r\n '3/4-z,1/2+x,1/4-y'\r\n '1/4-z,x,1/4-y'\r\n '1/4-z,1/2+x,3/4-y'\r\n 'z,3/4-x,3/4-y'\r\n 'z,1/4-x,1/4-y'\r\n '1/2+z,3/4-x,1/4-y'\r\n '1/2+z,1/4-x,3/4-y'\r\n 'z,x,y'\r\n 'z,1/2+x,1/2+y'\r\n '1/2+z,x,1/2+y'\r\n '1/2+z,1/2+x,y'\r\n '-y,1/4+z,1/4+x'\r\n '-y,3/4+z,3/4+x'\r\n '1/2-y,1/4+z,3/4+x'\r\n '1/2-y,3/4+z,1/4+x'\r\n '1/4+y,1/4+z,-x'\r\n '1/4+y,3/4+z,1/2-x'\r\n '3/4+y,1/4+z,1/2-x'\r\n '3/4+y,3/4+z,-x'\r\n '1/4+y,-z,1/4+x'\r\n '1/4+y,1/2-z,3/4+x'\r\n '3/4+y,-z,3/4+x'\r\n '3/4+y,1/2-z,1/4+x'\r\n '-y,-z,-x'\r\n '-y,1/2-z,1/2-x'\r\n '1/2-y,-z,1/2-x'\r\n '1/2-y,1/2-z,-x'\r\n '3/4-x,y,3/4-z'\r\n '3/4-x,1/2+y,1/4-z'\r\n '1/4-x,y,1/4-z'\r\n '1/4-x,1/2+y,3/4-z'\r\n 'x,3/4-y,3/4-z'\r\n 'x,1/4-y,1/4-z'\r\n '1/2+x,3/4-y,1/4-z'\r\n '1/2+x,1/4-y,3/4-z'\r\n '3/4-x,3/4-y,z'\r\n '3/4-x,1/4-y,1/2+z'\r\n '1/4-x,3/4-y,1/2+z'\r\n '1/4-x,1/4-y,z'\r\nloop_\r\n_atom_site_label\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_U_iso_or_equiv\r\nNa 0.89770 0.12500 0.12500 0.02001\r\nMg 0.50000 0.50000 0.50000 0.01051\r\nC 0.28309 0.28309 0.28309 0.01013\r\nO 0.26270 0.23011 0.35458 0.01520\r\nCl 0.00000 0.00000 0.00000 0.02647\r\nloop_\r\n_atom_site_aniso_label\r\n_atom_site_aniso_U_11\r\n_atom_site_aniso_U_22\r\n_atom_site_aniso_U_33\r\n_atom_site_aniso_U_12\r\n_atom_site_aniso_U_13\r\n_atom_site_aniso_U_23\r\nNa 0.02026 0.02116 0.01865 0.00000 0.00000 0.00391\r\nMg 0.01043 0.01043 0.01043 -0.00050 -0.00050 -0.00050\r\nC 0.01013 0.01013 0.01013 -0.00211 -0.00211 -0.00211\r\nO 0.01865 0.01434 0.01263 -0.00100 0.00180 0.00321\r\nCl 0.02647 0.02647 0.02647 -0.01023 0.01023 0.01023\r\n" }, { "path": "pyxtal/database/cifs/Fd3.vasp", "content": "Na48 Mg16 C32 Cl16 O96\n1.0\n14.069000 0.000000 0.000000\n0.000000 14.069000 0.000000\n0.000000 0.000000 14.069000\nNa Mg C Cl O\n48 16 32 16 96\ndirect\n0.897700 0.125000 0.125000 Na\n0.897700 0.625000 0.625000 Na\n0.397700 0.125000 0.625000 Na\n0.397700 0.625000 0.125000 Na\n0.375000 0.147700 0.875000 Na\n0.375000 0.647700 0.375000 Na\n0.875000 0.147700 0.375000 Na\n0.875000 0.647700 0.875000 Na\n0.375000 0.102300 0.375000 Na\n0.375000 0.602300 0.875000 Na\n0.875000 0.102300 0.875000 Na\n0.875000 0.602300 0.375000 Na\n0.125000 0.625000 0.852300 Na\n0.125000 0.125000 0.352300 Na\n0.625000 0.625000 0.352300 Na\n0.625000 0.125000 0.852300 Na\n0.625000 0.625000 0.897700 Na\n0.625000 0.125000 0.397700 Na\n0.125000 0.625000 0.397700 Na\n0.125000 0.125000 0.897700 Na\n0.147700 0.875000 0.375000 Na\n0.147700 0.375000 0.875000 Na\n0.647700 0.875000 0.875000 Na\n0.647700 0.375000 0.375000 Na\n0.102300 0.375000 0.375000 Na\n0.102300 0.875000 0.875000 Na\n0.602300 0.375000 0.875000 Na\n0.602300 0.875000 0.375000 Na\n0.625000 0.852300 0.125000 Na\n0.625000 0.352300 0.625000 Na\n0.125000 0.852300 0.625000 Na\n0.125000 0.352300 0.125000 Na\n0.625000 0.897700 0.625000 Na\n0.625000 0.397700 0.125000 Na\n0.125000 0.897700 0.125000 Na\n0.125000 0.397700 0.625000 Na\n0.875000 0.375000 0.147700 Na\n0.875000 0.875000 0.647700 Na\n0.375000 0.375000 0.647700 Na\n0.375000 0.875000 0.147700 Na\n0.375000 0.375000 0.102300 Na\n0.375000 0.875000 0.602300 Na\n0.875000 0.375000 0.602300 Na\n0.875000 0.875000 0.102300 Na\n0.852300 0.125000 0.625000 Na\n0.852300 0.625000 0.125000 Na\n0.352300 0.125000 0.125000 Na\n0.352300 0.625000 0.625000 Na\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.750000 0.750000 0.500000 Mg\n0.750000 0.250000 0.000000 Mg\n0.250000 0.750000 0.000000 Mg\n0.250000 0.250000 0.500000 Mg\n0.750000 0.500000 0.750000 Mg\n0.750000 0.000000 0.250000 Mg\n0.250000 0.500000 0.250000 Mg\n0.250000 0.000000 0.750000 Mg\n0.500000 0.750000 0.750000 Mg\n0.500000 0.250000 0.250000 Mg\n0.000000 0.750000 0.250000 Mg\n0.000000 0.250000 0.750000 Mg\n0.283090 0.283090 0.283090 C\n0.283090 0.783090 0.783090 C\n0.783090 0.283090 0.783090 C\n0.783090 0.783090 0.283090 C\n0.533090 0.533090 0.716910 C\n0.533090 0.033090 0.216910 C\n0.033090 0.533090 0.216910 C\n0.033090 0.033090 0.716910 C\n0.533090 0.716910 0.533090 C\n0.533090 0.216910 0.033090 C\n0.033090 0.716910 0.033090 C\n0.033090 0.216910 0.533090 C\n0.716910 0.533090 0.533090 C\n0.716910 0.033090 0.033090 C\n0.216910 0.533090 0.033090 C\n0.216910 0.033090 0.533090 C\n0.716910 0.716910 0.716910 C\n0.716910 0.216910 0.216910 C\n0.216910 0.716910 0.216910 C\n0.216910 0.216910 0.716910 C\n0.283090 0.466910 0.466910 C\n0.283090 0.966910 0.966910 C\n0.783090 0.466910 0.966910 C\n0.783090 0.966910 0.466910 C\n0.466910 0.466910 0.283090 C\n0.466910 0.966910 0.783090 C\n0.966910 0.466910 0.783090 C\n0.966910 0.966910 0.283090 C\n0.466910 0.283090 0.466910 C\n0.466910 0.783090 0.966910 C\n0.966910 0.283090 0.966910 C\n0.966910 0.783090 0.466910 C\n0.000000 0.000000 0.000000 Cl\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n0.250000 0.250000 0.000000 Cl\n0.250000 0.750000 0.500000 Cl\n0.750000 0.250000 0.500000 Cl\n0.750000 0.750000 0.000000 Cl\n0.250000 0.000000 0.250000 Cl\n0.250000 0.500000 0.750000 Cl\n0.750000 0.000000 0.750000 Cl\n0.750000 0.500000 0.250000 Cl\n0.000000 0.250000 0.250000 Cl\n0.000000 0.750000 0.750000 Cl\n0.500000 0.250000 0.750000 Cl\n0.500000 0.750000 0.250000 Cl\n0.262700 0.230110 0.354580 O\n0.262700 0.730110 0.854580 O\n0.762700 0.230110 0.854580 O\n0.762700 0.730110 0.354580 O\n0.604580 0.512700 0.769890 O\n0.604580 0.012700 0.269890 O\n0.104580 0.512700 0.269890 O\n0.104580 0.012700 0.769890 O\n0.604580 0.737300 0.480110 O\n0.604580 0.237300 0.980110 O\n0.104580 0.737300 0.980110 O\n0.104580 0.237300 0.480110 O\n0.645420 0.512700 0.480110 O\n0.645420 0.012700 0.980110 O\n0.145420 0.512700 0.980110 O\n0.145420 0.012700 0.480110 O\n0.645420 0.737300 0.769890 O\n0.645420 0.237300 0.269890 O\n0.145420 0.737300 0.269890 O\n0.145420 0.237300 0.769890 O\n0.230110 0.395420 0.487300 O\n0.230110 0.895420 0.987300 O\n0.730110 0.395420 0.987300 O\n0.730110 0.895420 0.487300 O\n0.519890 0.395420 0.262700 O\n0.519890 0.895420 0.762700 O\n0.019890 0.395420 0.762700 O\n0.019890 0.895420 0.262700 O\n0.519890 0.354580 0.487300 O\n0.519890 0.854580 0.987300 O\n0.019890 0.354580 0.987300 O\n0.019890 0.854580 0.487300 O\n0.230110 0.354580 0.262700 O\n0.230110 0.854580 0.762700 O\n0.730110 0.354580 0.762700 O\n0.730110 0.854580 0.262700 O\n0.512700 0.769890 0.604580 O\n0.512700 0.269890 0.104580 O\n0.012700 0.769890 0.104580 O\n0.012700 0.269890 0.604580 O\n0.737300 0.480110 0.604580 O\n0.737300 0.980110 0.104580 O\n0.237300 0.480110 0.104580 O\n0.237300 0.980110 0.604580 O\n0.512700 0.480110 0.645420 O\n0.512700 0.980110 0.145420 O\n0.012700 0.480110 0.145420 O\n0.012700 0.980110 0.645420 O\n0.737300 0.769890 0.645420 O\n0.737300 0.269890 0.145420 O\n0.237300 0.769890 0.145420 O\n0.237300 0.269890 0.645420 O\n0.395420 0.487300 0.230110 O\n0.395420 0.987300 0.730110 O\n0.895420 0.487300 0.730110 O\n0.895420 0.987300 0.230110 O\n0.395420 0.262700 0.519890 O\n0.395420 0.762700 0.019890 O\n0.895420 0.262700 0.019890 O\n0.895420 0.762700 0.519890 O\n0.354580 0.487300 0.519890 O\n0.354580 0.987300 0.019890 O\n0.854580 0.487300 0.019890 O\n0.854580 0.987300 0.519890 O\n0.354580 0.262700 0.230110 O\n0.354580 0.762700 0.730110 O\n0.854580 0.262700 0.730110 O\n0.854580 0.762700 0.230110 O\n0.769890 0.604580 0.512700 O\n0.769890 0.104580 0.012700 O\n0.269890 0.604580 0.012700 O\n0.269890 0.104580 0.512700 O\n0.480110 0.604580 0.737300 O\n0.480110 0.104580 0.237300 O\n0.980110 0.604580 0.237300 O\n0.980110 0.104580 0.737300 O\n0.480110 0.645420 0.512700 O\n0.480110 0.145420 0.012700 O\n0.980110 0.645420 0.012700 O\n0.980110 0.145420 0.512700 O\n0.769890 0.645420 0.737300 O\n0.769890 0.145420 0.237300 O\n0.269890 0.645420 0.237300 O\n0.269890 0.145420 0.737300 O\n0.487300 0.230110 0.395420 O\n0.487300 0.730110 0.895420 O\n0.987300 0.230110 0.895420 O\n0.987300 0.730110 0.395420 O\n0.262700 0.519890 0.395420 O\n0.262700 0.019890 0.895420 O\n0.762700 0.519890 0.895420 O\n0.762700 0.019890 0.395420 O\n0.487300 0.519890 0.354580 O\n0.487300 0.019890 0.854580 O\n0.987300 0.519890 0.854580 O\n0.987300 0.019890 0.354580 O\n" }, { "path": "pyxtal/database/cifs/Fd3m.cif", "content": "data_global\r\n_chemical_name_mineral 'Ahrensite'\r\nloop_\r\n_publ_author_name\r\n'Finger L W'\r\n'Hazen R M'\r\n'Yagi T'\r\n_journal_name_full 'American Mineralogist'\r\n_journal_volume 64 \r\n_journal_year 1979\r\n_journal_page_first 1002\r\n_journal_page_last 1009\r\n_publ_section_title\r\n;\r\n Crystal structures and electron densities of nickel and iron silicate spinels at\r\n elevated temperature or pressure\r\n;\r\n_database_code_amcsd 0000748\r\n_chemical_compound_source 'Synthetic'\r\n_chemical_formula_sum 'Fe2 Si O4'\r\n_chemical_formula_sum ''\r\n_cell_length_a 8.236\r\n_cell_length_b 8.236\r\n_cell_length_c 8.236\r\n_cell_angle_alpha 90\r\n_cell_angle_beta 90\r\n_cell_angle_gamma 90\r\n_cell_volume 558.662\r\n_exptl_crystal_density_diffrn 4.846\r\n_symmetry_space_group_name_H-M 'F d 3 m'\r\nloop_\r\n_space_group_symop_operation_xyz\r\n 'x,y,z'\r\n 'x,1/2+y,1/2+z'\r\n '1/2+x,y,1/2+z'\r\n '1/2+x,1/2+y,z'\r\n '3/4+z,1/2-x,1/4+y'\r\n '3/4+z,-x,3/4+y'\r\n '1/4+z,1/2-x,3/4+y'\r\n '1/4+z,-x,1/4+y'\r\n '3/4-y,1/2+z,1/4-x'\r\n '3/4-y,+z,3/4-x'\r\n '1/4-y,1/2+z,3/4-x'\r\n '1/4-y,+z,1/4-x'\r\n '3/4+x,1/2-y,1/4+z'\r\n '3/4+x,-y,3/4+z'\r\n '1/4+x,1/2-y,3/4+z'\r\n '1/4+x,-y,1/4+z'\r\n '3/4-z,1/2+x,1/4-y'\r\n '3/4-z,+x,3/4-y'\r\n '1/4-z,1/2+x,3/4-y'\r\n '1/4-z,+x,1/4-y'\r\n '3/4+y,1/2-z,1/4+x'\r\n '3/4+y,-z,3/4+x'\r\n '1/4+y,1/2-z,3/4+x'\r\n '1/4+y,-z,1/4+x'\r\n '3/4-x,1/2+y,1/4-z'\r\n '3/4-x,+y,3/4-z'\r\n '1/4-x,1/2+y,3/4-z'\r\n '1/4-x,+y,1/4-z'\r\n '1/2+x,3/4-z,1/4-y'\r\n '1/2+x,1/4-z,3/4-y'\r\n '+x,3/4-z,3/4-y'\r\n '+x,1/4-z,1/4-y'\r\n '1/2-z,3/4+y,1/4+x'\r\n '1/2-z,1/4+y,3/4+x'\r\n '-z,3/4+y,3/4+x'\r\n '-z,1/4+y,1/4+x'\r\n '1/2+y,3/4-x,1/4-z'\r\n '1/2+y,1/4-x,3/4-z'\r\n '+y,3/4-x,3/4-z'\r\n '+y,1/4-x,1/4-z'\r\n '1/2-x,3/4+z,1/4+y'\r\n '1/2-x,1/4+z,3/4+y'\r\n '-x,3/4+z,3/4+y'\r\n '-x,1/4+z,1/4+y'\r\n '1/2+z,3/4-y,1/4-x'\r\n '1/2+z,1/4-y,3/4-x'\r\n '+z,3/4-y,3/4-x'\r\n '+z,1/4-y,1/4-x'\r\n '1/2-y,3/4+x,1/4+z'\r\n '1/2-y,1/4+x,3/4+z'\r\n '-y,3/4+x,3/4+z'\r\n '-y,1/4+x,1/4+z'\r\n 'x,1/2+z,1/2+y'\r\n 'x,+z,+y'\r\n '1/2+x,1/2+z,+y'\r\n '1/2+x,+z,1/2+y'\r\n '-z,1/2-y,1/2-x'\r\n '-z,-y,-x'\r\n '1/2-z,1/2-y,-x'\r\n '1/2-z,-y,1/2-x'\r\n 'y,1/2+x,1/2+z'\r\n 'y,+x,+z'\r\n '1/2+y,1/2+x,+z'\r\n '1/2+y,+x,1/2+z'\r\n '-x,1/2-z,1/2-y'\r\n '-x,-z,-y'\r\n '1/2-x,1/2-z,-y'\r\n '1/2-x,-z,1/2-y'\r\n 'z,1/2+y,1/2+x'\r\n 'z,+y,+x'\r\n '1/2+z,1/2+y,+x'\r\n '1/2+z,+y,1/2+x'\r\n '-y,1/2-x,1/2-z'\r\n '-y,-x,-z'\r\n '1/2-y,1/2-x,-z'\r\n '1/2-y,-x,1/2-z'\r\n '3/4+z,1/4+x,1/2-y'\r\n '3/4+z,3/4+x,-y'\r\n '1/4+z,1/4+x,-y'\r\n '1/4+z,3/4+x,1/2-y'\r\n '3/4-y,1/4-z,1/2+x'\r\n '3/4-y,3/4-z,+x'\r\n '1/4-y,1/4-z,+x'\r\n '1/4-y,3/4-z,1/2+x'\r\n '3/4+x,1/4+y,1/2-z'\r\n '3/4+x,3/4+y,-z'\r\n '1/4+x,1/4+y,-z'\r\n '1/4+x,3/4+y,1/2-z'\r\n '3/4-z,1/4-x,1/2+y'\r\n '3/4-z,3/4-x,+y'\r\n '1/4-z,1/4-x,+y'\r\n '1/4-z,3/4-x,1/2+y'\r\n '3/4+y,1/4+z,1/2-x'\r\n '3/4+y,3/4+z,-x'\r\n '1/4+y,1/4+z,-x'\r\n '1/4+y,3/4+z,1/2-x'\r\n '3/4-x,1/4-y,1/2+z'\r\n '3/4-x,3/4-y,+z'\r\n '1/4-x,1/4-y,+z'\r\n '1/4-x,3/4-y,1/2+z'\r\n '-z,3/4+x,3/4+y'\r\n '-z,1/4+x,1/4+y'\r\n '1/2-z,3/4+x,1/4+y'\r\n '1/2-z,1/4+x,3/4+y'\r\n 'y,3/4-z,3/4-x'\r\n 'y,1/4-z,1/4-x'\r\n '1/2+y,3/4-z,1/4-x'\r\n '1/2+y,1/4-z,3/4-x'\r\n '-x,3/4+y,3/4+z'\r\n '-x,1/4+y,1/4+z'\r\n '1/2-x,3/4+y,1/4+z'\r\n '1/2-x,1/4+y,3/4+z'\r\n 'z,3/4-x,3/4-y'\r\n 'z,1/4-x,1/4-y'\r\n '1/2+z,3/4-x,1/4-y'\r\n '1/2+z,1/4-x,3/4-y'\r\n '-y,3/4+z,3/4+x'\r\n '-y,1/4+z,1/4+x'\r\n '1/2-y,3/4+z,1/4+x'\r\n '1/2-y,1/4+z,3/4+x'\r\n 'x,3/4-y,3/4-z'\r\n 'x,1/4-y,1/4-z'\r\n '1/2+x,3/4-y,1/4-z'\r\n '1/2+x,1/4-y,3/4-z'\r\n '1/4-x,1/2+z,3/4-y'\r\n '1/4-x,+z,1/4-y'\r\n '3/4-x,1/2+z,1/4-y'\r\n '3/4-x,+z,3/4-y'\r\n '1/4+z,1/2-y,3/4+x'\r\n '1/4+z,-y,1/4+x'\r\n '3/4+z,1/2-y,1/4+x'\r\n '3/4+z,-y,3/4+x'\r\n '1/4-y,1/2+x,3/4-z'\r\n '1/4-y,+x,1/4-z'\r\n '3/4-y,1/2+x,1/4-z'\r\n '3/4-y,+x,3/4-z'\r\n '1/4+x,1/2-z,3/4+y'\r\n '1/4+x,-z,1/4+y'\r\n '3/4+x,1/2-z,1/4+y'\r\n '3/4+x,-z,3/4+y'\r\n '1/4-z,1/2+y,3/4-x'\r\n '1/4-z,+y,1/4-x'\r\n '3/4-z,1/2+y,1/4-x'\r\n '3/4-z,+y,3/4-x'\r\n '1/4+y,1/2-x,3/4+z'\r\n '1/4+y,-x,1/4+z'\r\n '3/4+y,1/2-x,1/4+z'\r\n '3/4+y,-x,3/4+z'\r\n '3/4-x,3/4-z,y'\r\n '3/4-x,1/4-z,1/2+y'\r\n '1/4-x,3/4-z,1/2+y'\r\n '1/4-x,1/4-z,y'\r\n '3/4+z,3/4+y,-x'\r\n '3/4+z,1/4+y,1/2-x'\r\n '1/4+z,3/4+y,1/2-x'\r\n '1/4+z,1/4+y,-x'\r\n '3/4-y,3/4-x,z'\r\n '3/4-y,1/4-x,1/2+z'\r\n '1/4-y,3/4-x,1/2+z'\r\n '1/4-y,1/4-x,z'\r\n '3/4+x,3/4+z,-y'\r\n '3/4+x,1/4+z,1/2-y'\r\n '1/4+x,3/4+z,1/2-y'\r\n '1/4+x,1/4+z,-y'\r\n '3/4-z,3/4-y,x'\r\n '3/4-z,1/4-y,1/2+x'\r\n '1/4-z,3/4-y,1/2+x'\r\n '1/4-z,1/4-y,x'\r\n '3/4+y,3/4+x,-z'\r\n '3/4+y,1/4+x,1/2-z'\r\n '1/4+y,3/4+x,1/2-z'\r\n '1/4+y,1/4+x,-z'\r\n '-z,-x,-y'\r\n '-z,1/2-x,1/2-y'\r\n '1/2-z,-x,1/2-y'\r\n '1/2-z,1/2-x,-y'\r\n 'y,z,x'\r\n 'y,1/2+z,1/2+x'\r\n '1/2+y,z,1/2+x'\r\n '1/2+y,1/2+z,x'\r\n '-x,-y,-z'\r\n '-x,1/2-y,1/2-z'\r\n '1/2-x,-y,1/2-z'\r\n '1/2-x,1/2-y,-z'\r\n 'z,x,y'\r\n 'z,1/2+x,1/2+y'\r\n '1/2+z,x,1/2+y'\r\n '1/2+z,1/2+x,y'\r\n '-y,-z,-x'\r\n '-y,1/2-z,1/2-x'\r\n '1/2-y,-z,1/2-x'\r\n '1/2-y,1/2-z,-x'\r\nloop_\r\n_atom_site_label\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_U_iso_or_equiv\r\nFe 0.50000 0.50000 0.50000 0.00507\r\nSi 0.12500 0.12500 0.12500 0.00342\r\nO 0.24090 0.24090 0.24090 0.00519\r\n" }, { "path": "pyxtal/database/cifs/GUMMUW.cif", "content": "####################################################################### \r\n# \r\n# This file contains crystal structure data downloaded from the \r\n# Cambridge Structural Database (CSD) hosted by the Cambridge \r\n# Crystallographic Data Centre (CCDC).\r\n# \r\n# Full information about CCDC data access policies and citation \r\n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \r\n# \r\n# Audit and citation data items may have been added by the CCDC. \r\n# Please retain this information to preserve the provenance of \r\n# this file and to allow appropriate attribution of the data. \r\n# \r\n#######################################################################\r\n\r\ndata_new\r\n_audit_block_doi 10.5517/cc4y9dr\r\n_database_code_depnum_ccdc_archive 'CCDC 147324'\r\nloop_\r\n_citation_id\r\n_citation_doi\r\n_citation_year\r\n1 10.1039/b100020i 2001\r\n2 10.1002/1521-3765(20020415)8:8<1804::AID-CHEM1804>3.0.CO;2-C 2002\r\n_audit_update_record \r\n;\r\n2000-07-18 deposited with the CCDC.\t2021-07-02 downloaded from the CCDC.\r\n;\r\n\r\n_audit_creation_method SHELXL-97\r\n_chemical_name_systematic \r\n; \r\n? \r\n;\r\n_chemical_name_common 'Croconic acid'\r\n_chemical_melting_point ?\r\n_chemical_formula_moiety ?\r\n_chemical_formula_sum 'C5 H2 O5'\r\n_chemical_formula_weight 142.07\r\n\r\nloop_\r\n_atom_type_symbol\r\n_atom_type_description\r\n_atom_type_scat_dispersion_real\r\n_atom_type_scat_dispersion_imag\r\n_atom_type_scat_source\r\nC C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nH H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nO O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\n\r\n_symmetry_cell_setting Orthorhombic\r\n_symmetry_space_group_name_H-M Pca21\r\n\r\nloop_\r\n_symmetry_equiv_pos_as_xyz\r\n'x, y, z'\r\n'-x+1/2, y, z+1/2'\r\n'x+1/2, -y, z'\r\n'-x, -y, z+1/2'\r\n\r\n_cell_length_a 8.7108(8)\r\n_cell_length_b 5.1683(5)\r\n_cell_length_c 10.9562(9)\r\n_cell_angle_alpha 90.00\r\n_cell_angle_beta 90.00\r\n_cell_angle_gamma 90.00\r\n_cell_volume 493.25(8)\r\n_cell_formula_units_Z 4\r\n_cell_measurement_temperature 293(2)\r\n_cell_measurement_reflns_used ?\r\n_cell_measurement_theta_min ?\r\n_cell_measurement_theta_max ?\r\n\r\n_exptl_crystal_description 'hexagonal prism'\r\n_exptl_crystal_colour yellow\r\n_exptl_crystal_size_max 0.17\r\n_exptl_crystal_size_mid 0.15\r\n_exptl_crystal_size_min 0.08\r\n_exptl_crystal_density_meas ?\r\n_exptl_crystal_density_diffrn 1.913\r\n_exptl_crystal_density_method 'not measured'\r\n_exptl_crystal_F_000 288\r\n_exptl_absorpt_coefficient_mu 0.179\r\n_exptl_absorpt_correction_type ?\r\n_exptl_absorpt_correction_T_min 0.9736\r\n_exptl_absorpt_correction_T_max 0.9823\r\n_exptl_absorpt_process_details ?\r\n\r\n_exptl_special_details \r\n; \r\n? \r\n;\r\n\r\n_diffrn_ambient_temperature 293(2)\r\n_diffrn_radiation_wavelength 0.71073\r\n_diffrn_radiation_type MoK\\a\r\n_diffrn_radiation_source 'fine-focus sealed tube'\r\n_diffrn_radiation_monochromator graphite\r\n_diffrn_measurement_device_type ?\r\n_diffrn_measurement_method ?\r\n_diffrn_detector_area_resol_mean ?\r\n_diffrn_standards_number ?\r\n_diffrn_standards_interval_count ?\r\n_diffrn_standards_interval_time ?\r\n_diffrn_standards_decay_% ?\r\n_diffrn_reflns_number 6525\r\n_diffrn_reflns_av_R_equivalents 0.1141\r\n_diffrn_reflns_av_sigmaI/netI 0.1166\r\n_diffrn_reflns_limit_h_min -12\r\n_diffrn_reflns_limit_h_max 13\r\n_diffrn_reflns_limit_k_min -7\r\n_diffrn_reflns_limit_k_max 8\r\n_diffrn_reflns_limit_l_min -15\r\n_diffrn_reflns_limit_l_max 17\r\n_diffrn_reflns_theta_min 3.72\r\n_diffrn_reflns_theta_max 33.88\r\n_reflns_number_total 1838\r\n_reflns_number_gt 1017\r\n_reflns_threshold_expression >2sigma(I)\r\n\r\n_computing_data_collection ?\r\n_computing_cell_refinement ?\r\n_computing_data_reduction ?\r\n_computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)'\r\n_computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)'\r\n_computing_molecular_graphics ?\r\n_computing_publication_material ?\r\n\r\n_refine_special_details \r\n; \r\nRefinement of F^2^ against ALL reflections. The weighted R-factor wR and \r\ngoodness of fit S are based on F^2^, conventional R-factors R are based \r\non F, with F set to zero for negative F^2^. The threshold expression of \r\nF^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is \r\nnot relevant to the choice of reflections for refinement. R-factors based \r\non F^2^ are statistically about twice as large as those based on F, and R- \r\nfactors based on ALL data will be even larger. \r\n;\r\n\r\n_refine_ls_structure_factor_coef Fsqd\r\n_refine_ls_matrix_type full\r\n_refine_ls_weighting_scheme calc\r\n_refine_ls_weighting_details \r\n'calc w==1/[\\s^2^(Fo^2^)+(0.0456P)^2^+0.0000P] where P==(Fo^2^+2Fc^2^)/3'\r\n_atom_sites_solution_primary direct\r\n_atom_sites_solution_secondary difmap\r\n_atom_sites_solution_hydrogens geom\r\n_refine_ls_hydrogen_treatment mixed\r\n_refine_ls_extinction_method none\r\n_refine_ls_extinction_coef ?\r\n_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'\r\n_refine_ls_abs_structure_Flack 3(3)\r\n_refine_ls_number_reflns 1838\r\n_refine_ls_number_parameters 91\r\n_refine_ls_number_restraints 1\r\n_refine_ls_R_factor_all 0.1114\r\n_refine_ls_R_factor_gt 0.0549\r\n_refine_ls_wR_factor_ref 0.1240\r\n_refine_ls_wR_factor_gt 0.1076\r\n_refine_ls_goodness_of_fit_ref 0.864\r\n_refine_ls_restrained_S_all 0.864\r\n_refine_ls_shift/su_max 0.020\r\n_refine_ls_shift/su_mean 0.002\r\n\r\nloop_\r\n_atom_site_label\r\n_atom_site_type_symbol\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_U_iso_or_equiv\r\n_atom_site_adp_type\r\n_atom_site_occupancy\r\n_atom_site_symmetry_multiplicity\r\n_atom_site_calc_flag\r\n_atom_site_refinement_flags\r\n_atom_site_disorder_assembly\r\n_atom_site_disorder_group\r\nO1 O 0.47159(18) 1.0892(3) -0.1926(4) 0.0321(4) Uani 1 1 d . . .\r\nO2 O 0.5740(3) 0.7892(7) 0.0256(2) 0.0287(7) Uani 1 1 d . . .\r\nO3 O 0.7505(3) 0.3514(6) -0.0598(3) 0.0281(7) Uani 1 1 d . . .\r\nO4 O 0.7643(3) 0.3611(6) -0.3212(2) 0.0305(7) Uani 1 1 d . . .\r\nO5 O 0.5887(3) 0.8043(8) -0.4110(2) 0.0324(8) Uani 1 1 d . . .\r\nC1 C 0.5469(2) 0.8937(4) -0.1934(5) 0.0225(4) Uani 1 1 d . . .\r\nC2 C 0.6005(4) 0.7420(9) -0.0886(3) 0.0228(10) Uani 1 1 d . . .\r\nC3 C 0.6857(4) 0.5308(8) -0.1261(3) 0.0222(9) Uani 1 1 d . . .\r\nC4 C 0.6968(4) 0.5211(9) -0.2573(4) 0.0215(8) Uani 1 1 d . . .\r\nC5 C 0.6080(4) 0.7509(8) -0.3043(4) 0.0213(9) Uani 1 1 d . . .\r\nH2 H 0.5274 0.9452 0.0472 0.050 Uiso 1 1 d . . .\r\nH3 H 0.7499 0.4053 0.0280 0.050 Uiso 1 1 d . . .\r\n\r\nloop_\r\n_atom_site_aniso_label\r\n_atom_site_aniso_U_11\r\n_atom_site_aniso_U_22\r\n_atom_site_aniso_U_33\r\n_atom_site_aniso_U_23\r\n_atom_site_aniso_U_13\r\n_atom_site_aniso_U_12\r\nO1 0.0335(9) 0.0303(8) 0.0325(8) 0.002(2) 0.0054(19) 0.0088(7)\r\nO2 0.0348(14) 0.0362(19) 0.0150(14) -0.0028(13) 0.0019(9) 0.0088(12)\r\nO3 0.0331(15) 0.0325(16) 0.0189(16) -0.0042(14) -0.0029(10) 0.0092(14)\r\nO4 0.0402(16) 0.0388(17) 0.0126(15) -0.0043(13) 0.0045(11) 0.0132(14)\r\nO5 0.0358(16) 0.040(2) 0.0210(16) 0.0093(14) 0.0010(10) 0.0108(13)\r\nC1 0.0223(10) 0.0258(10) 0.0194(9) -0.003(2) 0.001(2) 0.0006(8)\r\nC2 0.0201(15) 0.032(3) 0.016(2) -0.0092(16) 0.0021(13) -0.0034(15)\r\nC3 0.0222(18) 0.031(2) 0.0132(19) 0.0042(16) -0.0017(13) -0.0005(16)\r\nC4 0.0220(15) 0.025(2) 0.0177(19) 0.0025(15) -0.0026(15) 0.0038(15)\r\nC5 0.0193(14) 0.025(2) 0.0196(19) -0.0054(16) 0.0021(13) 0.0043(13)\r\n\r\n_geom_special_details \r\n; \r\nAll esds (except the esd in the dihedral angle between two l.s. planes) \r\nare estimated using the full covariance matrix. The cell esds are taken \r\ninto account individually in the estimation of esds in distances, angles \r\nand torsion angles; correlations between esds in cell parameters are only \r\nused when they are defined by crystal symmetry. An approximate (isotropic) \r\ntreatment of cell esds is used for estimating esds involving l.s. planes. \r\n;\r\n\r\nloop_\r\n_geom_bond_atom_site_label_1\r\n_geom_bond_atom_site_label_2\r\n_geom_bond_distance\r\n_geom_bond_site_symmetry_2\r\n_geom_bond_publ_flag\r\nO1 C1 1.205(2) . ?\r\nO2 C2 1.296(4) . ?\r\nO2 H2 0.9332 . ?\r\nO3 C3 1.306(5) . ?\r\nO3 H3 1.0015 . ?\r\nO4 C4 1.233(5) . ?\r\nO5 C5 1.213(4) . ?\r\nC1 C2 1.466(6) . ?\r\nC1 C5 1.518(6) . ?\r\nC2 C3 1.382(5) . ?\r\nC3 C4 1.442(3) . ?\r\nC4 C5 1.508(6) . ?\r\n\r\nloop_\r\n_geom_angle_atom_site_label_1\r\n_geom_angle_atom_site_label_2\r\n_geom_angle_atom_site_label_3\r\n_geom_angle\r\n_geom_angle_site_symmetry_1\r\n_geom_angle_site_symmetry_3\r\n_geom_angle_publ_flag\r\nC2 O2 H2 119.0 . . ?\r\nC3 O3 H3 109.5 . . ?\r\nO1 C1 C2 128.0(5) . . ?\r\nO1 C1 C5 127.2(5) . . ?\r\nC2 C1 C5 104.79(17) . . ?\r\nO2 C2 C3 122.1(4) . . ?\r\nO2 C2 C1 126.8(4) . . ?\r\nC3 C2 C1 111.2(3) . . ?\r\nO3 C3 C2 128.9(4) . . ?\r\nO3 C3 C4 120.0(4) . . ?\r\nC2 C3 C4 111.0(4) . . ?\r\nO4 C4 C3 128.5(5) . . ?\r\nO4 C4 C5 125.3(4) . . ?\r\nC3 C4 C5 106.2(4) . . ?\r\nO5 C5 C4 125.4(4) . . ?\r\nO5 C5 C1 127.8(4) . . ?\r\nC4 C5 C1 106.8(4) . . ?\r\n\r\n_diffrn_measured_fraction_theta_max 0.959\r\n_diffrn_reflns_theta_full 33.88\r\n_diffrn_measured_fraction_theta_full 0.959\r\n_refine_diff_density_max 0.334\r\n_refine_diff_density_min -0.322\r\n_refine_diff_density_rms 0.081\r\n" }, { "path": "pyxtal/database/cifs/GeF2.cif", "content": "# generated using pymatgen\ndata_GeF2\n_symmetry_space_group_name_H-M P2_12_12_1\n_cell_length_a 4.97134300\n_cell_length_b 5.23964400\n_cell_length_c 8.24597100\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 19\n_chemical_formula_structural GeF2\n_chemical_formula_sum 'Ge4 F8'\n_cell_volume 214.79160939\n_cell_formula_units_Z 4\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\n 2 '-x+1/2, -y, z+1/2'\n 3 'x+1/2, -y+1/2, -z'\n 4 '-x, y+1/2, -z+1/2'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ge Ge0 4 0.22608000 0.02532300 0.12401500 1\n F F1 4 0.03444500 0.62701000 0.53073100 1\n F F2 4 0.09464500 0.25380100 0.28527400 1\n" }, { "path": "pyxtal/database/cifs/HAHCOI.cif", "content": "\r\n#######################################################################\r\n#\r\n# Cambridge Crystallographic Data Centre\r\n# CCDC\r\n#\r\n#######################################################################\r\n#\r\n# If this CIF has been generated from an entry in the Cambridge\r\n# Structural Database, then it will include bibliographic, chemical,\r\n# crystal, experimental, refinement or atomic coordinate data resulting\r\n# from the CCDC's data processing and validation procedures.\r\n#\r\n#######################################################################\r\n\r\ndata_CSD_CIF_HAHCOI\r\n_audit_creation_date 1994-03-15\r\n_audit_creation_method CSD-ConQuest-V1\r\n_database_code_CSD HAHCOI\r\n_database_code_depnum_ccdc_archive 'CCDC 1171543'\r\n_chemical_formula_sum 'C12 H6 S2'\r\n_chemical_formula_moiety\r\n;\r\nC12 H6 S2\r\n;\r\n_journal_coden_Cambridge 241\r\n_journal_year 1993\r\n_journal_page_first 365\r\n_journal_name_full 'Chem.Lett. '\r\nloop_\r\n_publ_author_name\r\n\"K.Takimiya\"\r\n\"F.Yashiki\"\r\n\"Y.Aso\"\r\n\"T.Otsubo\"\r\n\"F.Ogura\"\r\n_chemical_name_systematic\r\n;\r\nNaphtho(1,8-bc:4,5-b'c')dithiophene\r\n;\r\n_chemical_melting_point 460.15\r\n_cell_volume 453.272\r\n_exptl_crystal_colour 'orange'\r\n_exptl_crystal_density_diffrn 1.571\r\n_exptl_special_details\r\n;\r\nMelts with decomposition.\r\n\r\n;\r\n_exptl_crystal_description 'needle'\r\n_exptl_crystal_preparation 'chloroform/hexane'\r\n_diffrn_ambient_temperature ?\r\n_diffrn_special_details\r\n;\r\nThe study was carried out at room temperature,in the range 283-303K\r\n\r\n;\r\n#These two values have been output from a single CSD field.\r\n_refine_ls_R_factor_gt 0.042\r\n_refine_ls_wR_factor_gt 0.042\r\n_symmetry_cell_setting monoclinic\r\n_symmetry_space_group_name_H-M 'P 21'\r\n_symmetry_Int_Tables_number 4\r\nloop_\r\n_symmetry_equiv_pos_site_id\r\n_symmetry_equiv_pos_as_xyz\r\n1 x,y,z\r\n2 -x,1/2+y,-z\r\n_cell_length_a 7.837(1)\r\n_cell_length_b 4.128\r\n_cell_length_c 14.035(4)\r\n_cell_angle_alpha 90\r\n_cell_angle_beta 93.35(6)\r\n_cell_angle_gamma 90\r\n_cell_formula_units_Z 2\r\nloop_\r\n_atom_type_symbol\r\n_atom_type_radius_bond\r\nC 0.68\r\nH 0.23\r\nS 1.02\r\nloop_\r\n_atom_site_label\r\n_atom_site_type_symbol\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\nS1 S 0.66465(11) 0.58211 0.94070(2)\r\nC1 C 0.80971(47) 0.3893(12) 0.87202(25)\r\nC2 C 0.98442(49) 0.3110(14) 0.88645(28)\r\nC3 C 1.06631(50) 0.1400(14) 0.81872(28)\r\nC4 C 0.97754(46) 0.0477(13) 0.73275(25)\r\nS2 S 1.03698(13) -0.16588(44) 0.63204(7)\r\nC5 C 0.83589(52) -0.1341(17) 0.57602(26)\r\nC6 C 0.72107(50) 0.0292(13) 0.6313(1)\r\nC7 C 0.54110(53) 0.1138(16) 0.61855(28)\r\nC8 C 0.46019(52) 0.2818(13) 0.68467(29)\r\nC9 C 0.54744(43) 0.3822(13) 0.77512(25)\r\nC10 C 0.49757(47) 0.5459(15) 0.85512(29)\r\nC11 C 0.72390(44) 0.2979(13) 0.78703(25)\r\nC12 C 0.80575(46) 0.1256(13) 0.71884(25)\r\nH1 H 1.03710 0.38557 0.93674\r\nH2 H 1.17610 0.09162 0.82903\r\nH3 H 0.81570 -0.23800 0.52034\r\nH4 H 0.49091 0.04585 0.56568\r\nH5 H 0.35434 0.32937 0.66847\r\nH6 H 0.42053 0.59755 0.86131\r\n#END\r\n" }, { "path": "pyxtal/database/cifs/I41amd.vasp", "content": "Sn4\n1.0\n5.819700 0.000000 0.000000\n0.000000 5.819700 0.000000\n0.000000 0.000000 3.174880\nSn\n4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.250000 Sn\n0.500000 0.000000 0.750000 Sn\n" }, { "path": "pyxtal/database/cifs/I4_132.cif", "content": "data_global\r\n_chemical_name_mineral 'Petzite'\r\nloop_\r\n_publ_author_name\r\n'Frueh A J'\r\n_journal_name_full 'American Mineralogist'\r\n_journal_volume 44 \r\n_journal_year 1959\r\n_journal_page_first 693\r\n_journal_page_last 701\r\n_publ_section_title\r\n;\r\n The crystallography of petzite, Ag3AuTe2\r\n;\r\n_database_code_amcsd 0000087\r\n_chemical_formula_sum 'Ag3 Au Te2'\r\n_chemical_formula_sum ''\r\n_cell_length_a 10.38\r\n_cell_length_b 10.38\r\n_cell_length_c 10.38\r\n_cell_angle_alpha 90\r\n_cell_angle_beta 90\r\n_cell_angle_gamma 90\r\n_cell_volume 1118.387\r\n_exptl_crystal_density_diffrn 9.215\r\n_symmetry_space_group_name_H-M 'I 41 3 2'\r\nloop_\r\n_space_group_symop_operation_xyz\r\n 'x,y,z'\r\n '1/2+x,1/2+y,1/2+z'\r\n '-z,1/2+x,1/2-y'\r\n '1/2-z,+x,-y'\r\n '-y,1/2+z,1/2-x'\r\n '1/2-y,+z,-x'\r\n '-x,1/2+y,1/2-z'\r\n '1/2-x,+y,-z'\r\n '3/4-x,1/4+z,3/4+y'\r\n '1/4-x,3/4+z,1/4+y'\r\n '3/4-z,1/4+y,3/4+x'\r\n '1/4-z,3/4+y,1/4+x'\r\n '3/4-y,1/4+x,3/4+z'\r\n '1/4-y,3/4+x,1/4+z'\r\n '1/4-x,1/4-z,1/4-y'\r\n '3/4-x,3/4-z,3/4-y'\r\n '1/4-z,1/4-y,1/4-x'\r\n '3/4-z,3/4-y,3/4-x'\r\n '1/4-y,1/4-x,1/4-z'\r\n '3/4-y,3/4-x,3/4-z'\r\n '1/2-z,-x,1/2+y'\r\n '-z,1/2-x,+y'\r\n '1/2-y,-z,1/2+x'\r\n '-y,1/2-z,+x'\r\n '1/2-x,-y,1/2+z'\r\n '-x,1/2-y,+z'\r\n '1/2+z,1/2-x,-y'\r\n '+z,-x,1/2-y'\r\n '1/2+y,1/2-z,-x'\r\n '+y,-z,1/2-x'\r\n '1/2+x,1/2-y,-z'\r\n '+x,-y,1/2-z'\r\n '3/4+x,3/4-z,1/4+y'\r\n '1/4+x,1/4-z,3/4+y'\r\n '3/4+z,3/4-y,1/4+x'\r\n '1/4+z,1/4-y,3/4+x'\r\n '3/4+y,3/4-x,1/4+z'\r\n '1/4+y,1/4-x,3/4+z'\r\n '1/4+x,3/4+z,3/4-y'\r\n '3/4+x,1/4+z,1/4-y'\r\n '1/4+z,3/4+y,3/4-x'\r\n '3/4+z,1/4+y,1/4-x'\r\n '1/4+y,3/4+x,3/4-z'\r\n '3/4+y,1/4+x,1/4-z'\r\n 'z,x,y'\r\n '1/2+z,1/2+x,1/2+y'\r\n 'y,z,x'\r\n '1/2+y,1/2+z,1/2+x'\r\nloop_\r\n_atom_site_label\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\nAg 0.36500 0.00000 0.25000\r\nAu 0.12500 0.12500 0.12500\r\nTe 0.26600 0.26600 0.26600\r\n" }, { "path": "pyxtal/database/cifs/JAPWIH.cif", "content": "####################################################################### \r\n# \r\n# This file contains crystal structure data downloaded from the \r\n# Cambridge Structural Database (CSD) hosted by the Cambridge \r\n# Crystallographic Data Centre (CCDC).\r\n# \r\n# Full information about CCDC data access policies and citation \r\n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \r\n# \r\n# Audit and citation data items may have been added by the CCDC. \r\n# Please retain this information to preserve the provenance of \r\n# this file and to allow appropriate attribution of the data. \r\n# \r\n#######################################################################\r\n\r\ndata_final6_new_labels\r\n_audit_block_doi 10.5517/cc8jpzf\r\n_database_code_depnum_ccdc_archive 'CCDC 254385'\r\nloop_\r\n_citation_id\r\n_citation_doi\r\n_citation_year\r\n1 10.1021/jo048010w 2005\r\n_audit_update_record \r\n;\r\n2004-11-01 deposited with the CCDC.\t2020-08-10 downloaded from the CCDC.\r\n;\r\n\r\n_audit_creation_method SHELXL-97\r\n_chemical_name_systematic \r\n;\r\nThieno[2,3-f:5,4-f']bis[1]benzothiophene\r\n;\r\n_chemical_name_common Thieno(2,3-f:5,4-f')bis(1)benzothiophene\r\n_chemical_melting_point '237-238 C'\r\n_chemical_formula_moiety 'C16 H8 S3'\r\n_chemical_formula_sum 'C16 H8 S3'\r\n_chemical_formula_weight 296.40\r\n\r\nloop_\r\n_atom_type_symbol\r\n_atom_type_description\r\n_atom_type_scat_dispersion_real\r\n_atom_type_scat_dispersion_imag\r\n_atom_type_scat_source\r\nC C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nH H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nS S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\n\r\n_symmetry_cell_setting orthorhombic\r\n_symmetry_space_group_name_H-M Pmn2(1)\r\n\r\nloop_\r\n_symmetry_equiv_pos_as_xyz\r\n'x, y, z'\r\n'-x+1/2, -y, z+1/2'\r\n'x+1/2, -y, z+1/2'\r\n'-x, y, z'\r\n\r\n_cell_length_a 25.6814(5)\r\n_cell_length_b 6.0774(1)\r\n_cell_length_c 3.8911(1)\r\n_cell_angle_alpha 90.00\r\n_cell_angle_beta 90.00\r\n_cell_angle_gamma 90.00\r\n_cell_volume 607.31(2)\r\n_cell_formula_units_Z 2\r\n_cell_measurement_temperature 120(1)\r\n_cell_measurement_reflns_used 6077\r\n_cell_measurement_theta_min 3.15\r\n_cell_measurement_theta_max 35.2\r\n\r\n_exptl_crystal_description plate\r\n_exptl_crystal_colour 'pale yellow'\r\n_exptl_crystal_size_max 0.30\r\n_exptl_crystal_size_mid 0.20\r\n_exptl_crystal_size_min 0.08\r\n_exptl_crystal_density_meas ?\r\n_exptl_crystal_density_diffrn 1.621\r\n_exptl_crystal_density_method 'not measured'\r\n_exptl_crystal_F_000 304\r\n_exptl_absorpt_coefficient_mu 0.588\r\n_exptl_absorpt_correction_type multi-scan\r\n_exptl_absorpt_correction_T_min 0.79\r\n_exptl_absorpt_correction_T_max 1.00\r\n_exptl_absorpt_process_details \r\nSADABS;Sheldrick1996;Blessing,ActaC.1995,A51,33\r\n\r\n\r\n_exptl_special_details \r\n;\r\n?\r\n;\r\n\r\n_diffrn_ambient_temperature 120(1)\r\n_diffrn_radiation_wavelength 0.71073\r\n_diffrn_radiation_type MoK\\a\r\n_diffrn_radiation_source 'fine-focus sealed tube'\r\n_diffrn_radiation_monochromator graphite\r\n_diffrn_measurement_device_type 'Bruker Smart6000'\r\n_diffrn_measurement_method 'omega scans'\r\n_diffrn_detector_area_resol_mean ?\r\n_diffrn_standards_number n.a.\r\n_diffrn_standards_interval_count n.a.\r\n_diffrn_standards_interval_time n.a.\r\n_diffrn_standards_decay_% ?\r\n_diffrn_reflns_number 3308\r\n_diffrn_reflns_av_R_equivalents 0.0177\r\n_diffrn_reflns_av_sigmaI/netI 0.0259\r\n_diffrn_reflns_limit_h_min -40\r\n_diffrn_reflns_limit_h_max 39\r\n_diffrn_reflns_limit_k_min -8\r\n_diffrn_reflns_limit_k_max 8\r\n_diffrn_reflns_limit_l_min -1\r\n_diffrn_reflns_limit_l_max 6\r\n_diffrn_reflns_theta_min 3.17\r\n_diffrn_reflns_theta_max 35.17\r\n_reflns_number_total 1418\r\n_reflns_number_gt 1372\r\n_reflns_threshold_expression >2sigma(I)\r\n\r\n_computing_data_collection 'SMART V.5.630'\r\n_computing_cell_refinement 'SAINT V6.45A'\r\n_computing_data_reduction 'SAINT V6.45A'\r\n_computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)'\r\n_computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)'\r\n_computing_molecular_graphics 'Diamond 2.1e'\r\n_computing_publication_material ?\r\n\r\n_refine_special_details \r\n;\r\nRefinement of F^2^ against ALL reflections. The weighted R-factor wR and\r\ngoodness of fit S are based on F^2^, conventional R-factors R are based\r\non F, with F set to zero for negative F^2^. The threshold expression of\r\nF^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is\r\nnot relevant to the choice of reflections for refinement. R-factors based\r\non F^2^ are statistically about twice as large as those based on F, and R-\r\nfactors based on ALL data will be even larger.\r\n;\r\n\r\n_refine_ls_structure_factor_coef Fsqd\r\n_refine_ls_matrix_type full\r\n_refine_ls_weighting_scheme calc\r\n_refine_ls_weighting_details \r\n'calc w=1/[\\s^2^(Fo^2^)+(0.0341P)^2^+0.1744P] where P=(Fo^2^+2Fc^2^)/3'\r\n_atom_sites_solution_primary direct\r\n_atom_sites_solution_secondary difmap\r\n_atom_sites_solution_hydrogens difmap\r\n_refine_ls_hydrogen_treatment refall\r\n_refine_ls_extinction_method none\r\n_refine_ls_extinction_coef ?\r\n_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'\r\n_refine_ls_abs_structure_Flack 0.18(17)\r\n_refine_ls_number_reflns 1418\r\n_refine_ls_number_parameters 105\r\n_refine_ls_number_restraints 1\r\n_refine_ls_R_factor_all 0.0276\r\n_refine_ls_R_factor_gt 0.0263\r\n_refine_ls_wR_factor_ref 0.0694\r\n_refine_ls_wR_factor_gt 0.0687\r\n_refine_ls_goodness_of_fit_ref 1.102\r\n_refine_ls_restrained_S_all 1.101\r\n_refine_ls_shift/su_max 0.001\r\n_refine_ls_shift/su_mean 0.000\r\n\r\nloop_\r\n_atom_site_label\r\n_atom_site_type_symbol\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_U_iso_or_equiv\r\n_atom_site_adp_type\r\n_atom_site_occupancy\r\n_atom_site_symmetry_multiplicity\r\n_atom_site_calc_flag\r\n_atom_site_refinement_flags\r\n_atom_site_disorder_assembly\r\n_atom_site_disorder_group\r\nS(1) S 0.165156(12) 1.50690(6) -0.36925(18) 0.01495(9) Uani 1 1 d . . .\r\nS(2) S 0.0000 0.84417(8) 0.18015(16) 0.01419(11) Uani 1 2 d S . .\r\nC(1) C 0.21178(6) 1.3118(3) -0.2611(5) 0.0175(3) Uani 1 1 d . . .\r\nH(1) H 0.2473(10) 1.338(4) -0.332(9) 0.033(6) Uiso 1 1 d . . .\r\nC(2) C 0.19166(6) 1.1295(3) -0.1125(5) 0.0163(3) Uani 1 1 d . . .\r\nH(2) H 0.2100(9) 1.013(3) -0.031(8) 0.020(6) Uiso 1 1 d . . .\r\nC(3) C 0.13563(6) 1.1384(3) -0.0826(5) 0.0139(3) Uani 1 1 d . . .\r\nC(4) C 0.10180(6) 0.9796(3) 0.0519(5) 0.0148(3) Uani 1 1 d . . .\r\nH(4) H 0.1145(8) 0.841(4) 0.146(9) 0.024(6) Uiso 1 1 d . . .\r\nC(5) C 0.04882(6) 1.0238(2) 0.0393(5) 0.0128(3) Uani 1 1 d . . .\r\nC(6) C 0.02834(5) 1.2209(2) -0.1017(5) 0.0122(2) Uani 1 1 d . . .\r\nC(7) C 0.06201(5) 1.3813(3) -0.2291(5) 0.0130(3) Uani 1 1 d . . .\r\nH(7) H 0.0483(8) 1.517(3) -0.307(8) 0.014(6) Uiso 1 1 d . . .\r\nC(8) C 0.11539(6) 1.3383(2) -0.2170(5) 0.0131(3) Uani 1 1 d . . .\r\n\r\nloop_\r\n_atom_site_aniso_label\r\n_atom_site_aniso_U_11\r\n_atom_site_aniso_U_22\r\n_atom_site_aniso_U_33\r\n_atom_site_aniso_U_23\r\n_atom_site_aniso_U_13\r\n_atom_site_aniso_U_12\r\nS(1) 0.01175(14) 0.01439(17) 0.01872(16) 0.00094(13) 0.00075(14) -0.00023(10)\r\nS(2) 0.01510(19) 0.0111(2) 0.0163(2) 0.0030(2) 0.000 0.000\r\nC(1) 0.0122(5) 0.0193(7) 0.0210(8) -0.0020(6) -0.0001(5) 0.0015(5)\r\nC(2) 0.0125(6) 0.0168(7) 0.0197(7) -0.0004(6) -0.0016(5) 0.0028(5)\r\nC(3) 0.0130(5) 0.0132(6) 0.0156(6) -0.0011(6) -0.0015(5) 0.0019(5)\r\nC(4) 0.0152(6) 0.0127(7) 0.0163(7) 0.0008(5) -0.0010(5) 0.0022(5)\r\nC(5) 0.0143(6) 0.0104(6) 0.0136(6) 0.0005(5) -0.0003(5) 0.0002(4)\r\nC(6) 0.0118(5) 0.0114(6) 0.0133(6) 0.0005(5) -0.0002(5) 0.0003(4)\r\nC(7) 0.0111(5) 0.0115(6) 0.0164(6) 0.0009(5) -0.0002(5) 0.0005(4)\r\nC(8) 0.0123(5) 0.0117(7) 0.0151(6) 0.0001(5) -0.0001(5) 0.0006(4)\r\n\r\n_geom_special_details \r\n;\r\nAll esds (except the esd in the dihedral angle between two l.s. planes)\r\nare estimated using the full covariance matrix. The cell esds are taken\r\ninto account individually in the estimation of esds in distances, angles\r\nand torsion angles; correlations between esds in cell parameters are only\r\nused when they are defined by crystal symmetry. An approximate (isotropic)\r\ntreatment of cell esds is used for estimating esds involving l.s. planes.\r\n;\r\n\r\nloop_\r\n_geom_bond_atom_site_label_1\r\n_geom_bond_atom_site_label_2\r\n_geom_bond_distance\r\n_geom_bond_site_symmetry_2\r\n_geom_bond_publ_flag\r\nS(1) C(1) 1.7368(16) . ?\r\nS(1) C(8) 1.7418(16) . ?\r\nS(2) C(5) 1.7506(16) . ?\r\nS(2) C(5) 1.7506(16) 4 ?\r\nC(1) C(2) 1.352(2) . ?\r\nC(1) H(1) 0.97(3) . ?\r\nC(2) C(3) 1.444(2) . ?\r\nC(2) H(2) 0.91(2) . ?\r\nC(3) C(4) 1.400(2) . ?\r\nC(3) C(8) 1.421(2) . ?\r\nC(4) C(5) 1.388(2) . ?\r\nC(4) H(4) 0.97(2) . ?\r\nC(5) C(6) 1.419(2) . ?\r\nC(6) C(7) 1.394(2) . ?\r\nC(6) C(6) 1.456(3) 4 ?\r\nC(7) C(8) 1.396(2) . ?\r\nC(7) H(7) 0.94(2) . ?\r\n\r\nloop_\r\n_geom_angle_atom_site_label_1\r\n_geom_angle_atom_site_label_2\r\n_geom_angle_atom_site_label_3\r\n_geom_angle\r\n_geom_angle_site_symmetry_1\r\n_geom_angle_site_symmetry_3\r\n_geom_angle_publ_flag\r\nC(1) S(1) C(8) 91.25(8) . . ?\r\nC(5) S(2) C(5) 91.48(10) . 4 ?\r\nC(2) C(1) S(1) 113.54(11) . . ?\r\nC(2) C(1) H(1) 128.3(16) . . ?\r\nS(1) C(1) H(1) 117.8(16) . . ?\r\nC(1) C(2) C(3) 112.62(14) . . ?\r\nC(1) C(2) H(2) 126.2(15) . . ?\r\nC(3) C(2) H(2) 121.1(15) . . ?\r\nC(4) C(3) C(8) 119.99(13) . . ?\r\nC(4) C(3) C(2) 128.51(14) . . ?\r\nC(8) C(3) C(2) 111.49(14) . . ?\r\nC(5) C(4) C(3) 117.49(14) . . ?\r\nC(5) C(4) H(4) 120.6(13) . . ?\r\nC(3) C(4) H(4) 121.9(13) . . ?\r\nC(4) C(5) C(6) 122.74(14) . . ?\r\nC(4) C(5) S(2) 124.77(12) . . ?\r\nC(6) C(5) S(2) 112.47(11) . . ?\r\nC(7) C(6) C(5) 119.86(13) . . ?\r\nC(7) C(6) C(6) 128.34(8) . 4 ?\r\nC(5) C(6) C(6) 111.76(8) . 4 ?\r\nC(6) C(7) C(8) 117.79(14) . . ?\r\nC(6) C(7) H(7) 119.4(13) . . ?\r\nC(8) C(7) H(7) 122.7(13) . . ?\r\nC(7) C(8) C(3) 122.10(14) . . ?\r\nC(7) C(8) S(1) 126.78(12) . . ?\r\nC(3) C(8) S(1) 111.08(11) . . ?\r\n\r\n_diffrn_measured_fraction_theta_max 0.865\r\n_diffrn_reflns_theta_full 35.17\r\n_diffrn_measured_fraction_theta_full 0.865\r\n_refine_diff_density_max 0.514\r\n_refine_diff_density_min -0.281\r\n_refine_diff_density_rms 0.064\r\n\r\n\r\n\r\n" }, { "path": "pyxtal/database/cifs/JVASP-119184.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Imm2'\n_symmetry_Int_Tables_number 44\n_symmetry_cell_setting orthorhombic\n_cell_length_a 3.842552\n_cell_length_b 3.897385\n_cell_length_c 60.700549\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 90.000000\n_cell_volume 909.045569\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x, -y, z'\n3 'x, -y, z'\n4 '-x, y, z'\n5 'x+1/2, y+1/2, z+1/2'\n6 '-x+1/2, -y+1/2, z+1/2'\n7 'x+1/2, -y+1/2, z+1/2'\n8 '-x+1/2, y+1/2, z+1/2'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nHf Hf 2 0.000000 0.000000 0.732549 1\nHf Hf 2 0.000000 0.000000 0.066147 1\nHf Hf 2 0.000000 0.500000 0.481474 1\nHf Hf 2 0.000000 0.500000 0.814580 1\nHf Hf 2 0.000000 0.500000 0.147980 1\nHf Hf 2 0.000000 0.000000 0.935382 1\nHf Hf 2 0.000000 0.000000 0.267600 1\nHf Hf 2 0.000000 0.000000 0.601185 1\nSc Sc 2 0.000000 0.500000 0.018034 1\nSc Sc 2 0.000000 0.000000 0.399233 1\nSc Sc 2 0.000000 0.500000 0.350684 1\nSc Sc 2 0.000000 0.500000 0.684512 1\nGa Ga 2 0.000000 0.000000 0.222001 1\nGa Ga 2 0.000000 0.500000 0.972667 1\nGa Ga 2 0.000000 0.500000 0.305348 1\nGa Ga 2 0.000000 0.500000 0.639025 1\nGa Ga 2 0.000000 0.000000 0.444484 1\nGa Ga 2 0.000000 0.000000 0.777616 1\nGa Ga 2 0.000000 0.000000 0.111224 1\nGa Ga 2 0.000000 0.500000 0.861112 1\nGa Ga 2 0.000000 0.500000 0.194619 1\nGa Ga 2 0.000000 0.500000 0.528216 1\nGa Ga 2 0.000000 0.000000 0.888749 1\nGa Ga 2 0.000000 0.000000 0.555567 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-119739.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'C2/m'\n_symmetry_Int_Tables_number 12\n_symmetry_cell_setting monoclinic\n_cell_length_a 9.685370\n_cell_length_b 5.633571\n_cell_length_c 5.773884\n_cell_angle_alpha 90.000000\n_cell_angle_beta 124.441562\n_cell_angle_gamma 90.000000\n_cell_volume 259.816010\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x, y, -z'\n3 '-x, -y, -z'\n4 'x, -y, z'\n5 'x+1/2, y+1/2, z'\n6 '-x+1/2, y+1/2, -z'\n7 '-x+1/2, -y+1/2, -z'\n8 'x+1/2, -y+1/2, z'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nLi Li 4 0.250000 0.250000 0.500000 1\nFe Fe 2 0.000000 0.500000 0.000000 1\nFe Fe 4 0.250000 0.250000 0.000000 1\nCo Co 2 0.000000 0.000000 0.000000 1\nO O 8 0.486427 0.248883 0.205414 1\nO O 4 0.738939 0.000000 0.215862 1\nO O 4 0.237598 0.000000 0.215022 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-141590.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'R-3m'\n_symmetry_Int_Tables_number 166\n_symmetry_cell_setting trigonal\n_cell_length_a 2.996808\n_cell_length_b 2.996808\n_cell_length_c 72.791435\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 120.000000\n_cell_volume 566.146583\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-y, x-y, z'\n3 '-x+y, -x, z'\n4 'y, x, -z'\n5 'x-y, -y, -z'\n6 '-x, -x+y, -z'\n7 '-x, -y, -z'\n8 'y, -x+y, -z'\n9 'x-y, x, -z'\n10 '-y, -x, z'\n11 '-x+y, y, z'\n12 'x, x-y, z'\n13 'x+2/3, y+1/3, z+1/3'\n14 '-y+2/3, x-y+1/3, z+1/3'\n15 '-x+y+2/3, -x+1/3, z+1/3'\n16 'y+2/3, x+1/3, -z+1/3'\n17 'x-y+2/3, -y+1/3, -z+1/3'\n18 '-x+2/3, -x+y+1/3, -z+1/3'\n19 '-x+2/3, -y+1/3, -z+1/3'\n20 'y+2/3, -x+y+1/3, -z+1/3'\n21 'x-y+2/3, x+1/3, -z+1/3'\n22 '-y+2/3, -x+1/3, z+1/3'\n23 '-x+y+2/3, y+1/3, z+1/3'\n24 'x+2/3, x-y+1/3, z+1/3'\n25 'x+1/3, y+2/3, z+2/3'\n26 '-y+1/3, x-y+2/3, z+2/3'\n27 '-x+y+1/3, -x+2/3, z+2/3'\n28 'y+1/3, x+2/3, -z+2/3'\n29 'x-y+1/3, -y+2/3, -z+2/3'\n30 '-x+1/3, -x+y+2/3, -z+2/3'\n31 '-x+1/3, -y+2/3, -z+2/3'\n32 'y+1/3, -x+y+2/3, -z+2/3'\n33 'x-y+1/3, x+2/3, -z+2/3'\n34 '-y+1/3, -x+2/3, z+2/3'\n35 '-x+y+1/3, y+2/3, z+2/3'\n36 'x+1/3, x-y+2/3, z+2/3'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nZn Zn 6 0.000000 0.000000 0.600619 1\nZn Zn 3 0.000000 0.000000 0.500000 1\nNi Ni 6 0.000000 0.000000 0.699007 1\nNi Ni 6 0.000000 0.000000 0.900149 1\nNi Ni 3 0.000000 0.000000 0.000000 1\nNi Ni 6 0.000000 0.000000 0.799525 1\nO O 6 0.000000 0.000000 0.650567 1\nO O 6 0.000000 0.000000 0.749992 1\nO O 6 0.000000 0.000000 0.449683 1\nO O 6 0.000000 0.000000 0.850611 1\nO O 6 0.000000 0.000000 0.951233 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-25063.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Pmna'\n_symmetry_Int_Tables_number 53\n_symmetry_cell_setting orthorhombic\n_cell_length_a 3.322129\n_cell_length_b 30.169808\n_cell_length_c 4.579330\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 90.000000\n_cell_volume 458.977131\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x+1/2, -y, z+1/2'\n3 '-x+1/2, y, -z+1/2'\n4 'x, -y, -z'\n5 '-x, -y, -z'\n6 'x+1/2, y, -z+1/2'\n7 'x+1/2, -y, z+1/2'\n8 '-x, y, z'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nP P 4 0.000000 0.964682 0.586695 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-28565.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Cm'\n_symmetry_Int_Tables_number 8\n_symmetry_cell_setting monoclinic\n_cell_length_a 5.809700\n_cell_length_b 3.354234\n_cell_length_c 29.227006\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.010508\n_cell_angle_gamma 90.000000\n_cell_volume 569.549357\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 'x, -y, z'\n3 'x+1/2, y+1/2, z'\n4 'x+1/2, -y+1/2, z'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nTe Te 2 0.666712 0.000000 0.408805 1\nTe Te 2 0.666593 0.000000 0.278867 1\nMo Mo 2 0.666481 0.000000 0.114581 1\nMo Mo 2 0.333320 0.000000 0.343874 1\nW W 2 0.666885 0.000000 0.582526 1\nSe Se 2 0.333504 0.000000 0.525262 1\nSe Se 2 0.333600 0.000000 0.639696 1\nS S 2 0.333097 0.000000 0.062761 1\nS S 2 0.333204 0.000000 0.166468 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-28634.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Cm'\n_symmetry_Int_Tables_number 8\n_symmetry_cell_setting monoclinic\n_cell_length_a 5.585948\n_cell_length_b 3.225049\n_cell_length_c 34.140684\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000337\n_cell_angle_gamma 90.000000\n_cell_volume 615.043027\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 'x, -y, z'\n3 'x+1/2, y+1/2, z'\n4 'x+1/2, -y+1/2, z'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nMo Mo 2 0.666685 0.000000 0.906546 1\nW W 2 0.666683 0.000000 0.527914 1\nW W 2 0.333330 0.000000 0.717520 1\nW W 2 0.333301 0.000000 0.345107 1\nSe Se 2 0.666656 0.000000 0.667102 1\nSe Se 2 0.666672 0.000000 0.767938 1\nS S 2 0.666626 0.000000 0.299323 1\nS S 2 0.333352 0.000000 0.952081 1\nS S 2 0.333351 0.000000 0.573744 1\nS S 2 0.333352 0.000000 0.860953 1\nS S 2 0.333349 0.000000 0.482099 1\nS S 2 0.666643 0.000000 0.390925 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-36885.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Pm'\n_symmetry_Int_Tables_number 6\n_symmetry_cell_setting monoclinic\n_cell_length_a 4.139160\n_cell_length_b 4.139218\n_cell_length_c 4.139305\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000190\n_cell_angle_gamma 90.000000\n_cell_volume 70.918246\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 'x, -y, z'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nTl Tl 1 0.990021 0.500000 0.993980 1\nCo Co 1 0.489993 0.000000 0.494006 1\nF F 1 0.989992 0.000000 0.494005 1\nF F 1 0.489999 0.500000 0.494002 1\nF F 1 0.489996 0.000000 0.994009 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-37583.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Fm-3m'\n_symmetry_Int_Tables_number 225\n_symmetry_cell_setting cubic\n_cell_length_a 5.977442\n_cell_length_b 5.977442\n_cell_length_c 5.977442\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 90.000000\n_cell_volume 213.572858\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x, -y, z'\n3 '-x, y, -z'\n4 'x, -y, -z'\n5 'z, x, y'\n6 'z, -x, -y'\n7 '-z, -x, y'\n8 '-z, x, -y'\n9 'y, z, x'\n10 '-y, z, -x'\n11 'y, -z, -x'\n12 '-y, -z, x'\n13 'y, x, -z'\n14 '-y, -x, -z'\n15 'y, -x, z'\n16 '-y, x, z'\n17 'x, z, -y'\n18 '-x, z, y'\n19 '-x, -z, -y'\n20 'x, -z, y'\n21 'z, y, -x'\n22 'z, -y, x'\n23 '-z, y, x'\n24 '-z, -y, -x'\n25 '-x, -y, -z'\n26 'x, y, -z'\n27 'x, -y, z'\n28 '-x, y, z'\n29 '-z, -x, -y'\n30 '-z, x, y'\n31 'z, x, -y'\n32 'z, -x, y'\n33 '-y, -z, -x'\n34 'y, -z, x'\n35 '-y, z, x'\n36 'y, z, -x'\n37 '-y, -x, z'\n38 'y, x, z'\n39 '-y, x, -z'\n40 'y, -x, -z'\n41 '-x, -z, y'\n42 'x, -z, -y'\n43 'x, z, y'\n44 '-x, z, -y'\n45 '-z, -y, x'\n46 '-z, y, -x'\n47 'z, -y, -x'\n48 'z, y, x'\n49 'x, y+1/2, z+1/2'\n50 '-x, -y+1/2, z+1/2'\n51 '-x, y+1/2, -z+1/2'\n52 'x, -y+1/2, -z+1/2'\n53 'z, x+1/2, y+1/2'\n54 'z, -x+1/2, -y+1/2'\n55 '-z, -x+1/2, y+1/2'\n56 '-z, x+1/2, -y+1/2'\n57 'y, z+1/2, x+1/2'\n58 '-y, z+1/2, -x+1/2'\n59 'y, -z+1/2, -x+1/2'\n60 '-y, -z+1/2, x+1/2'\n61 'y, x+1/2, -z+1/2'\n62 '-y, -x+1/2, -z+1/2'\n63 'y, -x+1/2, z+1/2'\n64 '-y, x+1/2, z+1/2'\n65 'x, z+1/2, -y+1/2'\n66 '-x, z+1/2, y+1/2'\n67 '-x, -z+1/2, -y+1/2'\n68 'x, -z+1/2, y+1/2'\n69 'z, y+1/2, -x+1/2'\n70 'z, -y+1/2, x+1/2'\n71 '-z, y+1/2, x+1/2'\n72 '-z, -y+1/2, -x+1/2'\n73 '-x, -y+1/2, -z+1/2'\n74 'x, y+1/2, -z+1/2'\n75 'x, -y+1/2, z+1/2'\n76 '-x, y+1/2, z+1/2'\n77 '-z, -x+1/2, -y+1/2'\n78 '-z, x+1/2, y+1/2'\n79 'z, x+1/2, -y+1/2'\n80 'z, -x+1/2, y+1/2'\n81 '-y, -z+1/2, -x+1/2'\n82 'y, -z+1/2, x+1/2'\n83 '-y, z+1/2, x+1/2'\n84 'y, z+1/2, -x+1/2'\n85 '-y, -x+1/2, z+1/2'\n86 'y, x+1/2, z+1/2'\n87 '-y, x+1/2, -z+1/2'\n88 'y, -x+1/2, -z+1/2'\n89 '-x, -z+1/2, y+1/2'\n90 'x, -z+1/2, -y+1/2'\n91 'x, z+1/2, y+1/2'\n92 '-x, z+1/2, -y+1/2'\n93 '-z, -y+1/2, x+1/2'\n94 '-z, y+1/2, -x+1/2'\n95 'z, -y+1/2, -x+1/2'\n96 'z, y+1/2, x+1/2'\n97 'x+1/2, y, z+1/2'\n98 '-x+1/2, -y, z+1/2'\n99 '-x+1/2, y, -z+1/2'\n100 'x+1/2, -y, -z+1/2'\n101 'z+1/2, x, y+1/2'\n102 'z+1/2, -x, -y+1/2'\n103 '-z+1/2, -x, y+1/2'\n104 '-z+1/2, x, -y+1/2'\n105 'y+1/2, z, x+1/2'\n106 '-y+1/2, z, -x+1/2'\n107 'y+1/2, -z, -x+1/2'\n108 '-y+1/2, -z, x+1/2'\n109 'y+1/2, x, -z+1/2'\n110 '-y+1/2, -x, -z+1/2'\n111 'y+1/2, -x, z+1/2'\n112 '-y+1/2, x, z+1/2'\n113 'x+1/2, z, -y+1/2'\n114 '-x+1/2, z, y+1/2'\n115 '-x+1/2, -z, -y+1/2'\n116 'x+1/2, -z, y+1/2'\n117 'z+1/2, y, -x+1/2'\n118 'z+1/2, -y, x+1/2'\n119 '-z+1/2, y, x+1/2'\n120 '-z+1/2, -y, -x+1/2'\n121 '-x+1/2, -y, -z+1/2'\n122 'x+1/2, y, -z+1/2'\n123 'x+1/2, -y, z+1/2'\n124 '-x+1/2, y, z+1/2'\n125 '-z+1/2, -x, -y+1/2'\n126 '-z+1/2, x, y+1/2'\n127 'z+1/2, x, -y+1/2'\n128 'z+1/2, -x, y+1/2'\n129 '-y+1/2, -z, -x+1/2'\n130 'y+1/2, -z, x+1/2'\n131 '-y+1/2, z, x+1/2'\n132 'y+1/2, z, -x+1/2'\n133 '-y+1/2, -x, z+1/2'\n134 'y+1/2, x, z+1/2'\n135 '-y+1/2, x, -z+1/2'\n136 'y+1/2, -x, -z+1/2'\n137 '-x+1/2, -z, y+1/2'\n138 'x+1/2, -z, -y+1/2'\n139 'x+1/2, z, y+1/2'\n140 '-x+1/2, z, -y+1/2'\n141 '-z+1/2, -y, x+1/2'\n142 '-z+1/2, y, -x+1/2'\n143 'z+1/2, -y, -x+1/2'\n144 'z+1/2, y, x+1/2'\n145 'x+1/2, y+1/2, z'\n146 '-x+1/2, -y+1/2, z'\n147 '-x+1/2, y+1/2, -z'\n148 'x+1/2, -y+1/2, -z'\n149 'z+1/2, x+1/2, y'\n150 'z+1/2, -x+1/2, -y'\n151 '-z+1/2, -x+1/2, y'\n152 '-z+1/2, x+1/2, -y'\n153 'y+1/2, z+1/2, x'\n154 '-y+1/2, z+1/2, -x'\n155 'y+1/2, -z+1/2, -x'\n156 '-y+1/2, -z+1/2, x'\n157 'y+1/2, x+1/2, -z'\n158 '-y+1/2, -x+1/2, -z'\n159 'y+1/2, -x+1/2, z'\n160 '-y+1/2, x+1/2, z'\n161 'x+1/2, z+1/2, -y'\n162 '-x+1/2, z+1/2, y'\n163 '-x+1/2, -z+1/2, -y'\n164 'x+1/2, -z+1/2, y'\n165 'z+1/2, y+1/2, -x'\n166 'z+1/2, -y+1/2, x'\n167 '-z+1/2, y+1/2, x'\n168 '-z+1/2, -y+1/2, -x'\n169 '-x+1/2, -y+1/2, -z'\n170 'x+1/2, y+1/2, -z'\n171 'x+1/2, -y+1/2, z'\n172 '-x+1/2, y+1/2, z'\n173 '-z+1/2, -x+1/2, -y'\n174 '-z+1/2, x+1/2, y'\n175 'z+1/2, x+1/2, -y'\n176 'z+1/2, -x+1/2, y'\n177 '-y+1/2, -z+1/2, -x'\n178 'y+1/2, -z+1/2, x'\n179 '-y+1/2, z+1/2, x'\n180 'y+1/2, z+1/2, -x'\n181 '-y+1/2, -x+1/2, z'\n182 'y+1/2, x+1/2, z'\n183 '-y+1/2, x+1/2, -z'\n184 'y+1/2, -x+1/2, -z'\n185 '-x+1/2, -z+1/2, y'\n186 'x+1/2, -z+1/2, -y'\n187 'x+1/2, z+1/2, y'\n188 '-x+1/2, z+1/2, -y'\n189 '-z+1/2, -y+1/2, x'\n190 '-z+1/2, y+1/2, -x'\n191 'z+1/2, -y+1/2, -x'\n192 'z+1/2, y+1/2, x'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nV V 4 0.000000 0.000000 0.000000 1\nFe Fe 4 0.500000 0.500000 0.500000 1\nRu Ru 8 0.250000 0.250000 0.250000 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-42300.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'C2'\n_symmetry_Int_Tables_number 5\n_symmetry_cell_setting monoclinic\n_cell_length_a 5.592144\n_cell_length_b 8.755606\n_cell_length_c 8.787107\n_cell_angle_alpha 90.000000\n_cell_angle_beta 108.553375\n_cell_angle_gamma 90.000000\n_cell_volume 407.879123\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x, y, -z'\n3 'x+1/2, y+1/2, z'\n4 '-x+1/2, y+1/2, -z'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nLi Li 4 0.830291 0.999932 0.660557 1\nLi Li 4 0.669936 0.750048 0.839888 1\nMn Mn 2 0.000000 0.000001 0.000000 1\nMn Mn 4 0.663968 0.000011 0.327931 1\nCr Cr 4 0.665334 0.249997 0.830654 1\nCr Cr 2 0.000000 0.250000 0.500000 1\nO O 4 0.680300 0.024376 0.831902 1\nO O 2 0.000000 0.781644 0.000000 1\nO O 4 0.672387 0.220546 0.326212 1\nO O 2 0.000000 0.025582 0.500000 1\nO O 4 0.848388 0.975618 0.168090 1\nO O 2 0.000000 0.218356 0.000000 1\nO O 4 0.346165 0.779478 0.673784 1\nO O 2 0.000000 0.474422 0.500000 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-43424.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'C2/c'\n_symmetry_Int_Tables_number 15\n_symmetry_cell_setting monoclinic\n_cell_length_a 8.057950\n_cell_length_b 8.090396\n_cell_length_c 5.830125\n_cell_angle_alpha 90.000000\n_cell_angle_beta 131.704957\n_cell_angle_gamma 90.000000\n_cell_volume 283.758536\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x, y, -z+1/2'\n3 '-x, -y, -z'\n4 'x, -y, z+1/2'\n5 'x+1/2, y+1/2, z'\n6 '-x+1/2, y+1/2, -z+1/2'\n7 '-x+1/2, -y+1/2, -z'\n8 'x+1/2, -y+1/2, z+1/2'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nLi Li 4 0.000000 0.000000 0.000000 1\nLi Li 4 0.250000 0.250000 0.000000 1\nMn Mn 4 0.000000 0.500000 0.000000 1\nCu Cu 4 0.250000 0.250000 0.500000 1\nO O 8 0.718397 0.001980 0.954780 1\nO O 8 0.016298 0.734366 0.021492 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-45907.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'R-3m'\n_symmetry_Int_Tables_number 166\n_symmetry_cell_setting trigonal\n_cell_length_a 3.002400\n_cell_length_b 3.002400\n_cell_length_c 72.933336\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 120.000000\n_cell_volume 569.368925\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-y, x-y, z'\n3 '-x+y, -x, z'\n4 'y, x, -z'\n5 'x-y, -y, -z'\n6 '-x, -x+y, -z'\n7 '-x, -y, -z'\n8 'y, -x+y, -z'\n9 'x-y, x, -z'\n10 '-y, -x, z'\n11 '-x+y, y, z'\n12 'x, x-y, z'\n13 'x+2/3, y+1/3, z+1/3'\n14 '-y+2/3, x-y+1/3, z+1/3'\n15 '-x+y+2/3, -x+1/3, z+1/3'\n16 'y+2/3, x+1/3, -z+1/3'\n17 'x-y+2/3, -y+1/3, -z+1/3'\n18 '-x+2/3, -x+y+1/3, -z+1/3'\n19 '-x+2/3, -y+1/3, -z+1/3'\n20 'y+2/3, -x+y+1/3, -z+1/3'\n21 'x-y+2/3, x+1/3, -z+1/3'\n22 '-y+2/3, -x+1/3, z+1/3'\n23 '-x+y+2/3, y+1/3, z+1/3'\n24 'x+2/3, x-y+1/3, z+1/3'\n25 'x+1/3, y+2/3, z+2/3'\n26 '-y+1/3, x-y+2/3, z+2/3'\n27 '-x+y+1/3, -x+2/3, z+2/3'\n28 'y+1/3, x+2/3, -z+2/3'\n29 'x-y+1/3, -y+2/3, -z+2/3'\n30 '-x+1/3, -x+y+2/3, -z+2/3'\n31 '-x+1/3, -y+2/3, -z+2/3'\n32 'y+1/3, -x+y+2/3, -z+2/3'\n33 'x-y+1/3, x+2/3, -z+2/3'\n34 '-y+1/3, -x+2/3, z+2/3'\n35 '-x+y+1/3, y+2/3, z+2/3'\n36 'x+1/3, x-y+2/3, z+2/3'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nZn Zn 6 0.000000 0.000000 0.100609 1\nZn Zn 3 0.000000 0.000000 0.000000 1\nNi Ni 6 0.000000 0.000000 0.800990 1\nNi Ni 6 0.000000 0.000000 0.400147 1\nNi Ni 3 0.000000 0.000000 0.500000 1\nNi Ni 6 0.000000 0.000000 0.299534 1\nO O 6 0.000000 0.000000 0.150554 1\nO O 6 0.000000 0.000000 0.249977 1\nO O 6 0.000000 0.000000 0.050310 1\nO O 6 0.000000 0.000000 0.350596 1\nO O 6 0.000000 0.000000 0.451229 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-47532.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'P2/m'\n_symmetry_Int_Tables_number 10\n_symmetry_cell_setting monoclinic\n_cell_length_a 5.343986\n_cell_length_b 3.078251\n_cell_length_c 7.531201\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.116449\n_cell_angle_gamma 90.000000\n_cell_volume 123.889003\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x, y, -z'\n3 '-x, -y, -z'\n4 'x, -y, z'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nMn Mn 2 0.330707 0.000000 0.662283 1\nMn Mn 1 0.500000 0.500000 0.000000 1\nMn Mn 1 0.000000 0.000000 0.000000 1\nFe Fe 2 0.835235 0.500000 0.664951 1\nO O 2 0.667897 0.000000 0.829994 1\nO O 2 0.166981 0.500000 0.832570 1\nO O 1 0.500000 0.500000 0.500000 1\nO O 1 0.000000 0.000000 0.500000 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-50935.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Pm'\n_symmetry_Int_Tables_number 6\n_symmetry_cell_setting monoclinic\n_cell_length_a 3.275877\n_cell_length_b 12.022365\n_cell_length_c 3.275934\n_cell_angle_alpha 90.000000\n_cell_angle_beta 119.998614\n_cell_angle_gamma 90.000000\n_cell_volume 111.735027\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 'x, -y, z'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nAl Al 1 0.666664 0.500000 0.333276 1\nAl Al 1 0.333337 0.000000 0.666625 1\nIn In 2 0.999999 0.750002 1.000000 1\nO O 1 0.999999 0.500000 0.999942 1\nO O 1 0.000002 0.000000 0.999965 1\nO O 2 0.666657 0.342073 0.333341 1\nO O 2 0.333342 0.157923 0.666662 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-59313.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Ia-3d'\n_symmetry_Int_Tables_number 230\n_symmetry_cell_setting cubic\n_cell_length_a 11.932675\n_cell_length_b 11.932675\n_cell_length_c 11.932675\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 90.000000\n_cell_volume 1699.078623\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x+1/2, -y, z+1/2'\n3 '-x, y+1/2, -z+1/2'\n4 'x+1/2, -y+1/2, -z'\n5 'z, x, y'\n6 'z+1/2, -x+1/2, -y'\n7 '-z+1/2, -x, y+1/2'\n8 '-z, x+1/2, -y+1/2'\n9 'y, z, x'\n10 '-y, z+1/2, -x+1/2'\n11 'y+1/2, -z+1/2, -x'\n12 '-y+1/2, -z, x+1/2'\n13 'y+3/4, x+1/4, -z+1/4'\n14 '-y+3/4, -x+3/4, -z+3/4'\n15 'y+1/4, -x+1/4, z+3/4'\n16 '-y+1/4, x+3/4, z+1/4'\n17 'x+3/4, z+1/4, -y+1/4'\n18 '-x+1/4, z+3/4, y+1/4'\n19 '-x+3/4, -z+3/4, -y+3/4'\n20 'x+1/4, -z+1/4, y+3/4'\n21 'z+3/4, y+1/4, -x+1/4'\n22 'z+1/4, -y+1/4, x+3/4'\n23 '-z+1/4, y+3/4, x+1/4'\n24 '-z+3/4, -y+3/4, -x+3/4'\n25 '-x, -y, -z'\n26 'x+1/2, y, -z+1/2'\n27 'x, -y+1/2, z+1/2'\n28 '-x+1/2, y+1/2, z'\n29 '-z, -x, -y'\n30 '-z+1/2, x+1/2, y'\n31 'z+1/2, x, -y+1/2'\n32 'z, -x+1/2, y+1/2'\n33 '-y, -z, -x'\n34 'y, -z+1/2, x+1/2'\n35 '-y+1/2, z+1/2, x'\n36 'y+1/2, z, -x+1/2'\n37 '-y+1/4, -x+3/4, z+3/4'\n38 'y+1/4, x+1/4, z+1/4'\n39 '-y+3/4, x+3/4, -z+1/4'\n40 'y+3/4, -x+1/4, -z+3/4'\n41 '-x+1/4, -z+3/4, y+3/4'\n42 'x+3/4, -z+1/4, -y+3/4'\n43 'x+1/4, z+1/4, y+1/4'\n44 '-x+3/4, z+3/4, -y+1/4'\n45 '-z+1/4, -y+3/4, x+3/4'\n46 '-z+3/4, y+3/4, -x+1/4'\n47 'z+3/4, -y+1/4, -x+3/4'\n48 'z+1/4, y+1/4, x+1/4'\n49 'x+1/2, y+1/2, z+1/2'\n50 '-x+1, -y+1/2, z+1'\n51 '-x+1/2, y+1, -z+1'\n52 'x+1, -y+1, -z+1/2'\n53 'z+1/2, x+1/2, y+1/2'\n54 'z+1, -x+1, -y+1/2'\n55 '-z+1, -x+1/2, y+1'\n56 '-z+1/2, x+1, -y+1'\n57 'y+1/2, z+1/2, x+1/2'\n58 '-y+1/2, z+1, -x+1'\n59 'y+1, -z+1, -x+1/2'\n60 '-y+1, -z+1/2, x+1'\n61 'y+5/4, x+3/4, -z+3/4'\n62 '-y+5/4, -x+5/4, -z+5/4'\n63 'y+3/4, -x+3/4, z+5/4'\n64 '-y+3/4, x+5/4, z+3/4'\n65 'x+5/4, z+3/4, -y+3/4'\n66 '-x+3/4, z+5/4, y+3/4'\n67 '-x+5/4, -z+5/4, -y+5/4'\n68 'x+3/4, -z+3/4, y+5/4'\n69 'z+5/4, y+3/4, -x+3/4'\n70 'z+3/4, -y+3/4, x+5/4'\n71 '-z+3/4, y+5/4, x+3/4'\n72 '-z+5/4, -y+5/4, -x+5/4'\n73 '-x+1/2, -y+1/2, -z+1/2'\n74 'x+1, y+1/2, -z+1'\n75 'x+1/2, -y+1, z+1'\n76 '-x+1, y+1, z+1/2'\n77 '-z+1/2, -x+1/2, -y+1/2'\n78 '-z+1, x+1, y+1/2'\n79 'z+1, x+1/2, -y+1'\n80 'z+1/2, -x+1, y+1'\n81 '-y+1/2, -z+1/2, -x+1/2'\n82 'y+1/2, -z+1, x+1'\n83 '-y+1, z+1, x+1/2'\n84 'y+1, z+1/2, -x+1'\n85 '-y+3/4, -x+5/4, z+5/4'\n86 'y+3/4, x+3/4, z+3/4'\n87 '-y+5/4, x+5/4, -z+3/4'\n88 'y+5/4, -x+3/4, -z+5/4'\n89 '-x+3/4, -z+5/4, y+5/4'\n90 'x+5/4, -z+3/4, -y+5/4'\n91 'x+3/4, z+3/4, y+3/4'\n92 '-x+5/4, z+5/4, -y+3/4'\n93 '-z+3/4, -y+5/4, x+5/4'\n94 '-z+5/4, y+5/4, -x+3/4'\n95 'z+5/4, -y+3/4, -x+5/4'\n96 'z+3/4, y+3/4, x+3/4'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nCa Ca 24 0.125000 0.000000 0.250000 1\nAl Al 16 0.000000 0.000000 0.000000 1\nSi Si 24 0.375000 0.000000 0.250000 1\nO O 96 0.151095 0.962037 0.045514 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-62168.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Pnma'\n_symmetry_Int_Tables_number 62\n_symmetry_cell_setting orthorhombic\n_cell_length_a 5.090013\n_cell_length_b 4.920858\n_cell_length_c 14.490952\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 90.000000\n_cell_volume 362.958239\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x+1/2, -y, z+1/2'\n3 '-x, y+1/2, -z'\n4 'x+1/2, -y+1/2, -z+1/2'\n5 '-x, -y, -z'\n6 'x+1/2, y, -z+1/2'\n7 'x, -y+1/2, z'\n8 '-x+1/2, y+1/2, z+1/2'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nHf Hf 4 0.156423 0.250000 0.598895 1\nAu Au 4 0.173881 0.250000 0.195130 1\nAu Au 4 0.154963 0.250000 0.400932 1\nAu Au 4 0.157036 0.250000 0.798177 1\nAu Au 4 0.160491 0.250000 0.998295 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-85365.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'P4/mmm'\n_symmetry_Int_Tables_number 123\n_symmetry_cell_setting tetragonal\n_cell_length_a 5.681023\n_cell_length_b 5.681023\n_cell_length_c 5.667377\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 90.000000\n_cell_volume 182.909016\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x, -y, z'\n3 '-y, x, z'\n4 'y, -x, z'\n5 '-x, y, -z'\n6 'x, -y, -z'\n7 'y, x, -z'\n8 '-y, -x, -z'\n9 '-x, -y, -z'\n10 'x, y, -z'\n11 'y, -x, -z'\n12 '-y, x, -z'\n13 'x, -y, z'\n14 '-x, y, z'\n15 '-y, -x, z'\n16 'y, x, z'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nFe Fe 8 0.249779 0.249779 0.249943 1\nFe Fe 1 0.500000 0.500000 0.000000 1\nFe Fe 1 0.500000 0.500000 0.500000 1\nFe Fe 1 0.000000 0.000000 0.500000 1\nCo Co 2 0.000000 0.500000 0.000000 1\nCo Co 2 0.000000 0.500000 0.500000 1\nCo Co 1 0.000000 0.000000 0.000000 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-86205.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Im-3'\n_symmetry_Int_Tables_number 204\n_symmetry_cell_setting cubic\n_cell_length_a 9.442214\n_cell_length_b 9.442214\n_cell_length_c 9.442214\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 90.000000\n_cell_volume 841.824379\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x, -y, z'\n3 '-x, y, -z'\n4 'x, -y, -z'\n5 'z, x, y'\n6 'z, -x, -y'\n7 '-z, -x, y'\n8 '-z, x, -y'\n9 'y, z, x'\n10 '-y, z, -x'\n11 'y, -z, -x'\n12 '-y, -z, x'\n13 '-x, -y, -z'\n14 'x, y, -z'\n15 'x, -y, z'\n16 '-x, y, z'\n17 '-z, -x, -y'\n18 '-z, x, y'\n19 'z, x, -y'\n20 'z, -x, y'\n21 '-y, -z, -x'\n22 'y, -z, x'\n23 '-y, z, x'\n24 'y, z, -x'\n25 'x+1/2, y+1/2, z+1/2'\n26 '-x+1/2, -y+1/2, z+1/2'\n27 '-x+1/2, y+1/2, -z+1/2'\n28 'x+1/2, -y+1/2, -z+1/2'\n29 'z+1/2, x+1/2, y+1/2'\n30 'z+1/2, -x+1/2, -y+1/2'\n31 '-z+1/2, -x+1/2, y+1/2'\n32 '-z+1/2, x+1/2, -y+1/2'\n33 'y+1/2, z+1/2, x+1/2'\n34 '-y+1/2, z+1/2, -x+1/2'\n35 'y+1/2, -z+1/2, -x+1/2'\n36 '-y+1/2, -z+1/2, x+1/2'\n37 '-x+1/2, -y+1/2, -z+1/2'\n38 'x+1/2, y+1/2, -z+1/2'\n39 'x+1/2, -y+1/2, z+1/2'\n40 '-x+1/2, y+1/2, z+1/2'\n41 '-z+1/2, -x+1/2, -y+1/2'\n42 '-z+1/2, x+1/2, y+1/2'\n43 'z+1/2, x+1/2, -y+1/2'\n44 'z+1/2, -x+1/2, y+1/2'\n45 '-y+1/2, -z+1/2, -x+1/2'\n46 'y+1/2, -z+1/2, x+1/2'\n47 '-y+1/2, z+1/2, x+1/2'\n48 'y+1/2, z+1/2, -x+1/2'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nSm Sm 2 0.000000 0.000000 0.000000 1\nSb Sb 24 0.000000 0.337974 0.155972 1\nOs Os 8 0.250000 0.250000 0.250000 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-97915.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Fm-3m'\n_symmetry_Int_Tables_number 225\n_symmetry_cell_setting cubic\n_cell_length_a 17.515341\n_cell_length_b 17.515341\n_cell_length_c 17.515341\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 90.000000\n_cell_volume 5373.481742\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x, -y, z'\n3 '-x, y, -z'\n4 'x, -y, -z'\n5 'z, x, y'\n6 'z, -x, -y'\n7 '-z, -x, y'\n8 '-z, x, -y'\n9 'y, z, x'\n10 '-y, z, -x'\n11 'y, -z, -x'\n12 '-y, -z, x'\n13 'y, x, -z'\n14 '-y, -x, -z'\n15 'y, -x, z'\n16 '-y, x, z'\n17 'x, z, -y'\n18 '-x, z, y'\n19 '-x, -z, -y'\n20 'x, -z, y'\n21 'z, y, -x'\n22 'z, -y, x'\n23 '-z, y, x'\n24 '-z, -y, -x'\n25 '-x, -y, -z'\n26 'x, y, -z'\n27 'x, -y, z'\n28 '-x, y, z'\n29 '-z, -x, -y'\n30 '-z, x, y'\n31 'z, x, -y'\n32 'z, -x, y'\n33 '-y, -z, -x'\n34 'y, -z, x'\n35 '-y, z, x'\n36 'y, z, -x'\n37 '-y, -x, z'\n38 'y, x, z'\n39 '-y, x, -z'\n40 'y, -x, -z'\n41 '-x, -z, y'\n42 'x, -z, -y'\n43 'x, z, y'\n44 '-x, z, -y'\n45 '-z, -y, x'\n46 '-z, y, -x'\n47 'z, -y, -x'\n48 'z, y, x'\n49 'x, y+1/2, z+1/2'\n50 '-x, -y+1/2, z+1/2'\n51 '-x, y+1/2, -z+1/2'\n52 'x, -y+1/2, -z+1/2'\n53 'z, x+1/2, y+1/2'\n54 'z, -x+1/2, -y+1/2'\n55 '-z, -x+1/2, y+1/2'\n56 '-z, x+1/2, -y+1/2'\n57 'y, z+1/2, x+1/2'\n58 '-y, z+1/2, -x+1/2'\n59 'y, -z+1/2, -x+1/2'\n60 '-y, -z+1/2, x+1/2'\n61 'y, x+1/2, -z+1/2'\n62 '-y, -x+1/2, -z+1/2'\n63 'y, -x+1/2, z+1/2'\n64 '-y, x+1/2, z+1/2'\n65 'x, z+1/2, -y+1/2'\n66 '-x, z+1/2, y+1/2'\n67 '-x, -z+1/2, -y+1/2'\n68 'x, -z+1/2, y+1/2'\n69 'z, y+1/2, -x+1/2'\n70 'z, -y+1/2, x+1/2'\n71 '-z, y+1/2, x+1/2'\n72 '-z, -y+1/2, -x+1/2'\n73 '-x, -y+1/2, -z+1/2'\n74 'x, y+1/2, -z+1/2'\n75 'x, -y+1/2, z+1/2'\n76 '-x, y+1/2, z+1/2'\n77 '-z, -x+1/2, -y+1/2'\n78 '-z, x+1/2, y+1/2'\n79 'z, x+1/2, -y+1/2'\n80 'z, -x+1/2, y+1/2'\n81 '-y, -z+1/2, -x+1/2'\n82 'y, -z+1/2, x+1/2'\n83 '-y, z+1/2, x+1/2'\n84 'y, z+1/2, -x+1/2'\n85 '-y, -x+1/2, z+1/2'\n86 'y, x+1/2, z+1/2'\n87 '-y, x+1/2, -z+1/2'\n88 'y, -x+1/2, -z+1/2'\n89 '-x, -z+1/2, y+1/2'\n90 'x, -z+1/2, -y+1/2'\n91 'x, z+1/2, y+1/2'\n92 '-x, z+1/2, -y+1/2'\n93 '-z, -y+1/2, x+1/2'\n94 '-z, y+1/2, -x+1/2'\n95 'z, -y+1/2, -x+1/2'\n96 'z, y+1/2, x+1/2'\n97 'x+1/2, y, z+1/2'\n98 '-x+1/2, -y, z+1/2'\n99 '-x+1/2, y, -z+1/2'\n100 'x+1/2, -y, -z+1/2'\n101 'z+1/2, x, y+1/2'\n102 'z+1/2, -x, -y+1/2'\n103 '-z+1/2, -x, y+1/2'\n104 '-z+1/2, x, -y+1/2'\n105 'y+1/2, z, x+1/2'\n106 '-y+1/2, z, -x+1/2'\n107 'y+1/2, -z, -x+1/2'\n108 '-y+1/2, -z, x+1/2'\n109 'y+1/2, x, -z+1/2'\n110 '-y+1/2, -x, -z+1/2'\n111 'y+1/2, -x, z+1/2'\n112 '-y+1/2, x, z+1/2'\n113 'x+1/2, z, -y+1/2'\n114 '-x+1/2, z, y+1/2'\n115 '-x+1/2, -z, -y+1/2'\n116 'x+1/2, -z, y+1/2'\n117 'z+1/2, y, -x+1/2'\n118 'z+1/2, -y, x+1/2'\n119 '-z+1/2, y, x+1/2'\n120 '-z+1/2, -y, -x+1/2'\n121 '-x+1/2, -y, -z+1/2'\n122 'x+1/2, y, -z+1/2'\n123 'x+1/2, -y, z+1/2'\n124 '-x+1/2, y, z+1/2'\n125 '-z+1/2, -x, -y+1/2'\n126 '-z+1/2, x, y+1/2'\n127 'z+1/2, x, -y+1/2'\n128 'z+1/2, -x, y+1/2'\n129 '-y+1/2, -z, -x+1/2'\n130 'y+1/2, -z, x+1/2'\n131 '-y+1/2, z, x+1/2'\n132 'y+1/2, z, -x+1/2'\n133 '-y+1/2, -x, z+1/2'\n134 'y+1/2, x, z+1/2'\n135 '-y+1/2, x, -z+1/2'\n136 'y+1/2, -x, -z+1/2'\n137 '-x+1/2, -z, y+1/2'\n138 'x+1/2, -z, -y+1/2'\n139 'x+1/2, z, y+1/2'\n140 '-x+1/2, z, -y+1/2'\n141 '-z+1/2, -y, x+1/2'\n142 '-z+1/2, y, -x+1/2'\n143 'z+1/2, -y, -x+1/2'\n144 'z+1/2, y, x+1/2'\n145 'x+1/2, y+1/2, z'\n146 '-x+1/2, -y+1/2, z'\n147 '-x+1/2, y+1/2, -z'\n148 'x+1/2, -y+1/2, -z'\n149 'z+1/2, x+1/2, y'\n150 'z+1/2, -x+1/2, -y'\n151 '-z+1/2, -x+1/2, y'\n152 '-z+1/2, x+1/2, -y'\n153 'y+1/2, z+1/2, x'\n154 '-y+1/2, z+1/2, -x'\n155 'y+1/2, -z+1/2, -x'\n156 '-y+1/2, -z+1/2, x'\n157 'y+1/2, x+1/2, -z'\n158 '-y+1/2, -x+1/2, -z'\n159 'y+1/2, -x+1/2, z'\n160 '-y+1/2, x+1/2, z'\n161 'x+1/2, z+1/2, -y'\n162 '-x+1/2, z+1/2, y'\n163 '-x+1/2, -z+1/2, -y'\n164 'x+1/2, -z+1/2, y'\n165 'z+1/2, y+1/2, -x'\n166 'z+1/2, -y+1/2, x'\n167 '-z+1/2, y+1/2, x'\n168 '-z+1/2, -y+1/2, -x'\n169 '-x+1/2, -y+1/2, -z'\n170 'x+1/2, y+1/2, -z'\n171 'x+1/2, -y+1/2, z'\n172 '-x+1/2, y+1/2, z'\n173 '-z+1/2, -x+1/2, -y'\n174 '-z+1/2, x+1/2, y'\n175 'z+1/2, x+1/2, -y'\n176 'z+1/2, -x+1/2, y'\n177 '-y+1/2, -z+1/2, -x'\n178 'y+1/2, -z+1/2, x'\n179 '-y+1/2, z+1/2, x'\n180 'y+1/2, z+1/2, -x'\n181 '-y+1/2, -x+1/2, z'\n182 'y+1/2, x+1/2, z'\n183 '-y+1/2, x+1/2, -z'\n184 'y+1/2, -x+1/2, -z'\n185 '-x+1/2, -z+1/2, y'\n186 'x+1/2, -z+1/2, -y'\n187 'x+1/2, z+1/2, y'\n188 '-x+1/2, z+1/2, -y'\n189 '-z+1/2, -y+1/2, x'\n190 '-z+1/2, y+1/2, -x'\n191 'z+1/2, -y+1/2, -x'\n192 'z+1/2, y+1/2, x'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nBa Ba 32 0.894851 0.894851 0.894851 1\nBa Ba 24 0.293124 0.000000 0.000000 1\nNa Na 24 0.000000 0.250000 0.250000 1\nNa Na 32 0.328951 0.328951 0.328951 1\nLi Li 4 0.000000 0.000000 0.000000 1\nN N 24 0.149745 0.000000 0.000000 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/JVASP-98225.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at U. North Carolina at Charlotte #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'P21/c'\n_symmetry_Int_Tables_number 14\n_symmetry_cell_setting monoclinic\n_cell_length_a 14.224691\n_cell_length_b 7.296352\n_cell_length_c 13.439607\n_cell_angle_alpha 90.000000\n_cell_angle_beta 113.310367\n_cell_angle_gamma 90.000000\n_cell_volume 1281.017720\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x, y+1/2, -z+1/2'\n3 '-x, -y, -z'\n4 'x, -y+1/2, z+1/2'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nK K 4 0.844917 0.125438 0.557464 1\nK K 4 0.885334 0.633868 0.359678 1\nK K 4 0.397361 0.296066 0.039071 1\nK K 4 0.345421 0.568666 0.307267 1\nBi Bi 4 0.925982 0.353570 0.822632 1\nBi Bi 4 0.116599 0.386377 0.371659 1\nBi Bi 4 0.386988 0.060897 0.271849 1\nBi Bi 4 0.580017 0.291310 0.391448 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/LAGNAL.cif", "content": "####################################################################### \r\n# \r\n# This file contains crystal structure data downloaded from the \r\n# Cambridge Structural Database (CSD) hosted by the Cambridge \r\n# Crystallographic Data Centre (CCDC).\r\n# \r\n# Full information about CCDC data access policies and citation \r\n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \r\n# \r\n# Audit and citation data items may have been added by the CCDC. \r\n# Please retain this information to preserve the provenance of \r\n# this file and to allow appropriate attribution of the data. \r\n# \r\n#######################################################################\r\n\r\ndata_III\r\n_audit_block_doi 10.5517/cc1krrbd\r\n_database_code_depnum_ccdc_archive 'CCDC 1452794'\r\nloop_\r\n_citation_id\r\n_citation_doi\r\n_citation_year\r\n1 10.1107/S2056989016002516 2016\r\n_audit_update_record \r\n;\r\n2016-02-10 deposited with the CCDC.\t2020-08-10 downloaded from the CCDC.\r\n;\r\n_publcif_datablock.id {e36841c8-0f44-4f8c-8b4e-16409682ab03}\r\n\r\n# clave Lab: Bis-Iminas IV-R\r\n# clave original: bimivr (ICUAP)\r\n# clave refinamiento: BIM-IV-R_MO (IFUAP)\r\n\r\n_database_code_CAS ?\r\n_database_code_CSD ?\r\n\r\n_audit_creation_method SHELXL-2014/7\r\n_shelx_SHELXL_version_number 2014/7\r\n_audit_creation_date 2016-01-07\r\n\r\n_chemical_name_systematic \r\n;\r\n2,5-Bis[((R)-(-)-(4-fluoro)phenylethyl)iminomethyl]thiophene\r\n;\r\n_chemical_name_common ?\r\n_chemical_melting_point 420\r\n_chemical_formula_moiety 'C22 H20 F2 N2 S'\r\n_chemical_formula_sum 'C22 H20 F2 N2 S'\r\n_chemical_formula_weight 382.46\r\n_chemical_compound_source ?\r\n_chemical_absolute_configuration ad\r\n\r\n_chemical_optical_rotation '[\\a]^20^~D~ = -542.5 (c=1, CHCl~3~)'\r\n\r\n_chemical_properties_physical ?\r\n_chemical_properties_biological ?\r\nloop_\r\n_atom_type_symbol\r\n_atom_type_description\r\n_atom_type_scat_dispersion_real\r\n_atom_type_scat_dispersion_imag\r\n_atom_type_scat_source\r\nC C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nH H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nF F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nN N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nS S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\n\r\n_space_group_crystal_system orthorhombic\r\n_space_group_IT_number 18\r\n_space_group_name_H-M_alt 'P 21 21 2'\r\n_space_group_name_Hall 'P 2 2ab'\r\n\r\n_shelx_space_group_comment ?\r\n\r\nloop_\r\n_space_group_symop_operation_xyz\r\n'x, y, z'\r\n'-x, -y, z'\r\n'x+1/2, -y+1/2, -z'\r\n'-x+1/2, y+1/2, -z'\r\n\r\n_cell_length_a 21.1153(16)\r\n_cell_length_b 7.7846(6)\r\n_cell_length_c 6.1343(5)\r\n_cell_angle_alpha 90\r\n_cell_angle_beta 90\r\n_cell_angle_gamma 90\r\n_cell_volume 1008.32(14)\r\n_cell_formula_units_Z 2\r\n_cell_measurement_temperature 298(2)\r\n_cell_measurement_reflns_used 2744\r\n_cell_measurement_theta_max 23.1870\r\n_cell_measurement_theta_min 3.8190\r\n\r\n_exptl_crystal_description prism\r\n_exptl_crystal_colour colourless\r\n_exptl_crystal_density_meas ?\r\n_exptl_crystal_density_method ?\r\n_exptl_crystal_density_diffrn 1.260\r\n_exptl_crystal_F_000 400\r\n_exptl_transmission_factor_min ?\r\n_exptl_transmission_factor_max ?\r\n_exptl_crystal_size_max 0.8923\r\n_exptl_crystal_size_mid 0.4743\r\n_exptl_crystal_size_min 0.3253\r\n_exptl_absorpt_coefficient_mu 0.186\r\n_shelx_estimated_absorpt_T_min ?\r\n_shelx_estimated_absorpt_T_max ?\r\n_exptl_absorpt_correction_type analytical\r\n_exptl_absorpt_correction_T_min 0.904\r\n_exptl_absorpt_correction_T_max 0.958\r\n_exptl_absorpt_process_details 'CrysAlisPro, (Agilent, 2013)'\r\n\r\n_diffrn_ambient_temperature 298(2)\r\n_diffrn_ambient_environment air\r\n_diffrn_radiation_wavelength 0.71073\r\n_diffrn_radiation_type MoK\\a\r\n_diffrn_source 'Enhance (Mo) X-ray Source'\r\n_diffrn_radiation_probe x-ray\r\n_diffrn_radiation_monochromator graphite\r\n_diffrn_measurement_device 'four-circle diffractometer'\r\n_diffrn_measurement_device_type 'Agilent Xcalibur (Atlas, Gemini)'\r\n_diffrn_detector 'CCD plate'\r\n_diffrn_detector_type Atlas\r\n_diffrn_measurement_method '\\w scans'\r\n_diffrn_detector_area_resol_mean 10.5564\r\n_diffrn_reflns_number 12336\r\n_diffrn_reflns_av_unetI/netI 0.0421\r\n_diffrn_reflns_av_R_equivalents 0.0578\r\n_diffrn_reflns_limit_h_min -26\r\n_diffrn_reflns_limit_h_max 26\r\n_diffrn_reflns_limit_k_min -9\r\n_diffrn_reflns_limit_k_max 9\r\n_diffrn_reflns_limit_l_min -7\r\n_diffrn_reflns_limit_l_max 7\r\n_diffrn_reflns_theta_min 3.842\r\n_diffrn_reflns_theta_max 26.368\r\n_diffrn_reflns_theta_full 25.242\r\n_diffrn_measured_fraction_theta_max 0.996\r\n_diffrn_measured_fraction_theta_full 0.995\r\n_diffrn_reflns_Laue_measured_fraction_max 0.996\r\n_diffrn_reflns_Laue_measured_fraction_full 0.995\r\n_diffrn_reflns_point_group_measured_fraction_max 0.998\r\n_diffrn_reflns_point_group_measured_fraction_full 0.997\r\n\r\n_diffrn_orient_matrix_UB_11 -0.0295565000\r\n_diffrn_orient_matrix_UB_12 0.0379686000\r\n_diffrn_orient_matrix_UB_13 0.0263684000\r\n_diffrn_orient_matrix_UB_21 0.0141479000\r\n_diffrn_orient_matrix_UB_22 0.0825776000\r\n_diffrn_orient_matrix_UB_23 -0.0037781000\r\n_diffrn_orient_matrix_UB_31 -0.0073881000\r\n_diffrn_orient_matrix_UB_32 0.0061226000\r\n_diffrn_orient_matrix_UB_33 -0.1125503000\r\n\r\n_diffrn_measurement_details \r\n;\r\n#__ type_ start__ end____ width___ exp.time_\r\n 1 omega -60.00 -14.00 1.0000 1.0000\r\nomega____ theta____ kappa____ phi______ frames\r\n - -11.2235 -57.0000 -150.0000 46\r\n\r\n#__ type_ start__ end____ width___ exp.time_\r\n 2 omega -1.00 80.00 1.0000 1.0000\r\nomega____ theta____ kappa____ phi______ frames\r\n - 13.2548 38.0000 -180.0000 81\r\n\r\n#__ type_ start__ end____ width___ exp.time_\r\n 3 omega -100.00 -53.00 1.0000 1.0000\r\nomega____ theta____ kappa____ phi______ frames\r\n - -11.2235 178.0000 -120.0000 47\r\n\r\n#__ type_ start__ end____ width___ exp.time_\r\n 4 omega -90.00 22.00 1.0000 1.0000\r\nomega____ theta____ kappa____ phi______ frames\r\n - -11.2235 -77.0000 -30.0000 112\r\n\r\n#__ type_ start__ end____ width___ exp.time_\r\n 5 omega -25.00 55.00 1.0000 1.0000\r\nomega____ theta____ kappa____ phi______ frames\r\n - 13.2548 -99.0000 -120.0000 80\r\n\r\n#__ type_ start__ end____ width___ exp.time_\r\n 6 omega -63.00 1.00 1.0000 1.0000\r\nomega____ theta____ kappa____ phi______ frames\r\n - 13.2548 -38.0000 0.0000 64\r\n\r\n#__ type_ start__ end____ width___ exp.time_\r\n 7 omega -25.00 55.00 1.0000 1.0000\r\nomega____ theta____ kappa____ phi______ frames\r\n - 13.2548 -99.0000 150.0000 80\r\n;\r\n\r\n_reflns_number_total 2067\r\n_reflns_number_gt 1591\r\n_reflns_threshold_expression 'I > 2\\s(I)'\r\n_reflns_Friedel_coverage 0.678\r\n_reflns_Friedel_fraction_max 1.000\r\n_reflns_Friedel_fraction_full 1.000\r\n\r\n_reflns_special_details ?\r\n\r\n_computing_data_collection 'CrysAlis PRO (Agilent, 2013)'\r\n_computing_cell_refinement 'CrysAlis PRO'\r\n_computing_data_reduction 'CrysAlis PRO'\r\n_computing_structure_solution 'SHELXS-2014/7 (Sheldrick, 2015)'\r\n_computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2015)'\r\n_computing_molecular_graphics 'MERCURY (Macrae et al., 2008)'\r\n_computing_publication_material SHELXL-2014/7\r\n\r\n_refine_special_details ?\r\n\r\n_refine_ls_structure_factor_coef Fsqd\r\n_refine_ls_matrix_type full\r\n_refine_ls_weighting_scheme calc\r\n_refine_ls_weighting_details \r\n'w=1/[\\s^2^(Fo^2^)+(0.0384P)^2^+0.0613P] where P=(Fo^2^+2Fc^2^)/3'\r\n_atom_sites_solution_primary direct\r\n_atom_sites_solution_secondary difmap\r\n_atom_sites_solution_hydrogens geom\r\n_refine_ls_hydrogen_treatment constr\r\n_refine_ls_extinction_method none\r\n_refine_ls_extinction_coef .\r\n_refine_ls_abs_structure_details \r\n;\r\n Flack x determined using 518 quotients [(I+)-(I-)]/[(I+)+(I-)]\r\n (Parsons et al., 2013).\r\n;\r\n_refine_ls_abs_structure_Flack 0.07(6)\r\n_refine_ls_number_reflns 2067\r\n_refine_ls_number_parameters 124\r\n_refine_ls_number_restraints 0\r\n_refine_ls_R_factor_all 0.0704\r\n_refine_ls_R_factor_gt 0.0439\r\n_refine_ls_wR_factor_ref 0.0918\r\n_refine_ls_wR_factor_gt 0.0820\r\n_refine_ls_goodness_of_fit_ref 1.061\r\n_refine_ls_restrained_S_all 1.061\r\n_refine_ls_shift/su_max 0.000\r\n_refine_ls_shift/su_mean 0.000\r\n\r\nloop_\r\n_atom_site_label\r\n_atom_site_type_symbol\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_U_iso_or_equiv\r\n_atom_site_adp_type\r\n_atom_site_occupancy\r\n_atom_site_site_symmetry_order\r\n_atom_site_calc_flag\r\n_atom_site_refinement_flags_posn\r\n_atom_site_refinement_flags_adp\r\n_atom_site_refinement_flags_occupancy\r\n_atom_site_disorder_assembly\r\n_atom_site_disorder_group\r\nS1 S 0.5000 0.0000 1.06817(15) 0.0479(3) Uani 1 2 d S T P . .\r\nF1 F 0.85802(10) 0.3203(3) 0.5731(5) 0.1163(9) Uani 1 1 d . . . . .\r\nN1 N 0.58698(11) 0.3119(3) 1.0120(4) 0.0498(6) Uani 1 1 d . . . . .\r\nC2 C 0.56853(13) 0.2830(4) 1.2046(5) 0.0479(8) Uani 1 1 d . . . . .\r\nH2A H 0.5795 0.3610 1.3130 0.057 Uiso 1 1 calc R U . . .\r\nC3 C 0.53102(13) 0.1344(4) 1.2646(4) 0.0461(8) Uani 1 1 d . . . . .\r\nC4 C 0.51751(14) 0.0774(4) 1.4690(4) 0.0556(8) Uani 1 1 d . . . . .\r\nH4A H 0.5300 0.1342 1.5953 0.067 Uiso 1 1 calc R U . . .\r\nC5 C 0.62513(14) 0.4679(4) 0.9770(5) 0.0568(8) Uani 1 1 d . . . . .\r\nH5A H 0.6336 0.5216 1.1185 0.068 Uiso 1 1 calc R U . . .\r\nC6 C 0.58661(16) 0.5931(5) 0.8368(7) 0.0829(12) Uani 1 1 d . . . . .\r\nH6A H 0.5476 0.6200 0.9094 0.124 Uiso 1 1 calc R U . . .\r\nH6B H 0.5777 0.5412 0.6983 0.124 Uiso 1 1 calc R U . . .\r\nH6C H 0.6105 0.6967 0.8149 0.124 Uiso 1 1 calc R U . . .\r\nC7 C 0.68777(14) 0.4223(3) 0.8702(5) 0.0462(7) Uani 1 1 d . . . . .\r\nC8 C 0.74419(15) 0.4799(4) 0.9563(5) 0.0577(8) Uani 1 1 d . . . . .\r\nH8A H 0.7436 0.5427 1.0852 0.069 Uiso 1 1 calc R U . . .\r\nC9 C 0.80144(15) 0.4470(4) 0.8567(7) 0.0697(10) Uani 1 1 d . . . . .\r\nH9A H 0.8391 0.4873 0.9163 0.084 Uiso 1 1 calc R U . . .\r\nC10 C 0.80134(17) 0.3551(5) 0.6707(7) 0.0689(10) Uani 1 1 d . . . . .\r\nC11 C 0.74733(18) 0.2932(4) 0.5777(5) 0.0654(9) Uani 1 1 d . . . . .\r\nH11A H 0.7489 0.2301 0.4491 0.078 Uiso 1 1 calc R U . . .\r\nC12 C 0.69042(15) 0.3265(4) 0.6789(5) 0.0543(8) Uani 1 1 d . . . . .\r\nH12A H 0.6532 0.2843 0.6184 0.065 Uiso 1 1 calc R U . . .\r\n\r\nloop_\r\n_atom_site_aniso_label\r\n_atom_site_aniso_U_11\r\n_atom_site_aniso_U_22\r\n_atom_site_aniso_U_33\r\n_atom_site_aniso_U_23\r\n_atom_site_aniso_U_13\r\n_atom_site_aniso_U_12\r\nS1 0.0499(6) 0.0559(6) 0.0379(5) 0.000 0.000 -0.0056(6)\r\nF1 0.0687(14) 0.1167(19) 0.164(2) -0.030(2) 0.0485(15) -0.0047(14)\r\nN1 0.0452(14) 0.0502(15) 0.0540(16) -0.0028(11) 0.0032(11) -0.0082(12)\r\nC2 0.0405(16) 0.054(2) 0.0489(18) -0.0073(16) -0.0043(14) -0.0028(15)\r\nC3 0.0388(15) 0.0544(19) 0.0452(17) -0.0024(14) -0.0013(13) -0.0011(15)\r\nC4 0.056(2) 0.071(2) 0.0396(15) -0.0040(14) -0.0020(13) -0.0115(15)\r\nC5 0.0545(18) 0.0513(19) 0.0647(18) -0.0111(16) 0.0112(15) -0.0104(16)\r\nC6 0.065(2) 0.060(2) 0.123(3) 0.016(2) 0.023(2) 0.0111(19)\r\nC7 0.0468(17) 0.0403(15) 0.0514(17) 0.0001(13) 0.0002(14) -0.0063(14)\r\nC8 0.0576(19) 0.0492(17) 0.0662(19) -0.0104(18) 0.0002(16) -0.0090(17)\r\nC9 0.047(2) 0.064(2) 0.099(3) -0.007(2) -0.0023(19) -0.0114(17)\r\nC10 0.054(2) 0.058(2) 0.095(3) 0.001(2) 0.021(2) -0.0009(18)\r\nC11 0.075(2) 0.063(2) 0.0577(19) -0.0053(18) 0.011(2) 0.000(2)\r\nC12 0.0499(18) 0.0573(19) 0.0557(18) -0.0020(16) -0.0063(16) -0.0058(17)\r\n\r\n_geom_special_details ?\r\n\r\nloop_\r\n_geom_bond_atom_site_label_1\r\n_geom_bond_atom_site_label_2\r\n_geom_bond_distance\r\n_geom_bond_site_symmetry_2\r\n_geom_bond_publ_flag\r\nS1 C3 1.725(3) 2_655 ?\r\nS1 C3 1.725(3) . ?\r\nF1 C10 1.365(4) . ?\r\nN1 C2 1.264(4) . ?\r\nN1 C5 1.473(4) . ?\r\nC2 C3 1.450(4) . ?\r\nC2 H2A 0.9300 . ?\r\nC3 C4 1.360(4) . ?\r\nC4 C4 1.414(6) 2_655 ?\r\nC4 H4A 0.9300 . ?\r\nC5 C7 1.518(4) . ?\r\nC5 C6 1.533(5) . ?\r\nC5 H5A 0.9800 . ?\r\nC6 H6A 0.9600 . ?\r\nC6 H6B 0.9600 . ?\r\nC6 H6C 0.9600 . ?\r\nC7 C8 1.378(4) . ?\r\nC7 C12 1.392(4) . ?\r\nC8 C9 1.378(4) . ?\r\nC8 H8A 0.9300 . ?\r\nC9 C10 1.347(5) . ?\r\nC9 H9A 0.9300 . ?\r\nC10 C11 1.363(5) . ?\r\nC11 C12 1.377(4) . ?\r\nC11 H11A 0.9300 . ?\r\nC12 H12A 0.9300 . ?\r\n\r\nloop_\r\n_geom_angle_atom_site_label_1\r\n_geom_angle_atom_site_label_2\r\n_geom_angle_atom_site_label_3\r\n_geom_angle\r\n_geom_angle_site_symmetry_1\r\n_geom_angle_site_symmetry_3\r\n_geom_angle_publ_flag\r\nC3 S1 C3 91.4(2) 2_655 . ?\r\nC2 N1 C5 116.8(3) . . ?\r\nN1 C2 C3 123.2(3) . . ?\r\nN1 C2 H2A 118.4 . . ?\r\nC3 C2 H2A 118.4 . . ?\r\nC4 C3 C2 127.5(3) . . ?\r\nC4 C3 S1 111.5(2) . . ?\r\nC2 C3 S1 120.9(2) . . ?\r\nC3 C4 C4 112.81(18) . 2_655 ?\r\nC3 C4 H4A 123.6 . . ?\r\nC4 C4 H4A 123.6 2_655 . ?\r\nN1 C5 C7 110.3(2) . . ?\r\nN1 C5 C6 108.4(2) . . ?\r\nC7 C5 C6 111.6(2) . . ?\r\nN1 C5 H5A 108.8 . . ?\r\nC7 C5 H5A 108.8 . . ?\r\nC6 C5 H5A 108.8 . . ?\r\nC5 C6 H6A 109.5 . . ?\r\nC5 C6 H6B 109.5 . . ?\r\nH6A C6 H6B 109.5 . . ?\r\nC5 C6 H6C 109.5 . . ?\r\nH6A C6 H6C 109.5 . . ?\r\nH6B C6 H6C 109.5 . . ?\r\nC8 C7 C12 117.6(3) . . ?\r\nC8 C7 C5 120.8(3) . . ?\r\nC12 C7 C5 121.6(3) . . ?\r\nC7 C8 C9 121.9(3) . . ?\r\nC7 C8 H8A 119.1 . . ?\r\nC9 C8 H8A 119.1 . . ?\r\nC10 C9 C8 118.2(3) . . ?\r\nC10 C9 H9A 120.9 . . ?\r\nC8 C9 H9A 120.9 . . ?\r\nC9 C10 C11 122.9(3) . . ?\r\nC9 C10 F1 118.4(3) . . ?\r\nC11 C10 F1 118.7(3) . . ?\r\nC10 C11 C12 118.4(3) . . ?\r\nC10 C11 H11A 120.8 . . ?\r\nC12 C11 H11A 120.8 . . ?\r\nC11 C12 C7 121.1(3) . . ?\r\nC11 C12 H12A 119.5 . . ?\r\nC7 C12 H12A 119.5 . . ?\r\n\r\nloop_\r\n_geom_torsion_atom_site_label_1\r\n_geom_torsion_atom_site_label_2\r\n_geom_torsion_atom_site_label_3\r\n_geom_torsion_atom_site_label_4\r\n_geom_torsion\r\n_geom_torsion_site_symmetry_1\r\n_geom_torsion_site_symmetry_2\r\n_geom_torsion_site_symmetry_3\r\n_geom_torsion_site_symmetry_4\r\n_geom_torsion_publ_flag\r\nC5 N1 C2 C3 -179.6(2) . . . . ?\r\nN1 C2 C3 C4 168.6(3) . . . . ?\r\nN1 C2 C3 S1 -8.7(4) . . . . ?\r\nC3 S1 C3 C4 -0.29(16) 2_655 . . . ?\r\nC3 S1 C3 C2 177.4(3) 2_655 . . . ?\r\nC2 C3 C4 C4 -176.7(3) . . . 2_655 ?\r\nS1 C3 C4 C4 0.8(4) . . . 2_655 ?\r\nC2 N1 C5 C7 124.5(3) . . . . ?\r\nC2 N1 C5 C6 -113.0(3) . . . . ?\r\nN1 C5 C7 C8 -129.0(3) . . . . ?\r\nC6 C5 C7 C8 110.4(3) . . . . ?\r\nN1 C5 C7 C12 53.2(4) . . . . ?\r\nC6 C5 C7 C12 -67.4(4) . . . . ?\r\nC12 C7 C8 C9 1.0(5) . . . . ?\r\nC5 C7 C8 C9 -176.9(3) . . . . ?\r\nC7 C8 C9 C10 -0.4(5) . . . . ?\r\nC8 C9 C10 C11 -0.2(5) . . . . ?\r\nC8 C9 C10 F1 -179.1(3) . . . . ?\r\nC9 C10 C11 C12 0.0(6) . . . . ?\r\nF1 C10 C11 C12 179.0(3) . . . . ?\r\nC10 C11 C12 C7 0.6(5) . . . . ?\r\nC8 C7 C12 C11 -1.1(4) . . . . ?\r\nC5 C7 C12 C11 176.7(3) . . . . ?\r\n\r\n_refine_diff_density_max 0.149\r\n_refine_diff_density_min -0.249\r\n_refine_diff_density_rms 0.038\r\n\r\n_shelx_res_file \r\n;\r\n\r\n BIM-IV-R_MO.res created by SHELXL-2014/7\r\n\r\n\r\nTITL BIM-IV-R_MO in P21212 #18\r\nREM reset to P21212 #18\r\nCELL 0.71073 21.1153 7.7846 6.1343 90 90 90\r\nZERR 2 0.0016 0.0006 0.0005 0 0 0\r\nLATT -1\r\nSYMM -X,-Y,+Z\r\nSYMM 0.5+X,0.5-Y,-Z\r\nSYMM 0.5-X,0.5+Y,-Z\r\nSFAC C H F N S\r\nUNIT 44 40 4 4 2\r\n\r\nOMIT 1 0 1\r\nOMIT 0 0 1\r\nOMIT 2 1 0\r\n\r\nACTA\r\n\r\nL.S. 12\r\n\r\nBOND $H\r\nCONF\r\n\r\nFMAP 2\r\nPLAN 15\r\n\r\nWGHT 0.038400 0.061300\r\nFVAR 11.02408\r\nS1 5 0.500000 0.000000 1.068167 10.50000 0.04993 0.05588 =\r\n 0.03792 0.00000 0.00000 -0.00556\r\nF1 3 0.858016 0.320337 0.573105 11.00000 0.06868 0.11669 =\r\n 0.16362 -0.03014 0.04849 -0.00469\r\nN1 4 0.586978 0.311885 1.012008 11.00000 0.04521 0.05016 =\r\n 0.05399 -0.00282 0.00324 -0.00819\r\nC2 1 0.568525 0.283027 1.204566 11.00000 0.04045 0.05436 =\r\n 0.04890 -0.00726 -0.00435 -0.00280\r\nAFIX 43\r\nH2A 2 0.579544 0.360959 1.313033 11.00000 -1.20000\r\nAFIX 0\r\nC3 1 0.531019 0.134367 1.264617 11.00000 0.03878 0.05440 =\r\n 0.04520 -0.00239 -0.00127 -0.00111\r\nC4 1 0.517507 0.077394 1.469024 11.00000 0.05600 0.07117 =\r\n 0.03957 -0.00405 -0.00204 -0.01152\r\nAFIX 43\r\nH4A 2 0.529973 0.134205 1.595299 11.00000 -1.20000\r\nAFIX 0\r\nC5 1 0.625129 0.467931 0.977008 11.00000 0.05445 0.05126 =\r\n 0.06472 -0.01110 0.01119 -0.01045\r\nAFIX 13\r\nH5A 2 0.633617 0.521634 1.118516 11.00000 -1.20000\r\nAFIX 0\r\nC6 1 0.586614 0.593148 0.836801 11.00000 0.06514 0.06016 =\r\n 0.12337 0.01586 0.02303 0.01107\r\nAFIX 137\r\nH6A 2 0.547578 0.619981 0.909444 11.00000 -1.50000\r\nH6B 2 0.577652 0.541203 0.698258 11.00000 -1.50000\r\nH6C 2 0.610499 0.696654 0.814923 11.00000 -1.50000\r\nAFIX 0\r\nC7 1 0.687770 0.422324 0.870220 11.00000 0.04681 0.04032 =\r\n 0.05138 0.00010 0.00022 -0.00631\r\nC8 1 0.744187 0.479883 0.956277 11.00000 0.05760 0.04920 =\r\n 0.06625 -0.01036 0.00019 -0.00901\r\nAFIX 43\r\nH8A 2 0.743621 0.542688 1.085227 11.00000 -1.20000\r\nAFIX 0\r\nC9 1 0.801439 0.447035 0.856703 11.00000 0.04691 0.06382 =\r\n 0.09850 -0.00688 -0.00229 -0.01139\r\nAFIX 43\r\nH9A 2 0.839117 0.487273 0.916337 11.00000 -1.20000\r\nAFIX 0\r\nC10 1 0.801342 0.355078 0.670680 11.00000 0.05383 0.05770 =\r\n 0.09504 0.00058 0.02089 -0.00091\r\nC11 1 0.747330 0.293209 0.577684 11.00000 0.07542 0.06290 =\r\n 0.05775 -0.00530 0.01136 0.00015\r\nAFIX 43\r\nH11A 2 0.748873 0.230086 0.449078 11.00000 -1.20000\r\nAFIX 0\r\nC12 1 0.690416 0.326497 0.678899 11.00000 0.04991 0.05729 =\r\n 0.05567 -0.00200 -0.00625 -0.00575\r\nAFIX 43\r\nH12A 2 0.653151 0.284258 0.618422 11.00000 -1.20000\r\n\r\nAFIX 0\r\nHKLF 4\r\n\r\nREM BIM-IV-R_MO in P21212 #18\r\nREM R1 = 0.0439 for 1591 Fo > 4sig(Fo) and 0.0704 for all 2067 data\r\nREM 124 parameters refined using 0 restraints\r\n\r\nEND\r\n\r\nWGHT 0.0378 0.0621\r\n\r\nREM Highest difference peak 0.149, deepest hole -0.249, 1-sigma level 0.038\r\nQ1 1 0.5000 0.0000 0.7900 10.50000 0.05 0.15\r\nQ2 1 0.5000 0.5000 1.2515 10.50000 0.05 0.14\r\nQ3 1 0.5395 0.6393 1.1882 11.00000 0.05 0.13\r\nQ4 1 0.8320 0.3653 0.4237 11.00000 0.05 0.13\r\nQ5 1 0.5572 -0.0226 1.8101 11.00000 0.05 0.12\r\nQ6 1 0.5994 0.2743 1.1107 11.00000 0.05 0.12\r\nQ7 1 0.5706 0.7959 0.9902 11.00000 0.05 0.11\r\nQ8 1 0.8327 0.4371 1.0937 11.00000 0.05 0.11\r\nQ9 1 0.5609 0.0622 1.5638 11.00000 0.05 0.11\r\nQ10 1 0.7514 0.1299 0.5004 11.00000 0.05 0.11\r\nQ11 1 0.7194 0.6138 1.1183 11.00000 0.05 0.11\r\nQ12 1 0.8127 0.4799 0.4204 11.00000 0.05 0.11\r\nQ13 1 0.6340 0.2493 0.4688 11.00000 0.05 0.10\r\nQ14 1 0.5492 0.5294 1.3019 11.00000 0.05 0.10\r\nQ15 1 0.5415 0.0616 1.3461 11.00000 0.05 0.10\r\n;\r\n_shelx_res_checksum 63132\r\n\r\n_shelx_hkl_file \r\n;\r\n 0 0 -1-0.63875 3541.28 7\r\n 0 0 1 1732.69 2658.21 2\r\n 0 0 -1 10031.1 3408.11 5\r\n 0 0 -2 229323. 4390.98 7\r\n 0 0 2 230256. 3210.95 2\r\n 0 0 -3 13151.2 1320.89 5\r\n 0 0 -3 15234.9 1481.96 7\r\n 0 0 3 15321.7 1378.22 5\r\n 0 0 3 13980.7 1023.89 2\r\n 0 0 4 2463.55 961.690 3\r\n 0 0 4 2296.18 697.949 4\r\n 0 0 -4 1580.90 708.096 5\r\n 0 0 4 1990.28 776.153 5\r\n 0 0 -4 1903.01 775.080 7\r\n 0 0 4 3066.26 880.414 7\r\n 0 0 4 2707.79 586.409 2\r\n 0 0 4 2722.26 641.580 1\r\n 0 0 -5 844.596 971.088 5\r\n 0 0 5 40.3117 436.008 2\r\n 0 0 -5 464.044 848.094 7\r\n 0 0 5-90.6999 651.568 1\r\n 0 0 5 279.731 763.283 4\r\n 0 0 6-188.035 744.357 4\r\n 0 0 6 1090.68 369.941 2\r\n 0 0 6 88.9819 599.335 1\r\n 0 0 -6-159.188 672.266 5\r\n 0 0 7-863.469 914.019 4\r\n 0 0 7 132.924 638.884 1\r\n 0 0 -7 416.182 1070.50 5\r\n 0 -1 -1 942576. 4476.71 2\r\n 0 1 1 933420. 4230.23 6\r\n 0 1 2 113219. 1926.35 2\r\n 0 -1 -2 113667. 2042.31 2\r\n 0 1 -2 111747. 2749.79 5\r\n 0 -1 -2 100943. 3042.47 5\r\n 0 -1 -2 100387. 3031.96 7\r\n 0 1 2 111952. 2206.00 4\r\n 0 1 -2 112927. 3044.48 7\r\n 0 -1 2 110661. 2764.15 5\r\n 0 1 3 165459. 3524.85 4\r\n 0 -1 3 162207. 3890.34 2\r\n 0 -1 -3 164397. 3047.91 2\r\n 0 1 -3 165696. 4232.66 5\r\n 0 -1 3 167045. 4489.38 7\r\n 0 1 3 173405. 3986.54 1\r\n 0 1 -3 166803. 4665.83 7\r\n 0 1 3 172699. 2989.26 2\r\n 0 -1 3 167792. 4298.54 5\r\n 0 -1 -3 170917. 4788.25 7\r\n 0 -1 -3 167040. 4678.06 5\r\n 0 1 4 29536.2 2853.73 3\r\n 0 1 4 24951.6 1811.97 1\r\n 0 1 -4 25078.0 2226.56 7\r\n 0 1 -4 22375.2 1904.03 5\r\n 0 -1 4 27159.8 2208.06 7\r\n 0 1 4 22239.0 1277.49 2\r\n 0 1 4 26066.3 1730.21 4\r\n 0 -1 -4 27444.0 2320.25 7\r\n 0 -1 -4 24288.1 2160.84 5\r\n 0 -1 4 26100.4 2116.79 5\r\n 0 -1 4 22788.7 1671.12 2\r\n 0 1 4 27222.2 2212.67 5\r\n 0 1 -5 16313.2 2097.40 7\r\n 0 -1 5 17829.3 1444.41 1\r\n 0 1 5 15649.6 1626.82 4\r\n 0 1 5 17901.7 1815.63 1\r\n 0 1 -5 14036.8 1840.38 5\r\n 0 -1 -5 16919.9 2103.74 5\r\n 0 -1 5 15784.1 1593.54 2\r\n 0 1 5 15723.2 1233.36 2\r\n 0 1 6 709.694 695.952 4\r\n 0 -1 6 135.148 494.375 2\r\n 0 1 -6-2119.09 1255.40 7\r\n 0 -1 -6 1320.80 1150.84 5\r\n 0 -1 6 25.6182 751.289 6\r\n 0 1 6-264.504 352.218 2\r\n 0 -1 6 70.0055 528.218 1\r\n 0 -1 6 649.930 744.278 4\r\n 0 1 6 245.888 737.162 1\r\n 0 1 -7 1688.77 1270.45 7\r\n 0 -1 -7 1309.30 1288.74 5\r\n 0 -1 7 761.692 1088.89 4\r\n 0 1 7 1197.56 797.174 1\r\n 0 1 7 782.190 847.953 4\r\n 0 -2 0 47781.1 1435.52 1\r\n 0 2 1 642521. 5572.15 6\r\n 0 -2 -1 657128. 5535.11 6\r\n 0 -2 1 696869. 4012.68 1\r\n 0 2 1 688282. 4613.20 4\r\n 0 2 -1 719494. 5712.09 7\r\n 0 -2 -1 688720. 4135.00 4\r\n 0 -2 -1 706200. 6749.09 5\r\n 0 2 2 93686.2 1624.50 4\r\n 0 -2 2 101704. 2756.57 7\r\n 0 -2 2 97437.4 2585.88 5\r\n 0 -2 -2 94903.4 1755.22 4\r\n 0 2 -2 87653.5 2778.79 7\r\n 0 2 2 94905.8 1894.79 6\r\n 0 -2 -2 95705.8 3157.03 5\r\n 0 2 2 102299. 3155.53 3\r\n 0 -2 -2 92443.4 2047.12 2\r\n 0 -2 -3 5224.96 1084.55 5\r\n 0 2 3 4730.85 444.133 6\r\n 0 -2 -3 4992.08 604.305 2\r\n 0 -2 3 5237.81 874.678 7\r\n 0 2 3 4109.40 534.399 4\r\n 0 -2 3 3924.91 772.472 5\r\n 0 2 3 6782.27 1131.65 3\r\n 0 2 3 5486.65 922.317 1\r\n 0 2 -3 3737.37 888.261 7\r\n 0 -2 -4 1530.81 379.217 2\r\n 0 2 4-100.481 422.842 3\r\n 0 -2 4 1733.15 659.456 7\r\n 0 2 4 1924.46 712.558 1\r\n 0 -2 4 2326.28 703.544 5\r\n 0 -2 -4 1755.32 756.506 5\r\n 0 2 4 1051.73 238.049 6\r\n 0 -2 4 1558.79 684.092 2\r\n 0 2 -4 1896.71 742.431 7\r\n 0 2 4 1588.80 466.279 4\r\n 0 -2 -5 18906.2 2255.20 5\r\n 0 2 5 22797.4 1695.44 4\r\n 0 -2 5 19109.0 1902.89 2\r\n 0 -2 5 19787.1 1249.44 1\r\n 0 2 5 20790.8 2083.93 1\r\n 0 2 5 18212.3 694.729 6\r\n 0 2 5 17917.4 696.478 6\r\n 0 2 -5 20112.2 2344.08 7\r\n 0 -2 5 14192.9 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2\r\n -2 -3 5 2080.84 766.480 5\r\n 2 3 5 1971.71 647.443 4\r\n 2 -3 -5 1533.38 956.925 5\r\n -2 3 -5 1714.16 924.586 7\r\n 2 3 5 2689.97 917.331 1\r\n 2 -3 -5 2291.06 629.676 2\r\n 2 -3 -6 2223.34 1199.26 5\r\n -2 -3 6 3154.85 1118.04 2\r\n 2 3 6 840.571 802.905 1\r\n -2 3 -6 3542.34 996.382 7\r\n 2 3 6 1177.21 661.714 4\r\n -2 3 -7 26.8464 1258.81 7\r\n 2 -3 -7 518.841 1166.53 5\r\n 2 3 7 206.670 1077.55 1\r\n -2 -3 7 2346.62 880.666 2\r\n 2 -4 6-582.790 740.375 2\r\n -2 4 6 1180.89 962.438 1\r\n -2 -4 -6-5.21717 928.249 5\r\n 2 4 -6 436.914 1028.29 7\r\n -2 -4 -5 3197.90 1198.55 5\r\n 2 4 -5 3119.42 1163.67 7\r\n -2 4 5 1968.65 1007.84 1\r\n 2 -4 5 2388.95 300.016 1\r\n -2 4 5 2141.88 441.649 6\r\n 2 -4 4 3659.79 869.089 5\r\n -2 4 4 4614.53 1044.66 3\r\n -2 -4 -4 4242.68 620.101 2\r\n -2 4 4 4555.95 1119.86 1\r\n 2 4 -4 2599.06 1025.04 7\r\n 2 -4 4 4466.01 1013.18 7\r\n -2 -4 -4 4119.07 1319.05 5\r\n 2 -4 4 3868.77 437.523 1\r\n -2 4 4 3538.28 617.722 6\r\n -2 -4 -3 8751.68 1416.51 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372.619 5\r\n -2 4 0 131.220 346.144 1\r\n -2 -4 0-5.28769 399.379 4\r\n 2 4 0 304.121 350.121 1\r\n -2 -4 0 18.6007 479.438 6\r\n 2 -4 -1 12729.4 1007.05 4\r\n 2 -4 -1 12233.7 1319.79 6\r\n 2 4 1 11033.5 1243.50 1\r\n -2 4 -1 13341.1 959.687 7\r\n 2 -4 -1 12670.8 1248.79 1\r\n 2 -4 -1 12924.2 1315.29 5\r\n 2 4 2 59.5170 432.568 5\r\n 2 -4 -2-48.1978 530.284 5\r\n 2 4 2 324.553 351.714 4\r\n 2 -4 -2 277.570 349.446 6\r\n -2 4 -2 47.8156 367.223 7\r\n 2 -4 -2 239.201 126.309 4\r\n 2 -4 -3 6864.13 1338.06 5\r\n 2 -4 -3 8632.79 1042.13 2\r\n 2 4 3 8453.43 1329.07 1\r\n -2 -4 3 8510.05 1004.31 5\r\n -2 4 -3 8302.49 1183.18 7\r\n 2 4 3 8647.46 837.831 4\r\n 2 -4 -4 2830.73 692.620 2\r\n 2 4 4 3809.92 1087.97 1\r\n -2 -4 4 4288.33 907.244 5\r\n -2 4 -4 3074.63 902.220 7\r\n 2 4 4 4034.70 948.739 3\r\n 2 4 4 3144.64 533.971 4\r\n 2 -4 -4 3497.14 1074.84 5\r\n -2 -4 5 1095.40 857.531 2\r\n 2 4 5 1244.32 694.645 3\r\n -2 4 -5 4586.59 1190.93 7\r\n -2 -4 5 2623.77 1003.41 5\r\n 2 -4 -5 631.903 577.219 2\r\n 2 4 5 3282.58 591.836 4\r\n 2 -4 -5 3309.47 1180.32 5\r\n 2 4 5 2721.33 1227.57 1\r\n 2 -4 -6 2044.22 892.069 5\r\n -2 4 -6 54.1348 977.493 7\r\n -2 -4 6 17.5583 668.080 2\r\n 2 -5 6 1839.98 787.217 2\r\n -2 -5 -6 101.595 841.918 5\r\n -2 5 6-525.346 1126.54 1\r\n 2 5 -6-1003.93 1186.37 7\r\n -2 5 5-454.745 827.846 1\r\n 2 5 -5-1268.07 838.847 7\r\n 2 -5 4 9463.94 1496.62 5\r\n -2 -5 -4 11767.8 1159.15 2\r\n 2 -5 4 9309.14 647.799 1\r\n -2 -5 -4 8857.10 1722.26 5\r\n 2 5 -4 9134.36 1557.06 7\r\n -2 5 4 9644.68 1292.99 3\r\n -2 5 4 8842.12 1615.95 1\r\n -2 5 3 3627.79 822.817 6\r\n -2 5 3 3595.10 616.799 3\r\n -2 5 3 2846.45 1060.03 1\r\n -2 -5 -3 3022.07 622.837 6\r\n 2 5 -3 3132.46 928.529 7\r\n -2 -5 -3 2424.54 964.068 5\r\n 2 -5 3 3149.71 1053.25 3\r\n 2 -5 3 2573.24 444.712 1\r\n -2 -5 -3 3424.97 608.846 4\r\n -2 5 3 2129.56 888.092 7\r\n -2 -5 -2 21654.1 1730.16 6\r\n -2 5 2 21160.4 2013.95 1\r\n -2 -5 -2 18410.1 1887.13 5\r\n 2 5 -2 20205.0 1733.14 7\r\n -2 5 2 20767.6 1842.89 6\r\n -2 -5 -2 22459.2 1451.56 4\r\n 2 -5 2 20946.0 1341.64 1\r\n 2 -5 2 18581.8 2031.66 3\r\n 2 -5 1 7196.75 928.054 3\r\n 2 -5 1 8954.47 1465.19 6\r\n -2 -5 -1 6988.41 933.519 4\r\n -2 -5 -1 6687.67 1121.86 6\r\n -2 -5 -1 7127.74 1092.39 5\r\n -2 5 1 7514.88 1155.97 1\r\n 2 5 -1 6772.99 826.840 1\r\n 2 -5 1 5885.60 863.948 1\r\n 2 -5 0 4254.87 931.395 6\r\n -2 -5 0 4602.29 725.381 5\r\n -2 -5 0 5335.63 964.810 4\r\n 2 -5 0 4830.68 791.683 1\r\n -2 5 0 4777.49 814.155 1\r\n 2 5 0 3735.79 725.469 1\r\n -2 -5 0 4538.70 1022.25 6\r\n -2 -5 1 7646.53 1345.14 6\r\n 2 -5 -1 6637.41 1043.67 5\r\n 2 -5 -1 6574.63 873.164 4\r\n 2 5 1 7838.65 1138.85 1\r\n 2 -5 -1 7275.44 1206.83 6\r\n -2 5 -1 7095.48 828.572 7\r\n 2 -5 -2 22812.2 2084.58 5\r\n 2 -5 -2 21148.0 1023.87 4\r\n 2 -5 -2 21399.0 1851.00 6\r\n -2 5 -2 21926.0 1593.36 7\r\n 2 5 2 21922.0 2019.05 1\r\n -2 5 -3 3212.53 900.997 7\r\n 2 -5 -3 3831.56 1147.96 5\r\n -2 -5 3 2755.94 716.192 5\r\n 2 -5 -3 2690.15 687.878 6\r\n 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992.314 1\r\n -3 3 5 1093.18 257.170 4\r\n 3 -3 5 1052.39 952.776 4\r\n -3 3 5 1181.21 403.057 6\r\n -3 3 5 1285.79 264.192 4\r\n 3 3 -5 1078.30 786.550 7\r\n -3 -3 -4 866.355 167.277 2\r\n 3 -3 4 1144.33 634.072 5\r\n -3 -3 -4 1009.20 781.846 5\r\n 3 -3 4 2039.76 801.829 7\r\n -3 3 4 563.355 449.900 6\r\n -3 3 4 1202.87 684.665 1\r\n -3 3 4 6.93921 795.674 3\r\n 3 -3 4 1219.96 801.414 6\r\n 3 3 -4 760.608 674.349 7\r\n -3 -3 -3 1631.11 330.724 2\r\n 3 3 -3 1756.31 764.362 7\r\n 3 -3 3 1370.74 639.924 5\r\n 3 -3 3 716.311 706.101 3\r\n -3 3 3 905.904 585.400 7\r\n 3 -3 3 1638.74 671.744 6\r\n -3 -3 -3 1455.08 739.663 5\r\n 3 -3 3 1205.81 573.474 7\r\n -3 3 3 1332.71 629.243 1\r\n -3 -3 -3 1790.59 457.778 4\r\n -3 3 3 1456.29 487.302 6\r\n -3 -3 -2 110004. 3467.66 3\r\n -3 3 2 114697. 3521.28 7\r\n 3 -3 2 112809. 4357.51 3\r\n -3 3 2 114014. 3292.67 6\r\n 3 3 -2 118665. 3536.52 7\r\n 3 -3 2 121217. 2843.12 7\r\n 3 -3 2 117171. 4111.40 6\r\n -3 -3 -2 108537. 2754.96 4\r\n -3 -3 -2 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1696.53 652.383 3\r\n 3 3 3 1624.29 468.218 4\r\n -3 -3 3 1419.12 461.955 5\r\n -3 3 -3 1342.03 566.683 7\r\n 3 -3 -4 911.515 800.029 5\r\n 3 3 4 819.853 419.518 3\r\n 3 -3 -4 1220.82 534.775 2\r\n -3 -3 4 873.427 531.221 5\r\n -3 3 -4 1200.69 727.922 7\r\n 3 3 4 1301.88 514.517 4\r\n -3 -3 4 342.203 640.173 2\r\n -3 3 -5-103.190 713.185 7\r\n 3 3 5 1684.83 863.605 1\r\n 3 -3 -5 8.30647 655.863 2\r\n -3 -3 5 1151.74 613.299 2\r\n -3 -3 5-838.270 734.524 5\r\n 3 3 5 1275.14 598.518 4\r\n 3 -3 -5 1340.03 977.912 5\r\n -3 3 -6 1680.65 963.371 7\r\n 3 -3 -6 4133.07 1318.84 5\r\n 3 3 6 3352.89 1193.17 1\r\n -3 -3 6 2941.38 1207.75 2\r\n 3 3 6 2159.10 821.845 4\r\n 3 -3 -7 3571.07 1496.64 5\r\n 3 3 7 3828.63 1252.67 1\r\n -3 3 -7 2246.86 1123.93 7\r\n -3 -3 7 5089.13 1223.49 2\r\n -3 -4 -6 1764.60 1215.52 5\r\n -3 4 6 6805.08 1526.33 1\r\n 3 -4 6 4683.46 1200.31 2\r\n 3 -4 6 6934.57 1837.32 4\r\n 3 4 -6 5609.37 1468.29 7\r\n -3 4 5 2904.75 615.811 6\r\n -3 4 5 4698.35 1273.34 1\r\n -3 4 5 3442.51 1020.76 3\r\n 3 4 -5 3660.09 1348.56 7\r\n -3 -4 -5 5913.81 1562.45 5\r\n 3 -4 4 10579.3 1583.66 5\r\n -3 -4 -4 12251.7 1149.50 4\r\n 3 4 -4 10517.6 1636.05 7\r\n -3 4 4 10984.7 1651.01 1\r\n -3 4 4 11305.9 1161.67 6\r\n -3 -4 -4 11639.9 847.736 2\r\n -3 4 4 10585.4 1547.00 3\r\n -3 -4 -4 10842.6 1744.46 5\r\n 3 -4 4 12035.4 1494.16 7\r\n -3 4 3 24432.9 2129.88 1\r\n -3 -4 -3 24478.8 1314.53 2\r\n -3 -4 -3 22498.2 1423.71 4\r\n 3 -4 3 23548.5 1226.96 1\r\n -3 4 3 21838.7 1884.25 3\r\n -3 -4 -3 22509.5 2185.82 5\r\n 3 -4 3 26497.3 2653.24 3\r\n 3 -4 3 26172.2 2532.81 6\r\n -3 -4 -3 23801.0 1198.16 6\r\n 3 4 -3 22006.0 1998.83 7\r\n -3 4 3 24679.0 2083.79 7\r\n 3 -4 3 24810.4 1759.74 7\r\n -3 4 3 23540.9 1717.19 6\r\n -3 -4 -2 6061.90 1051.67 5\r\n 3 -4 2 5389.63 662.162 1\r\n 3 -4 2 6609.64 1262.59 6\r\n -3 4 2 6704.10 969.929 7\r\n -3 4 2 4571.63 874.158 6\r\n -3 -4 -2 5811.10 738.807 4\r\n -3 -4 -2 6862.49 855.125 6\r\n 3 4 -2 5233.27 913.067 7\r\n 3 -4 2 8560.77 1308.10 3\r\n 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5\r\n 3 -4 -4 11618.1 1979.12 5\r\n 3 -4 -4 11171.7 1307.28 2\r\n -3 -4 4 8814.84 1600.72 2\r\n -3 4 -4 11726.7 1561.58 7\r\n 3 4 4 11194.7 1084.89 4\r\n 3 4 4 9605.97 1609.75 1\r\n -3 -4 4 12900.4 1346.71 5\r\n 3 4 5 6521.24 1344.54 3\r\n -3 -4 5 4871.55 1341.66 2\r\n 3 -4 -5 5508.45 1533.02 5\r\n 3 -4 -5 5598.97 1052.50 2\r\n -3 -4 5 3350.41 889.336 5\r\n 3 4 5 3628.60 1199.51 1\r\n -3 4 -5 4841.37 1301.91 7\r\n 3 4 5 6137.00 887.364 4\r\n -3 -4 6 5859.79 1511.47 2\r\n 3 4 6 6612.87 1542.04 1\r\n 3 -4 -6 5902.89 1531.00 5\r\n -3 4 -6 4110.30 1325.27 7\r\n 3 5 -6 860.853 994.149 7\r\n -3 -5 -6 2169.35 868.731 5\r\n 3 -5 6 1196.02 1127.28 4\r\n -3 5 6 1064.60 1149.29 1\r\n -3 -5 -5 2117.69 1011.07 5\r\n -3 5 5-436.704 826.636 1\r\n 3 5 -5 2092.54 869.200 7\r\n 3 -5 4 4161.31 533.394 1\r\n -3 5 4 4720.56 1226.55 1\r\n -3 -5 -4 3832.24 1194.64 5\r\n -3 -5 -4 4283.31 696.960 4\r\n -3 5 4 3233.52 935.926 3\r\n -3 -5 -4 3797.70 686.952 2\r\n 3 5 -4 5090.37 1131.39 7\r\n -3 5 4 3228.41 738.484 6\r\n 3 -5 3 17050.3 2205.97 3\r\n -3 5 3 14952.5 1243.10 3\r\n 3 -5 3 13393.3 1054.11 1\r\n -3 -5 -3 16920.8 1307.23 4\r\n -3 5 3 14268.2 1571.02 6\r\n -3 -5 -3 15885.0 1265.90 6\r\n -3 5 3 16433.7 1925.47 1\r\n -3 5 3 15854.5 1785.50 7\r\n 3 5 -3 14520.3 1738.76 7\r\n -3 -5 -3 14725.7 1866.73 5\r\n 3 -5 2 8760.44 941.585 1\r\n -3 5 2 10165.0 1263.29 7\r\n -3 -5 -2 8636.60 1364.94 5\r\n -3 5 2 9715.72 1448.24 1\r\n -3 -5 -2 9642.29 1044.76 4\r\n -3 -5 -2 9832.46 1183.87 6\r\n 3 -5 2 9042.92 1458.92 3\r\n 3 5 -2 11414.4 1368.77 7\r\n -3 5 2 11044.2 1409.79 6\r\n 3 5 -1 27649.2 1546.16 1\r\n -3 5 1 28306.7 2053.13 1\r\n -3 5 1 28563.4 2265.09 6\r\n 3 -5 1 26486.6 1728.65 1\r\n -3 -5 -1 27800.1 1848.23 4\r\n 3 -5 1 25813.7 1755.82 3\r\n -3 -5 -1 29561.3 2016.26 5\r\n 3 -5 1 32793.8 2669.97 6\r\n -3 -5 -1 24767.7 971.043 3\r\n -3 -5 -1 28016.3 2159.05 6\r\n -3 -5 0 394.633 287.913 5\r\n 3 5 0 539.320 466.250 1\r\n -3 5 0 516.422 461.388 1\r\n -3 -5 0 1234.10 527.660 4\r\n 3 -5 0 630.699 598.642 6\r\n -3 -5 0 566.027 530.053 6\r\n 3 -5 0 926.931 540.877 1\r\n -3 -5 1 30318.3 2494.77 4\r\n 3 -5 -1 29933.6 2312.66 6\r\n -3 5 -1 27855.7 1444.66 7\r\n 3 -5 -1 28817.1 1748.58 4\r\n 3 5 1 29429.5 2075.09 1\r\n -3 -5 1 28163.3 1462.23 5\r\n 3 -5 -1 26466.9 2021.35 1\r\n 3 -5 -1 28698.3 2091.44 5\r\n 3 -5 -2 8133.99 1205.39 6\r\n -3 5 -2 8839.48 1006.62 7\r\n 3 -5 -2 9456.98 622.674 4\r\n 3 5 2 9191.81 1404.15 1\r\n 3 -5 -2 8743.69 1401.51 5\r\n 3 -5 -3 14811.5 1493.07 2\r\n -3 -5 3 14904.6 1242.20 5\r\n -3 5 -3 14967.5 1547.74 7\r\n 3 5 3 16739.7 1988.10 1\r\n 3 -5 -3 14515.8 1835.19 5\r\n 3 5 3 13063.4 1352.55 4\r\n -3 -5 4 3322.50 778.581 5\r\n 3 5 4 4212.06 776.526 4\r\n -3 5 -4 3518.20 999.292 7\r\n 3 -5 -4 4306.94 958.206 2\r\n 3 5 4 4789.44 1289.56 1\r\n 3 -5 -4 3656.15 1245.38 5\r\n 3 -5 -5 1441.22 1018.10 5\r\n -3 5 -5-139.068 789.705 7\r\n -3 -5 5 1473.04 656.813 2\r\n 3 5 5 1033.61 851.982 1\r\n -3 5 -6 366.643 560.841 7\r\n 3 5 6 1352.49 1018.92 1\r\n -3 -5 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790.975 1\r\n 3 7 -2 146.377 702.733 7\r\n 3 -7 2 1910.09 607.844 1\r\n -3 -7 -1 6004.82 1213.68 5\r\n 3 7 -1 6378.69 1034.76 1\r\n -3 7 1 6134.71 1255.95 1\r\n -3 -7 -1 6947.75 1214.88 4\r\n -3 -7 0 1720.62 747.462 5\r\n 3 7 0 1720.78 727.211 1\r\n -3 7 0 1797.29 755.765 1\r\n 3 7 1 6759.65 1389.79 1\r\n 3 -7 -1 4859.08 1151.66 5\r\n -3 -7 1 6647.17 1029.76 5\r\n -3 -7 1 6464.75 1055.57 3\r\n 3 -7 -1 6132.39 1114.50 4\r\n -3 7 -1 7652.85 1015.53 7\r\n 3 -7 -2-923.145 658.139 5\r\n 3 7 2 660.104 702.891 1\r\n -3 7 -2 1.93102 495.702 7\r\n -3 -7 2-968.450 449.896 5\r\n -3 -7 2-1701.63 933.502 3\r\n 3 -7 -3 357.972 703.156 5\r\n 3 7 3 85.0089 783.839 1\r\n -3 7 -3 1730.29 746.910 7\r\n 3 7 4-400.922 1089.60 1\r\n -3 7 -4-150.809 586.773 7\r\n 3 -7 -4 1062.85 703.079 5\r\n 3 7 5-1250.05 1195.58 1\r\n 3 -7 -5 2654.68 1235.54 5\r\n -3 -7 5 2564.92 1333.70 2\r\n 3 8 -4 643.548 691.239 7\r\n -3 8 4 1553.38 1013.48 1\r\n -3 -8 -4 2096.94 1253.67 5\r\n -3 -8 -3 1886.64 749.469 5\r\n -3 8 3 509.275 823.398 1\r\n 3 8 -3 415.127 946.890 7\r\n -3 -8 -2 1544.58 969.911 5\r\n -3 8 2 3217.31 1193.19 1\r\n 3 8 -2 1975.56 812.867 7\r\n -3 -8 -1 1866.87 814.072 5\r\n 3 8 -1 438.500 373.823 1\r\n -3 8 1-435.616 862.957 1\r\n 3 8 -1 162.551 697.130 7\r\n 3 8 0 376.870 542.302 1\r\n 3 -8 0 398.138 601.682 5\r\n -3 -8 0-410.320 396.347 5\r\n -3 8 -1-990.715 621.663 7\r\n 3 -8 -1 222.369 719.104 5\r\n 3 8 1 789.645 635.084 1\r\n -3 -8 1 79.8372 515.918 5\r\n -3 -8 2 2875.00 687.756 5\r\n -3 8 -2 1359.34 609.846 7\r\n 3 8 2 2738.82 1183.46 1\r\n 3 -8 -2 1661.57 1222.10 5\r\n 3 -8 -3 1852.80 1279.38 5\r\n 3 8 3-1587.85 1295.25 1\r\n 3 -8 -4-3620.07 1719.84 5\r\n 3 8 4 2571.69 1396.54 1\r\n -3 -9 -2 1741.98 1060.12 5\r\n 3 9 -2 33.9422 708.891 7\r\n -3 -9 -1 1146.31 792.300 5\r\n 3 -9 1 1413.23 788.139 5\r\n 3 9 -1 1511.89 678.967 7\r\n -3 9 1 2173.67 888.583 1\r\n 3 9 -1 2432.13 663.125 1\r\n -3 -9 0 636.596 671.009 5\r\n 3 -9 0-367.689 719.736 5\r\n 3 9 0 905.877 854.731 1\r\n 3 -9 -1 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751.939 6\r\n -4 4 4 2485.97 1028.95 1\r\n -4 -4 -3 230.756 639.168 5\r\n -4 4 3 1192.00 679.314 7\r\n 4 4 -3 846.113 619.642 7\r\n 4 -4 3-162.737 623.133 3\r\n 4 -4 3 898.413 799.100 6\r\n -4 -4 -3 564.383 359.908 4\r\n -4 -4 -3 828.915 306.021 6\r\n -4 4 3 1039.73 587.802 6\r\n -4 4 3 912.327 806.269 1\r\n 4 -4 3 537.854 451.874 7\r\n 4 4 -2 25087.2 1824.12 7\r\n -4 -4 -2 23930.8 1666.00 3\r\n -4 -4 -2 22936.7 1497.25 4\r\n 4 4 -2 21925.1 790.630 1\r\n 4 -4 2 22508.3 1372.02 1\r\n -4 4 2 24202.6 1746.79 7\r\n -4 -4 -2 21226.0 1407.82 6\r\n 4 -4 2 25644.3 2316.70 6\r\n 4 -4 2 22129.0 2076.35 3\r\n -4 -4 -2 22267.5 1914.00 5\r\n -4 4 2 21264.0 1733.05 6\r\n 4 -4 1 21361.1 1416.74 1\r\n -4 4 1 18846.7 1259.95 7\r\n -4 4 1 21881.9 1817.80 6\r\n -4 -4 -1 20847.9 1558.97 5\r\n -4 -4 -1 19944.9 1459.41 4\r\n 4 4 -1 19427.8 1135.74 1\r\n -4 4 0 16982.5 1147.61 3\r\n 4 -4 0 14994.1 1277.94 1\r\n -4 -4 0 15442.5 1093.54 5\r\n -4 -4 0 16241.8 1471.04 4\r\n -4 4 0 13803.0 1537.67 6\r\n 4 -4 0 17337.9 1690.15 6\r\n -4 4 -1 20199.6 1917.96 6\r\n -4 -4 1 20888.8 985.380 5\r\n 4 -4 -1 21128.7 1774.20 6\r\n 4 4 1 21240.6 1711.03 4\r\n -4 -4 1 19923.2 1844.35 4\r\n -4 4 -1 21755.2 1039.56 7\r\n 4 -4 -1 19445.3 1603.57 1\r\n 4 4 1 22075.3 1457.68 5\r\n -4 4 -2 22696.4 1429.69 7\r\n 4 -4 -2 20973.6 1848.20 5\r\n 4 -4 -2 22059.8 1818.60 1\r\n 4 -4 -2 22593.7 1804.90 6\r\n 4 4 2 19993.5 1514.06 4\r\n 4 -4 -2 23599.4 1712.82 2\r\n 4 4 2 23978.3 1853.04 5\r\n 4 4 3 962.861 481.982 4\r\n 4 -4 -3 428.424 774.289 5\r\n 4 -4 -3 1202.13 540.607 2\r\n -4 -4 3 958.333 394.786 5\r\n -4 4 -3 760.258 471.946 7\r\n 4 4 4 3380.24 733.524 4\r\n 4 -4 -4 2316.73 708.201 2\r\n 4 -4 -4 3163.27 1168.14 5\r\n -4 -4 4 1409.95 1010.87 2\r\n -4 4 -4 1908.19 853.924 7\r\n 4 4 4 3605.32 1117.23 1\r\n -4 -4 4 2841.11 674.756 5\r\n -4 -4 5-44.5970 848.462 5\r\n -4 4 -5 997.399 639.874 7\r\n 4 4 5 677.392 713.593 1\r\n -4 -4 5 1411.32 834.510 2\r\n 4 -4 -5 921.764 544.499 2\r\n 4 4 5 1439.70 618.084 4\r\n 4 -4 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-4 5 2 16349.5 1753.94 6\r\n 4 -5 2 18504.8 1426.35 1\r\n -4 -5 -2 19183.0 1639.00 6\r\n -4 -5 -2 17384.5 1419.80 4\r\n -4 5 2 16130.1 766.585 3\r\n 4 5 -2 18931.9 1794.08 7\r\n -4 -5 -2 16695.4 1814.03 5\r\n -4 -5 -1 2511.85 449.811 3\r\n -4 -5 -1 2538.94 750.140 5\r\n 4 5 -1 2619.11 544.496 1\r\n 4 -5 1 2552.94 631.450 1\r\n -4 -5 -1 3234.60 754.364 4\r\n -4 5 1 2104.75 815.095 6\r\n 4 -5 1 3274.09 1001.12 6\r\n -4 -5 -1 3700.43 847.329 6\r\n -4 5 1 2786.57 889.903 1\r\n 4 5 0 4201.66 818.344 1\r\n -4 -5 0 4530.27 722.432 5\r\n 4 -5 0 6061.39 1176.46 6\r\n -4 5 0 4339.71 1051.49 6\r\n 4 -5 0 4472.18 841.162 1\r\n -4 -5 0 5232.68 984.316 4\r\n 4 -5 -1 3206.87 956.610 6\r\n -4 -5 1 3340.68 567.092 5\r\n 4 -5 -1 2300.78 750.030 5\r\n -4 5 -1 2868.05 499.621 7\r\n 4 5 1 2001.92 818.802 1\r\n 4 -5 -1 3375.51 775.085 1\r\n -4 -5 1 3583.31 991.911 4\r\n 4 -5 -2 16283.6 1732.35 6\r\n 4 -5 -2 16377.4 758.062 4\r\n -4 5 -2 16104.7 1296.51 7\r\n 4 5 2 16689.8 1817.45 1\r\n 4 -5 -2 16817.1 745.927 4\r\n 4 -5 -2 17155.4 1839.98 5\r\n 4 5 2 19855.4 1772.02 5\r\n 4 -5 -3 16568.7 1701.69 2\r\n -4 -5 3 15481.5 1151.28 5\r\n -4 5 -3 15090.6 1503.59 7\r\n 4 5 3 15239.1 1484.69 4\r\n 4 5 3 12262.9 1818.86 1\r\n 4 -5 -3 13992.6 1879.52 5\r\n -4 -5 4 5452.77 854.618 5\r\n -4 5 -4 5608.43 1189.40 7\r\n 4 5 4 6075.98 1413.25 1\r\n 4 -5 -4 6097.32 1050.55 2\r\n 4 5 4 6433.52 960.883 4\r\n 4 -5 -4 5472.18 1447.82 5\r\n -4 -5 4 5182.30 1393.35 2\r\n 4 -5 -5 1573.09 914.696 5\r\n -4 5 -5 2650.98 869.598 7\r\n -4 -5 5 1067.91 1072.64 2\r\n 4 5 5 2549.52 1236.63 1\r\n 4 -5 -6 1011.89 1068.43 5\r\n -4 -5 6 2764.07 1420.43 2\r\n -4 5 -6 1929.86 1028.60 7\r\n 4 5 6 1988.06 1237.10 1\r\n -4 6 5 1339.14 1110.74 1\r\n -4 -6 -5 1867.66 1223.49 5\r\n 4 6 -5-50.8386 1219.09 7\r\n -4 -6 -4 1062.74 867.187 5\r\n -4 6 4 1181.75 962.074 1\r\n -4 6 4 816.346 722.390 6\r\n 4 6 -4 365.091 656.687 7\r\n 4 -6 3 3035.77 617.946 1\r\n -4 -6 -3 2404.92 947.000 5\r\n -4 -6 -3 3681.67 801.180 4\r\n 4 6 -3 3450.40 1087.22 7\r\n -4 -6 -3 4523.95 858.204 6\r\n -4 6 3 3127.45 997.684 6\r\n -4 6 3 2648.50 1035.76 1\r\n -4 -6 -2 1009.13 808.949 5\r\n 4 -6 2 1519.43 607.903 3\r\n -4 6 2 887.613 717.533 1\r\n 4 6 -2 805.633 697.737 7\r\n -4 -6 -2 688.726 606.304 6\r\n 4 -6 2 987.847 341.909 1\r\n -4 6 2 1336.38 770.524 6\r\n 4 6 -2 644.744 350.105 1\r\n -4 -6 -2 485.216 430.799 4\r\n -4 6 2 706.323 496.049 7\r\n 4 6 -1 24128.2 1655.52 1\r\n 4 -6 1 22063.1 1791.97 1\r\n -4 -6 -1 25231.5 2289.33 6\r\n -4 -6 -1 22107.3 1877.59 4\r\n -4 6 1 22484.5 2326.77 6\r\n -4 6 1 19880.2 1964.99 1\r\n -4 -6 -1 19635.7 1853.54 5\r\n 4 6 0 3640.37 894.675 1\r\n -4 -6 0 3551.57 779.368 5\r\n 4 -6 0 1933.55 700.169 1\r\n -4 -6 0 3369.83 901.930 4\r\n 4 -6 -1 22171.6 1758.61 4\r\n -4 6 -1 23088.4 1383.71 7\r\n 4 6 1 20984.4 1988.72 1\r\n 4 -6 -1 21433.8 2097.51 5\r\n -4 -6 1 21205.2 1452.76 5\r\n 4 -6 -2 587.172 257.120 4\r\n 4 -6 -2 369.675 233.265 4\r\n -4 6 -2 733.319 477.189 7\r\n 4 -6 -2 454.921 629.816 5\r\n 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1153.07 1\r\n -4 -7 0 1165.12 333.622 3\r\n -4 -7 0 1331.09 663.966 5\r\n 4 7 0 1717.33 740.619 1\r\n -4 -7 1 4594.11 828.129 5\r\n 4 -7 -1 4232.63 1149.16 5\r\n -4 7 -1 5602.62 816.892 7\r\n 4 7 1 5514.60 1270.23 1\r\n 4 -7 -1 6349.25 1109.24 4\r\n 4 -7 -2 5653.00 1340.54 5\r\n -4 -7 2 5491.18 784.326 5\r\n 4 7 2 5280.83 1376.83 1\r\n -4 7 -2 4856.66 872.801 7\r\n 4 -7 -2 3832.96 624.280 4\r\n 4 7 3 614.305 847.244 1\r\n 4 -7 -3 945.733 525.384 5\r\n -4 7 -3 855.463 583.687 7\r\n 4 7 4 4185.54 1379.81 1\r\n 4 -7 -4 7812.23 1805.13 5\r\n -4 7 -4 5179.88 1177.48 7\r\n 4 -7 -5 1832.20 1101.33 5\r\n 4 7 5 1229.30 955.688 1\r\n -4 -7 5-1491.17 997.708 2\r\n -4 -8 -4 179.774 1181.09 5\r\n 4 8 -4-225.944 1095.77 7\r\n -4 8 4-111.113 891.438 1\r\n 4 8 -3 3078.13 1132.70 7\r\n -4 8 3 786.928 1024.07 1\r\n -4 -8 -3 852.154 1097.78 5\r\n -4 -8 -2 1469.85 1041.24 5\r\n 4 8 -2 3019.30 1045.76 7\r\n -4 8 2 2818.32 1123.09 1\r\n 4 8 -1 9198.16 1594.31 7\r\n 4 8 -1 9540.11 1350.49 1\r\n -4 8 1 9982.33 1655.75 1\r\n -4 -8 -1 11550.4 1652.58 5\r\n -4 -8 0 7430.49 1269.32 5\r\n 4 -8 0 5762.74 1230.24 5\r\n 4 8 0 9303.55 1461.64 1\r\n 4 -8 -1 9251.00 1701.91 5\r\n 4 8 1 10213.6 1658.87 1\r\n -4 8 -1 11356.2 1252.28 7\r\n -4 -8 1 10121.2 1275.22 5\r\n 4 -8 -2 4551.02 1165.75 5\r\n 4 8 2 2217.76 1191.36 1\r\n 4 8 3 565.776 1118.60 1\r\n 4 -8 -3 2828.39 1208.03 5\r\n 4 -8 -4 1144.68 984.170 5\r\n 4 8 4 1378.20 1082.54 1\r\n -4 -9 -2 80.0484 976.277 5\r\n -4 9 2 1387.56 930.456 1\r\n 4 9 -2 21.3601 1005.32 7\r\n 4 -9 1 406.768 423.443 5\r\n 4 9 -1 732.133 702.314 7\r\n -4 -9 0 705.356 428.132 5\r\n 4 -9 0 798.491 967.204 5\r\n 4 9 0 1142.91 881.077 1\r\n 4 -9 -1 1076.60 730.785 5\r\n 4 9 1 516.289 902.396 1\r\n 4 -9 -2 2258.22 937.565 5\r\n 4 9 2 994.950 781.753 1\r\n -5 0 0-33.4739 249.397 4\r\n -5 0 0-112.078 250.244 2\r\n -5 0 1 59306.2 1745.66 4\r\n -5 0 -1 55496.1 1984.09 4\r\n 5 0 -1 57929.7 1788.17 7\r\n 5 0 1 57015.5 1458.96 2\r\n -5 0 -1 54151.1 1700.25 6\r\n -5 0 1 53126.3 1959.24 2\r\n 5 0 -1 58345.9 1808.21 4\r\n 5 0 2 56145.2 2769.33 3\r\n 5 0 -2 47365.4 2186.84 7\r\n 5 0 -2 46363.3 1595.20 1\r\n 5 0 2 49460.6 2014.37 7\r\n -5 0 -2 49981.3 1608.90 6\r\n -5 0 -2 52241.0 2291.89 4\r\n -5 0 2 52411.9 2233.11 2\r\n 5 0 -2 50690.9 2228.60 2\r\n 5 0 2 52531.0 1676.93 6\r\n 5 0 -2 46599.1 1775.18 5\r\n -5 0 2 53676.5 1955.83 4\r\n 5 0 -3 16032.5 1373.20 5\r\n 5 0 3 15229.1 1447.12 4\r\n -5 0 3 16366.9 1075.97 1\r\n 5 0 -3 18234.5 1552.68 2\r\n -5 0 3 17102.0 1414.98 4\r\n 5 0 3 15459.9 989.078 6\r\n 5 0 -3 15743.6 1591.11 7\r\n 5 0 3 15862.9 1473.20 7\r\n 5 0 3 15469.5 1852.76 3\r\n -5 0 -3 16650.9 1633.09 5\r\n 5 0 -3 14020.1 1041.41 1\r\n -5 0 3 13267.5 1333.73 2\r\n -5 0 3 14604.2 1237.70 5\r\n 5 0 4 5452.99 1325.75 3\r\n -5 0 4 7998.08 1181.91 5\r\n 5 0 4 7545.09 1364.56 5\r\n -5 0 4 8168.04 940.541 1\r\n -5 0 4 7531.25 1303.27 7\r\n 5 0 4 7815.24 1261.57 7\r\n 5 0 -4 7805.38 1424.99 7\r\n 5 0 4 9239.09 846.601 6\r\n 5 0 4 7765.12 676.762 2\r\n 5 0 -4 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7\r\n 5 -1 3 5248.69 897.234 7\r\n -5 1 3 6322.96 1023.34 7\r\n -5 1 3 4772.83 864.170 2\r\n 5 -1 2 43589.6 2553.69 3\r\n -5 -1 -2 44882.2 2194.20 5\r\n -5 1 2 42004.4 1963.51 7\r\n -5 -1 -2 42304.8 1967.38 4\r\n -5 1 2 44881.7 1385.23 4\r\n 5 -1 2 40664.2 1851.22 6\r\n 5 -1 2 43754.8 1859.77 7\r\n -5 1 2 40740.2 1912.30 2\r\n -5 -1 -2 43471.5 1148.70 6\r\n -5 1 2 40897.3 1721.40 1\r\n 5 1 -2 42450.2 2091.61 7\r\n 5 1 -2 42086.5 1206.82 1\r\n 5 1 -2 44916.3 1531.23 5\r\n -5 -1 -2 46090.2 2579.10 3\r\n 5 -1 1 267424. 4427.84 6\r\n -5 1 1 272849. 3150.10 4\r\n -5 1 1 267174. 3487.35 7\r\n -5 -1 -1 274134. 3056.82 2\r\n -5 -1 -1 254403. 4151.73 4\r\n -5 1 1 270845. 4248.29 2\r\n 5 -1 1 269972. 3060.41 7\r\n 5 1 -1 287616. 4324.23 7\r\n -5 -1 -1 267867. 4198.81 5\r\n 5 1 0 764951. 4953.04 5\r\n -5 1 0 768888. 7390.80 6\r\n -5 -1 0 705599. 6622.55 4\r\n 5 -1 0 841635. 3928.29 7\r\n -5 -1 0 769569. 6702.99 2\r\n -5 1 0 773285. 6334.14 4\r\n 5 -1 0 783806. 6274.54 4\r\n -5 1 -1 273105. 4709.07 4\r\n -5 -1 1 273939. 4445.79 4\r\n 5 1 1 276952. 3171.02 2\r\n 5 -1 -1 260206. 3726.50 7\r\n -5 -1 1 249369. 4560.34 2\r\n 5 -1 -1 272093. 3170.40 4\r\n -5 1 -1 279793. 4503.80 6\r\n 5 -1 -1 278011. 3990.86 1\r\n 5 1 1 256265. 4169.51 5\r\n -5 1 -2 42364.2 1888.43 6\r\n 5 1 2 40832.5 1894.30 4\r\n 5 -1 -2 45294.1 1853.16 1\r\n 5 -1 -2 43643.6 2092.86 7\r\n -5 -1 2 41768.3 2152.39 2\r\n 5 -1 -2 38285.2 1921.80 2\r\n -5 -1 2 41808.7 1351.34 5\r\n 5 -1 -2 37866.4 1820.27 5\r\n 5 1 3 6345.11 927.504 4\r\n -5 -1 3 6015.03 995.024 2\r\n 5 -1 -3 6836.81 965.859 2\r\n 5 -1 -3 5044.48 1058.88 7\r\n 5 1 3 6918.51 1172.13 3\r\n -5 -1 3 6537.61 802.511 5\r\n 5 -1 -3 4552.59 745.727 1\r\n 5 -1 -3 5220.21 893.301 5\r\n 5 -1 -4 4739.67 1049.40 5\r\n -5 -1 4 6484.77 1023.95 5\r\n 5 1 4 5680.87 1102.80 7\r\n 5 -1 -4 6703.87 1428.95 7\r\n 5 -1 -4 7616.06 1131.30 2\r\n 5 1 4 8055.10 1583.48 3\r\n -5 -1 4 7004.28 1193.28 2\r\n 5 1 4 7021.79 1139.57 4\r\n 5 -1 -5 954.377 858.969 5\r\n -5 -1 5 1485.36 796.341 5\r\n -5 -1 5 1665.72 755.249 2\r\n 5 -1 -5 1125.73 587.053 2\r\n -5 -1 5 1006.64 408.799 1\r\n 5 -1 -5 238.522 726.339 7\r\n 5 1 5 849.552 814.870 4\r\n 5 -1 -6 457.344 936.919 5\r\n -5 -1 6-731.556 665.927 2\r\n 5 1 6 997.046 858.315 4\r\n 5 -1 -6 324.796 706.293 7\r\n -5 -1 7 1564.10 784.239 2\r\n 5 -1 -7 2764.96 1302.23 5\r\n 5 1 7 4307.43 1319.63 4\r\n 5 1 7 1868.84 1174.26 1\r\n 5 -1 -7 4367.22 1402.71 7\r\n 5 -2 7 1802.94 1281.83 4\r\n -5 2 7 1832.45 1036.75 1\r\n 5 2 -7 1122.04 1278.20 7\r\n -5 -2 -7 2288.65 1424.96 5\r\n -5 2 6 2804.44 740.368 4\r\n 5 2 -6 3847.83 1579.30 7\r\n -5 -2 -6 3969.45 1413.44 5\r\n 5 -2 6 2164.22 1317.20 4\r\n -5 2 6 2432.74 973.986 1\r\n 5 -2 6 1974.51 804.722 2\r\n -5 2 6 2421.08 737.026 2\r\n -5 2 6 3838.23 801.977 6\r\n -5 -2 -5 11983.3 1923.14 5\r\n 5 -2 5 14409.6 1725.11 6\r\n -5 2 5 14446.2 1550.09 2\r\n 5 -2 5 12923.3 2025.38 4\r\n -5 2 5 12538.1 1411.23 6\r\n 5 2 -5 14762.7 1639.61 5\r\n -5 2 5 14507.2 1206.49 4\r\n -5 2 5 16231.2 1235.50 4\r\n -5 2 5 13215.8 1668.13 1\r\n 5 2 -5 15659.5 2137.82 7\r\n -5 -2 -4 8935.42 1474.19 5\r\n 5 -2 4 8432.19 1457.05 5\r\n -5 2 4 9576.15 1135.72 2\r\n -5 2 4 8687.46 763.821 4\r\n -5 2 4 8562.08 1255.35 1\r\n 5 -2 4 10863.2 1373.78 6\r\n 5 -2 4 10085.0 1594.16 4\r\n -5 2 4 9103.48 1127.39 6\r\n 5 -2 4 9337.64 1374.46 7\r\n -5 2 4 8332.59 723.481 4\r\n 5 2 -4 8396.43 1095.21 5\r\n 5 2 -4 8334.48 1460.81 7\r\n -5 2 3 33284.1 1013.08 4\r\n -5 -2 -3 37894.8 2833.57 3\r\n 5 -2 3 32642.0 1973.33 7\r\n -5 2 3 32063.3 1941.15 6\r\n -5 2 3 32380.1 2019.93 1\r\n -5 2 3 34615.1 1926.97 2\r\n 5 2 -3 34963.7 2401.87 7\r\n 5 -2 3 33681.4 2308.63 5\r\n -5 2 3 34858.9 2270.30 7\r\n 5 -2 3 34404.8 2814.54 3\r\n 5 2 -3 34974.7 1605.03 5\r\n -5 -2 -3 33646.2 2385.91 5\r\n 5 -2 3 33856.9 2173.23 6\r\n -5 -2 -3 34430.2 2016.09 4\r\n 5 -2 2 24795.3 2049.78 3\r\n -5 -2 -2 26092.1 1925.78 3\r\n -5 2 2 22807.7 1569.49 6\r\n -5 2 2 22832.2 1477.87 2\r\n -5 2 2 22678.0 656.740 4\r\n -5 -2 -2 25702.1 1540.88 4\r\n 5 2 -2 23696.1 1623.05 7\r\n 5 -2 2 24370.4 1341.99 7\r\n 5 2 -2 22537.6 646.479 1\r\n 5 -2 2 24720.7 1736.44 6\r\n -5 -2 -2 23078.3 1723.09 5\r\n -5 -2 -2 24088.6 808.752 2\r\n -5 2 2 24131.8 1555.98 7\r\n -5 -2 -1 137303. 3211.76 4\r\n 5 -2 1 132513. 1808.36 7\r\n -5 2 1 132619. 3515.47 6\r\n -5 2 1 134719. 2242.31 4\r\n -5 -2 -1 137298. 2733.48 2\r\n -5 -2 -1 131756. 3165.74 5\r\n -5 2 1 129370. 2549.20 7\r\n -5 -2 0 177217. 3701.55 4\r\n 5 -2 0 173739. 3282.51 4\r\n -5 -2 0 171073. 3653.30 2\r\n -5 2 0 170101. 4007.46 6\r\n -5 -2 0 171401. 2467.35 5\r\n 5 2 0 172226. 2449.32 5\r\n 5 -2 -1 136296. 2080.29 4\r\n 5 -2 -1 137334. 3268.99 1\r\n -5 -2 1 136224. 3729.51 2\r\n 5 -2 -1 134595. 2682.14 7\r\n -5 2 -1 135900. 3710.31 6\r\n -5 -2 1 138987. 3714.92 4\r\n 5 2 1 134845. 3203.57 4\r\n 5 2 1 139301. 3249.74 5\r\n -5 2 -1 132748. 3855.30 3\r\n 5 -2 -2 23633.2 1557.22 7\r\n -5 2 -2 22562.1 2130.66 3\r\n 5 2 2 24278.7 1468.59 4\r\n -5 -2 2 25880.8 1931.61 4\r\n -5 -2 2 24682.0 1823.40 2\r\n -5 2 -2 24265.4 1710.60 6\r\n 5 -2 -2 22772.3 1562.39 1\r\n -5 2 -2 21416.1 1270.64 7\r\n 5 2 2 24745.1 1775.77 5\r\n 5 -2 -2 22498.5 1581.37 5\r\n 5 -2 -2 23395.8 1554.37 2\r\n -5 -2 2 23685.8 860.379 5\r\n 5 2 3 33209.7 1851.70 4\r\n 5 -2 -3 37480.5 2384.98 7\r\n 5 -2 -3 38535.9 2187.40 1\r\n -5 -2 3 32511.6 2300.18 2\r\n -5 -2 3 34423.8 1580.03 5\r\n 5 -2 -3 33504.4 2060.65 2\r\n -5 2 -3 31499.4 1982.10 7\r\n 5 -2 -3 29346.4 2136.38 5\r\n 5 2 3 35826.6 2546.63 3\r\n 5 2 4 8651.62 1548.91 3\r\n -5 -2 4 7752.97 1308.44 2\r\n -5 -2 4 8564.38 1055.37 5\r\n 5 -2 -4 9211.28 1480.80 5\r\n 5 2 4 7374.57 1096.44 4\r\n 5 -2 -4 8393.66 1442.57 7\r\n 5 -2 -4 9603.80 1278.37 2\r\n -5 2 -4 9104.54 1384.05 7\r\n 5 -2 -5 12702.5 1949.31 5\r\n 5 2 5 14374.2 1680.66 4\r\n -5 -2 5 11679.4 1701.03 2\r\n 5 -2 -5 14637.2 1670.75 2\r\n 5 -2 -5 12820.8 1939.66 7\r\n -5 2 -5 12872.8 1860.17 7\r\n -5 -2 5 15423.1 1739.37 5\r\n 5 -2 -6 4393.61 1463.81 5\r\n 5 2 6 3585.73 1111.55 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511.889 7\r\n -5 -3 -3 941.276 391.338 4\r\n 5 -3 3 550.744 426.964 7\r\n -5 -3 -3 1792.07 746.205 5\r\n 5 -3 3 668.947 610.028 6\r\n -5 3 3 1100.32 447.916 6\r\n -5 -3 -3 861.680 174.849 2\r\n 5 -3 2 13836.3 1590.41 3\r\n -5 -3 -2 12526.5 1356.87 3\r\n 5 3 -2 11117.6 457.181 1\r\n 5 -3 2 11430.9 895.401 7\r\n -5 -3 -2 11478.6 1102.39 4\r\n -5 3 2 10614.9 1120.76 7\r\n -5 3 2 11620.7 1240.08 6\r\n 5 -3 2 11696.9 1415.23 6\r\n 5 3 -2 11917.8 1287.61 7\r\n -5 -3 -2 10169.8 1249.64 5\r\n 5 -3 1 10601.4 1199.76 4\r\n -5 3 1 9872.91 1162.62 6\r\n -5 -3 -1 8772.76 963.702 4\r\n -5 3 1 9057.97 793.697 7\r\n -5 -3 -1 10724.7 1060.85 5\r\n 5 3 0 8541.54 1091.60 4\r\n -5 3 0 7995.04 426.425 7\r\n 5 -3 0 7587.43 851.793 1\r\n 5 3 0 7686.79 604.120 5\r\n -5 3 0 7769.29 1069.52 6\r\n 5 -3 0 6749.03 788.223 4\r\n -5 -3 0 7296.56 886.264 4\r\n -5 -3 0 8528.70 720.374 5\r\n -5 3 0 7355.19 822.564 3\r\n -5 3 -1 10595.4 1230.03 3\r\n 5 -3 -1 8944.90 1003.26 1\r\n -5 3 -1 8543.13 1186.28 6\r\n 5 -3 -1 9171.94 659.149 4\r\n 5 3 1 9295.35 1044.59 4\r\n -5 -3 1 9020.90 1145.93 4\r\n 5 -3 -1 9570.62 1144.09 6\r\n -5 3 -1 8722.13 527.446 7\r\n 5 3 1 9870.87 965.793 5\r\n 5 -3 -2 11924.1 1276.96 1\r\n 5 3 2 11572.1 1112.80 4\r\n -5 -3 2 12509.5 1543.66 4\r\n 5 -3 -2 11285.7 1185.02 2\r\n -5 3 -2 10912.1 1422.67 6\r\n -5 3 -2 7148.11 1341.10 3\r\n -5 -3 2 11283.3 1380.12 2\r\n 5 3 2 10808.9 1234.09 5\r\n -5 -3 2 10732.4 539.940 5\r\n 5 -3 -2 12098.0 1323.09 5\r\n -5 3 -2 10415.7 916.596 7\r\n -5 -3 3 816.956 388.895 5\r\n 5 3 3 470.299 596.155 5\r\n 5 -3 -3 1477.94 837.639 5\r\n 5 -3 -3 326.060 537.788 2\r\n 5 -3 -3 1078.56 598.779 1\r\n -5 -3 3 594.916 622.756 2\r\n 5 3 3 676.261 517.641 4\r\n -5 3 -3 514.573 488.275 7\r\n 5 -3 -4 5911.60 1251.61 5\r\n 5 -3 -4 6106.52 1048.21 2\r\n -5 -3 4 6357.81 1215.10 2\r\n -5 -3 4 5316.54 878.122 5\r\n -5 3 -4 5335.92 1074.86 7\r\n 5 3 4 6198.96 981.907 4\r\n 5 -3 -5 6713.42 1464.32 5\r\n -5 -3 5 6053.42 1102.39 5\r\n 5 3 5 5598.52 1054.66 4\r\n 5 -3 -5 6404.09 1243.83 2\r\n -5 -3 5 5331.81 1331.03 2\r\n -5 3 -5 6024.60 1328.06 7\r\n 5 -3 -6 5621.91 1609.01 5\r\n -5 3 -6 4199.20 1263.25 7\r\n -5 -3 6 4963.89 1245.90 2\r\n 5 3 6 3893.88 996.957 4\r\n 5 3 6 3321.91 1325.23 1\r\n 5 -3 -7 1958.03 1317.62 5\r\n -5 -3 7 496.355 902.088 2\r\n 5 3 7 3555.33 1335.45 1\r\n -5 -4 -6 185.958 909.043 5\r\n 5 4 -6 489.022 665.205 7\r\n -5 4 6 1913.94 1136.88 1\r\n 5 -4 6 623.940 1178.89 4\r\n -5 4 5 526.650 562.571 3\r\n 5 4 -5 1712.20 1081.61 7\r\n 5 -4 5 2319.85 1267.10 4\r\n -5 -4 -5 3061.91 1234.94 5\r\n -5 4 5 1691.66 612.412 6\r\n -5 4 5 3956.88 1098.33 1\r\n 5 -4 4 9517.39 1924.30 4\r\n -5 -4 -4 10027.2 1237.48 4\r\n -5 4 4 10662.4 1575.53 1\r\n -5 -4 -4 9059.33 1748.06 5\r\n 5 -4 4 9934.05 1343.55 7\r\n -5 4 4 10460.2 1298.67 6\r\n 5 4 -4 10490.1 1703.30 7\r\n 5 -4 3 27690.3 2712.91 3\r\n -5 4 3 29306.6 2346.28 1\r\n -5 -4 -3 26535.7 1796.05 4\r\n 5 -4 3 28843.7 1762.44 7\r\n -5 -4 -3 27202.4 1215.54 6\r\n -5 4 3 27069.1 2039.45 6\r\n 5 4 -3 26233.5 2267.56 7\r\n -5 4 3 29081.1 2293.66 7\r\n -5 -4 -3 21480.4 2202.65 5\r\n 5 -4 2 15412.8 1778.74 3\r\n -5 -4 -2 15044.4 1380.30 3\r\n -5 -4 -2 15217.3 1606.43 5\r\n 5 -4 2 15080.1 1202.78 1\r\n 5 -4 2 17357.1 1882.21 6\r\n -5 -4 -2 16578.2 1271.73 6\r\n -5 4 2 14460.9 1540.07 6\r\n 5 4 -2 16258.3 733.890 1\r\n 5 4 -2 15412.2 1557.70 7\r\n -5 4 2 18420.3 1534.19 7\r\n -5 -4 -2 15626.5 1324.97 4\r\n 5 -4 1 13630.8 1193.87 1\r\n -5 -4 -1 15274.3 1340.90 4\r\n -5 4 1 15396.1 1586.24 6\r\n -5 4 1 13537.8 1053.72 7\r\n 5 4 -1 12358.5 932.540 1\r\n -5 -4 -1 13886.4 1296.10 5\r\n 5 -4 0 15563.1 1362.33 1\r\n -5 -4 0 12758.8 996.206 5\r\n -5 4 0 12974.1 1537.66 6\r\n -5 4 0 15886.0 1201.49 3\r\n -5 -4 0 15456.1 1461.09 4\r\n 5 -4 -1 12873.4 1356.56 1\r\n -5 -4 1 15256.6 1624.08 4\r\n 5 4 1 15288.8 1518.95 4\r\n 5 -4 -1 14651.3 1005.16 4\r\n -5 4 -1 15950.5 815.671 7\r\n -5 4 -1 14458.7 1703.06 6\r\n -5 4 -1 16125.0 1600.28 3\r\n -5 -4 1 14747.7 789.286 5\r\n 5 -4 -1 16104.3 1589.23 6\r\n 5 4 1 14486.4 1237.96 5\r\n 5 -4 -2 16022.7 1492.41 2\r\n -5 4 -2 16601.6 1162.12 7\r\n -5 -4 2 15374.9 743.746 5\r\n -5 -4 2 12835.7 1918.34 4\r\n 5 4 2 14752.2 1397.22 4\r\n 5 -4 -2 15269.7 1530.80 6\r\n 5 -4 -2 18535.0 1706.02 1\r\n 5 4 2 16655.5 1612.67 5\r\n 5 -4 -2 17476.8 1719.97 5\r\n 5 4 3 25879.8 1755.00 4\r\n -5 -4 3 26204.9 1309.26 5\r\n 5 -4 -3 27407.8 2097.30 2\r\n -5 -4 3 23918.7 2350.64 2\r\n -5 4 -3 25634.0 1841.40 7\r\n 5 -4 -3 24080.1 2251.86 5\r\n 5 -4 -4 12867.1 1891.34 5\r\n -5 -4 4 10532.7 1788.27 2\r\n 5 -4 -4 10692.4 1435.52 2\r\n 5 4 4 13172.8 1325.99 4\r\n -5 4 -4 10179.4 1452.08 7\r\n -5 -4 4 8910.64 1011.36 5\r\n 5 -4 -5 2982.59 1159.08 5\r\n 5 4 5 2700.48 772.557 4\r\n 5 -4 -5 3540.65 1011.82 2\r\n -5 -4 5 1691.54 1009.78 2\r\n -5 4 -5 2305.76 861.341 7\r\n 5 4 5 2355.49 1191.63 1\r\n 5 -4 -6 1962.57 1210.60 5\r\n -5 -4 6 1339.47 1005.80 2\r\n -5 4 -6 1204.68 999.886 7\r\n 5 4 6 1688.78 1024.35 1\r\n -5 -5 -6 714.661 715.343 5\r\n 5 -5 6 2797.45 1373.66 4\r\n -5 5 6 508.553 1297.38 1\r\n 5 5 -6 1518.14 1182.50 7\r\n -5 -5 -5 1598.76 917.943 5\r\n -5 5 5 1987.62 1115.74 1\r\n 5 5 -5 577.687 1051.59 7\r\n -5 5 5 1899.26 527.577 6\r\n -5 -5 -4 631.702 602.887 4\r\n 5 -5 4 1777.78 840.101 7\r\n -5 5 4 1686.30 956.752 1\r\n 5 -5 4 1353.74 482.316 1\r\n -5 -5 -4 1046.03 906.077 5\r\n -5 5 4 1339.51 797.852 3\r\n -5 5 4 826.522 547.857 6\r\n 5 5 -4 1070.83 729.919 7\r\n -5 -5 -4 1499.47 399.728 2\r\n -5 -5 -3 1549.36 883.921 5\r\n -5 5 3 1519.08 733.876 7\r\n 5 -5 3 2434.00 895.494 3\r\n -5 5 3-1115.29 656.636 3\r\n 5 -5 3 1943.37 543.970 1\r\n -5 -5 -3 2168.45 575.459 6\r\n -5 5 3 1358.72 1000.28 1\r\n -5 5 3 1607.57 711.162 6\r\n 5 5 -3 615.244 696.779 7\r\n -5 -5 -3 1720.67 592.499 4\r\n 5 -5 2 17864.6 1932.49 3\r\n -5 -5 -2 19116.2 1504.24 3\r\n -5 -5 -2 18872.6 1663.36 6\r\n -5 -5 -2 16005.3 1817.81 5\r\n 5 5 -2 18540.0 990.156 1\r\n 5 -5 2 16247.6 1390.09 1\r\n -5 -5 -2 19130.2 1589.96 4\r\n -5 5 2 16152.0 1817.56 1\r\n 5 5 -2 16833.5 1747.83 7\r\n -5 5 2 18997.8 1689.29 7\r\n -5 5 2 18040.0 1891.09 6\r\n -5 5 1 68066.3 1608.66 3\r\n 5 -5 1 69907.5 2915.37 1\r\n -5 5 1 73483.9 3228.64 1\r\n -5 -5 -1 73195.2 3451.68 6\r\n -5 5 1 70953.2 3627.02 6\r\n -5 5 1 69312.5 2545.64 7\r\n -5 -5 -1 69130.7 3082.07 4\r\n -5 -5 -1 72754.3 3148.54 5\r\n 5 5 -1 69533.3 2459.64 1\r\n 5 -5 0 11709.7 1363.46 1\r\n -5 -5 0 14800.9 1587.73 4\r\n 5 -5 0 13953.6 1714.66 6\r\n -5 5 0 8880.12 1487.58 6\r\n 5 5 0 10611.6 1203.83 1\r\n -5 -5 0 11346.4 1110.58 5\r\n 5 -5 -1 71759.8 2556.52 4\r\n 5 -5 -1 73702.9 3668.77 6\r\n -5 -5 1 75206.1 3827.99 4\r\n -5 5 -1 70391.3 1922.67 7\r\n -5 5 -1 75009.2 4007.12 6\r\n 5 5 1 72142.5 3216.25 1\r\n -5 -5 1 67392.2 2076.46 5\r\n 5 -5 -1 70633.0 3317.19 1\r\n 5 5 2 18720.1 1737.19 5\r\n 5 -5 -2 16465.1 691.278 4\r\n 5 -5 -2 16352.8 688.353 4\r\n 5 5 2 17586.8 1720.58 4\r\n 5 -5 -2 17632.2 1835.88 6\r\n 5 5 2 19903.4 1948.27 1\r\n 5 -5 -2 15787.8 1699.48 2\r\n 5 -5 -2 18914.5 1965.53 5\r\n -5 5 -2 17570.3 1260.78 7\r\n -5 -5 2 18177.2 917.097 5\r\n 5 -5 -3 1691.17 888.494 5\r\n -5 5 -3 1682.00 640.448 7\r\n -5 -5 3 2014.71 429.083 5\r\n 5 -5 -3 1003.29 711.286 2\r\n 5 5 3 679.719 667.116 1\r\n 5 5 3 1756.07 718.105 4\r\n -5 -5 4 2040.89 516.521 5\r\n 5 -5 -4 2316.99 1091.84 5\r\n 5 5 4 1223.50 950.757 1\r\n -5 -5 4 1740.38 855.971 2\r\n -5 5 -4 694.351 586.883 7\r\n 5 5 4 1866.03 668.647 4\r\n 5 -5 -4 136.139 891.152 2\r\n 5 -5 -5 1795.94 996.348 5\r\n -5 -5 5 112.377 685.944 2\r\n 5 5 5-523.374 785.039 1\r\n -5 5 -5 536.565 439.323 7\r\n 5 5 5 719.899 599.975 4\r\n 5 -5 -6 1466.11 1194.91 5\r\n -5 5 -6-807.211 865.413 7\r\n -5 -5 6 3496.08 1075.08 2\r\n 5 5 6 1008.65 1334.97 1\r\n 5 -6 5 1821.51 1252.85 4\r\n 5 6 -5 351.503 1037.53 7\r\n -5 -6 -5 399.881 1119.52 5\r\n -5 6 5 1814.53 980.995 1\r\n -5 -6 -4 6088.44 1471.18 5\r\n 5 6 -4 5169.76 1375.52 7\r\n -5 6 4 5921.05 1385.97 1\r\n -5 6 4 4760.92 966.250 6\r\n -5 6 3 2275.99 396.580 3\r\n -5 6 3 2455.18 1049.46 1\r\n 5 6 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679.593 7\r\n -5 -7 -2-386.511 763.664 6\r\n -5 -7 -2 1341.82 477.742 4\r\n -5 -7 -1 1613.72 796.493 5\r\n -5 7 1 2086.63 879.306 1\r\n -5 7 1 2191.22 615.117 7\r\n 5 7 -1 1832.15 696.358 1\r\n -5 -7 0 3583.24 820.777 5\r\n 5 7 0 3537.30 919.660 1\r\n -5 -7 1 2073.44 623.016 5\r\n 5 7 1 1417.02 773.349 1\r\n -5 7 -1 2013.94 522.220 7\r\n 5 -7 -1 2335.23 916.180 5\r\n 5 -7 -1 1997.72 715.492 4\r\n 5 -7 -1 1431.40 743.828 4\r\n -5 -7 2-329.027 342.946 5\r\n 5 -7 -2 1195.71 809.494 5\r\n -5 7 -2 804.155 422.446 7\r\n 5 -7 -2 1007.55 293.610 4\r\n 5 7 2 316.680 770.648 1\r\n 5 -7 -3 2338.93 982.743 5\r\n -5 7 -3 2215.23 749.481 7\r\n 5 7 3 2887.48 1315.98 1\r\n 5 -7 -4-106.324 1298.53 5\r\n -5 -7 4 880.775 842.201 2\r\n 5 7 4 526.943 913.092 1\r\n -5 -7 5 650.058 1120.22 2\r\n 5 -7 -5 763.588 1222.75 5\r\n 5 7 5-936.439 1322.06 1\r\n -5 -8 -4 4519.21 1680.86 5\r\n -5 8 4 2705.47 1395.22 1\r\n 5 8 -4 2407.21 1193.47 7\r\n -5 -8 -3 1088.11 1064.12 5\r\n -5 8 3 445.127 948.166 1\r\n 5 8 -3 798.903 999.635 7\r\n -5 -8 -2 288.708 864.994 5\r\n -5 8 2 2322.56 1057.74 1\r\n 5 8 -2 1375.02 907.356 7\r\n -5 -8 -1 2850.66 916.001 5\r\n 5 8 -1 2081.86 725.568 1\r\n 5 -8 0 1148.36 757.403 5\r\n -5 -8 0 379.292 405.414 5\r\n -5 8 0 221.080 499.503 7\r\n 5 8 0 171.390 624.095 1\r\n -5 -8 1 3327.83 826.708 5\r\n 5 -8 -1 3758.41 1274.88 5\r\n 5 8 1 3182.69 1161.39 1\r\n 5 -8 -1 4270.50 1037.19 4\r\n 5 8 2-218.277 927.136 1\r\n 5 -8 -2 200.417 1048.88 5\r\n 5 -8 -3 1729.23 853.923 5\r\n 5 8 3 195.770 747.046 1\r\n 5 -8 -4 2308.77 1464.38 5\r\n 5 8 4 3879.42 1504.45 1\r\n -5 -8 4 4297.78 1510.68 2\r\n -5 -9 -2-145.430 1146.88 5\r\n 5 9 -2-313.021 730.103 7\r\n -5 9 2 1496.36 638.837 1\r\n -5 -9 -1 1316.98 860.536 5\r\n 5 9 -1-250.912 1108.26 7\r\n 5 9 0 2003.63 1032.40 1\r\n 5 -9 0 1709.49 984.830 5\r\n 5 -9 0 1467.61 981.539 4\r\n 5 -9 -1-4.44901 608.440 5\r\n 5 9 1 147.244 657.593 1\r\n 5 9 2-427.828 761.169 1\r\n 5 -9 -2 321.451 583.531 5\r\n -6 0 0 5371.61 636.016 2\r\n -6 0 0 3840.96 525.545 4\r\n -6 0 1 117199. 3086.18 2\r\n -6 0 1 108564. 2557.15 7\r\n -6 0 -1 117673. 3057.13 4\r\n -6 0 1 120917. 2708.70 4\r\n 6 0 -1 118790. 2747.91 4\r\n -6 0 -1 117910. 2245.22 2\r\n -6 0 -1 112709. 2712.41 6\r\n 6 0 1 111694. 2300.75 2\r\n 6 0 -1 123343. 2699.57 7\r\n -6 0 2-237.205 345.311 2\r\n 6 0 -2-54.0189 314.080 5\r\n 6 0 -2 116.797 223.122 1\r\n 6 0 -2-573.886 456.233 7\r\n -6 0 -2 245.530 170.930 4\r\n -6 0 -2 37.6145 228.727 6\r\n 6 0 2 119.258 157.894 2\r\n -6 0 2-112.006 302.507 4\r\n 6 0 3 6328.36 1225.16 3\r\n 6 0 -3 3616.56 728.935 5\r\n -6 0 3 3998.04 894.817 2\r\n -6 0 3 4919.95 748.721 5\r\n 6 0 -3 4144.03 646.044 1\r\n -6 0 3 5326.65 807.529 4\r\n 6 0 -3 4832.04 1017.31 7\r\n 6 0 3 4703.16 957.939 4\r\n 6 0 -3 3579.25 804.967 2\r\n 6 0 3 4429.64 607.550 6\r\n -6 0 -3 5038.67 651.039 6\r\n 6 0 3 4776.98 838.254 7\r\n -6 0 4 7744.55 1213.63 2\r\n 6 0 4 9961.60 1782.37 3\r\n 6 0 -4 8356.47 1488.14 7\r\n 6 0 4 8268.29 676.392 2\r\n 6 0 4 7808.70 1235.33 7\r\n 6 0 4 8643.58 1320.12 4\r\n -6 0 4 9288.20 1240.74 4\r\n 6 0 -4 10227.2 1360.48 2\r\n 6 0 -4 9650.94 1324.09 5\r\n 6 0 4 9038.20 860.107 6\r\n -6 0 4 9439.72 967.215 1\r\n -6 0 4 8338.31 1164.63 5\r\n -6 0 5 52891.1 3380.98 4\r\n 6 0 5 52362.8 1622.05 2\r\n 6 0 5 55559.4 3523.73 4\r\n -6 0 5 49550.0 3163.39 2\r\n 6 0 -5 50341.4 3832.15 7\r\n -6 0 5 52907.0 2484.48 1\r\n 6 0 5 54291.4 2058.25 6\r\n 6 0 -5 53541.5 3429.33 5\r\n 6 0 -6 3381.60 1096.49 5\r\n -6 0 6 2745.67 841.819 2\r\n 6 0 -6 2320.84 1273.82 7\r\n -6 0 6 4173.13 874.093 1\r\n 6 0 6 2246.54 945.141 4\r\n 6 0 -7 2863.60 1373.80 5\r\n -6 0 7 1528.65 1065.38 4\r\n 6 0 -7 2779.70 1332.65 7\r\n 6 0 7 2568.26 1196.73 4\r\n -6 0 7 2004.06 836.871 2\r\n -6 1 7-1412.06 871.661 1\r\n 6 -1 7 878.685 1092.44 4\r\n 6 1 -7-570.715 1292.58 7\r\n -6 1 7 230.918 305.802 2\r\n 6 1 -7-430.231 869.101 5\r\n -6 1 6 466.940 710.863 1\r\n -6 1 6 1577.73 757.697 4\r\n 6 1 -6 404.991 770.677 5\r\n 6 -1 6 1082.49 485.014 2\r\n -6 -1 -6 1104.12 968.132 5\r\n 6 1 -6 1141.93 996.812 7\r\n 6 -1 6 487.207 890.633 4\r\n -6 1 6 456.546 540.208 2\r\n 6 -1 5 3267.90 664.158 2\r\n -6 -1 -5 3923.44 1171.89 5\r\n -6 1 5 3634.73 925.310 1\r\n 6 1 -5 3545.91 1008.05 5\r\n 6 -1 5 5937.73 1450.59 4\r\n 6 -1 5 4973.25 881.459 6\r\n -6 1 5 2978.21 792.630 4\r\n 6 1 -5 5461.17 1443.66 7\r\n -6 1 5 4369.25 1071.58 2\r\n 6 -1 4 9576.73 1512.22 4\r\n -6 1 4 9288.78 1136.02 1\r\n -6 1 4 11063.1 1364.23 5\r\n 6 -1 4 9936.23 1354.60 7\r\n -6 1 4 8558.35 1257.35 2\r\n -6 1 4 8564.40 1016.65 4\r\n -6 -1 -4 10567.5 1632.36 5\r\n 6 -1 4 9144.78 1103.37 6\r\n 6 1 -4 9321.95 1235.30 5\r\n 6 1 -4 9791.71 1672.67 7\r\n 6 -1 3 27673.9 2500.85 3\r\n -6 -1 -3 21647.3 2327.36 3\r\n 6 -1 3 27542.2 1887.07 7\r\n 6 1 -3 29657.9 2154.79 2\r\n 6 -1 3 24608.9 1607.09 6\r\n -6 -1 -3 26807.6 1930.09 4\r\n 6 -1 3 26712.7 2098.04 4\r\n -6 1 3 25034.4 1362.83 4\r\n 6 1 -3 24300.3 1973.69 7\r\n -6 1 3 27959.0 1991.69 7\r\n -6 1 3 25285.3 1822.38 2\r\n -6 1 3 26355.9 1577.89 1\r\n -6 -1 -3 22960.3 1935.43 5\r\n 6 1 -3 22732.2 1470.43 5\r\n 6 1 -3 26345.2 1190.41 1\r\n -6 -1 -2 13265.7 1574.46 3\r\n 6 -1 2 15835.3 1158.02 7\r\n -6 -1 -2 15643.6 1307.62 4\r\n -6 1 2 13759.2 1237.42 2\r\n -6 1 2 15420.8 909.372 4\r\n 6 1 -2 14479.8 1300.28 7\r\n -6 -1 -2 14174.4 822.559 6\r\n 6 -1 2 14561.6 1195.47 6\r\n 6 1 -2 14075.9 794.190 1\r\n -6 -1 -2 15203.4 1378.11 5\r\n 6 1 -2 15602.1 921.834 5\r\n -6 1 2 15839.0 1218.65 7\r\n 6 -1 2 16478.6 1660.58 3\r\n -6 -1 -1 116342. 3038.87 4\r\n -6 1 1 108569. 2268.31 4\r\n -6 1 1 106210. 2279.07 7\r\n 6 1 -1 104603. 2838.73 7\r\n -6 -1 -1 116370. 2263.40 2\r\n 6 -1 1 108279. 3009.51 6\r\n -6 1 1 108789. 2926.93 2\r\n -6 1 0 188540. 3431.28 4\r\n 6 -1 0 193163. 3396.27 4\r\n -6 -1 0 197247. 3764.02 4\r\n -6 1 0 199517. 3572.43 2\r\n 6 1 0 184074. 3619.07 2\r\n -6 1 0 187716. 3998.95 6\r\n -6 -1 0 187821. 3581.34 2\r\n -6 1 -1 108375. 3114.98 4\r\n 6 -1 -1 115829. 2368.00 4\r\n -6 1 -1 110600. 3023.94 6\r\n 6 -1 -1 110993. 2653.55 1\r\n 6 -1 -1 106113. 2507.74 7\r\n -6 -1 1 118139. 3311.17 2\r\n 6 1 1 112801. 2316.80 2\r\n -6 -1 1 115380. 3004.57 4\r\n 6 1 1 114683. 2923.17 5\r\n 6 -1 -2 14214.2 1108.83 1\r\n -6 1 -2 16354.6 1496.32 4\r\n 6 1 2 16078.2 1293.31 4\r\n -6 -1 2 15782.9 1311.08 4\r\n -6 1 -2 14895.6 1204.86 6\r\n 6 -1 -2 13684.7 1248.46 7\r\n -6 -1 2 14354.6 1374.66 2\r\n 6 1 2 14409.8 581.208 2\r\n 6 -1 -2 14340.7 1290.60 2\r\n 6 -1 -2 14402.4 1170.50 5\r\n 6 -1 -3 27193.9 2100.01 7\r\n 6 -1 -3 26153.7 1666.78 1\r\n -6 -1 3 25198.5 1964.89 2\r\n 6 1 3 27542.1 1870.82 4\r\n 6 1 3 24049.4 2228.55 3\r\n 6 1 3 24551.6 1853.51 7\r\n -6 -1 3 25428.5 1977.92 4\r\n -6 1 -3 24026.4 1604.29 6\r\n 6 -1 -3 25847.0 1848.26 5\r\n 6 -1 -3 27697.6 1945.72 2\r\n -6 -1 3 28457.5 1510.34 5\r\n 6 1 4 10506.9 1632.47 3\r\n -6 -1 4 8541.25 1372.46 2\r\n 6 1 4 10359.1 1368.45 4\r\n 6 -1 -4 10686.3 1598.61 7\r\n 6 -1 -4 9834.11 1385.08 5\r\n 6 -1 -4 10658.9 1395.08 2\r\n -6 -1 4 8984.60 1533.80 4\r\n -6 -1 4 10542.2 1211.91 5\r\n 6 -1 -5 3564.43 1119.44 5\r\n -6 -1 5 3845.16 1067.35 5\r\n -6 -1 5 2999.54 1018.01 2\r\n 6 -1 -5 3694.00 1188.07 7\r\n 6 -1 -5 2246.77 827.561 2\r\n 6 1 5 4116.43 1169.60 4\r\n 6 -1 -6 1321.27 1020.64 5\r\n -6 -1 6 438.855 691.020 2\r\n 6 1 6 1267.60 885.722 4\r\n 6 -1 -6 1771.89 825.476 7\r\n 6 -1 -7-123.100 673.946 5\r\n -6 -1 7-631.832 648.018 2\r\n 6 -1 -7-2699.04 1172.31 7\r\n 6 1 7-105.855 908.608 4\r\n -6 2 7 1923.67 887.621 1\r\n 6 2 -7 2024.22 1048.81 7\r\n 6 -2 7 276.492 1194.92 4\r\n -6 -2 -7 1359.69 1297.14 5\r\n 6 -2 6 4868.72 1576.35 4\r\n -6 2 6 6134.05 1293.88 1\r\n 6 2 -6 6540.80 1781.95 7\r\n -6 2 6 4798.81 1000.83 6\r\n 6 -2 6 5673.63 1001.95 2\r\n -6 2 6 5358.93 1098.24 2\r\n -6 -2 -6 7466.27 1874.03 5\r\n 6 2 -5 220.286 924.496 7\r\n -6 -2 -5 1137.37 1054.20 5\r\n -6 2 5 1580.24 692.891 2\r\n 6 -2 5 2512.41 1215.69 4\r\n -6 2 5 2127.31 568.238 4\r\n -6 2 5 1458.38 415.145 4\r\n 6 -2 5 1488.03 885.105 6\r\n -6 2 5 1644.04 852.717 1\r\n 6 2 -5 1252.17 712.451 5\r\n -6 -2 -4-110.906 665.255 5\r\n 6 -2 4 78.7786 516.035 7\r\n 6 2 -4-711.914 436.190 5\r\n 6 2 -4 575.625 739.925 7\r\n -6 2 4-196.045 716.161 1\r\n 6 -2 4-1219.10 704.484 6\r\n -6 -2 -4 373.525 394.731 4\r\n -6 2 4 413.125 626.846 2\r\n -6 2 4 556.553 234.166 4\r\n 6 -2 4-3.17263 777.239 4\r\n 6 -2 3 4150.99 970.653 3\r\n 6 -2 3 4557.70 865.098 7\r\n -6 -2 -3 3351.18 665.061 4\r\n -6 -2 -3 5549.26 1294.93 3\r\n -6 2 3 3865.24 843.317 1\r\n 6 -2 3 5550.43 1057.25 5\r\n -6 2 3 4209.09 409.591 4\r\n -6 2 3 4265.80 878.619 7\r\n 6 2 -3 5596.12 1029.06 7\r\n -6 -2 -3 2813.21 841.983 5\r\n 6 -2 3 4466.10 952.211 6\r\n -6 2 3 3805.72 789.274 2\r\n -6 2 3 3408.40 773.243 6\r\n 6 2 -3 3762.15 602.143 5\r\n 6 -2 2 35635.7 2451.17 3\r\n -6 -2 -2 31134.3 2199.85 3\r\n -6 2 2 31360.9 1818.45 2\r\n -6 -2 -2 33182.1 1869.50 4\r\n -6 2 2 31829.3 985.345 4\r\n 6 -2 2 32437.5 1529.46 7\r\n -6 2 2 29579.4 1744.87 1\r\n 6 2 -2 35992.4 2074.53 7\r\n 6 -2 2 35028.2 2111.16 6\r\n -6 2 2 31104.6 1928.96 6\r\n -6 -2 -2 33697.1 1034.09 2\r\n -6 -2 -2 31742.1 1997.47 5\r\n -6 2 2 32502.6 1775.42 7\r\n -6 -2 -1 62444.5 2324.62 4\r\n -6 -2 -1 63550.9 1990.06 2\r\n -6 2 1 66054.1 2664.20 6\r\n -6 2 1 65160.8 1769.23 4\r\n 6 -2 1 66158.1 1297.48 7\r\n -6 2 1 63141.8 1760.71 7\r\n -6 -2 -1 64828.8 2292.52 5\r\n -6 -2 0 150886. 3589.39 2\r\n -6 2 0 151486. 3373.90 4\r\n 6 -2 0 151459. 3253.41 4\r\n -6 -2 0 156449. 3676.65 4\r\n -6 2 0 160126. 4099.64 6\r\n 6 2 0 159786. 2537.96 5\r\n -6 -2 0 160895. 2478.46 5\r\n -6 2 -1 64363.6 2839.31 3\r\n -6 -2 1 65880.9 2630.36 4\r\n -6 -2 1 63815.5 2685.44 2\r\n 6 -2 -1 58924.2 2253.31 1\r\n 6 -2 -1 61015.4 1617.06 4\r\n 6 2 1 58738.0 2296.35 4\r\n -6 2 -1 52842.8 2440.22 6\r\n 6 -2 -1 59519.4 1855.47 7\r\n 6 2 1 63584.6 2290.03 5\r\n -6 2 -2 35118.1 2613.38 3\r\n 6 -2 -2 35645.0 1967.90 1\r\n 6 -2 -2 29146.3 1780.20 7\r\n 6 -2 -2 29766.8 1887.31 2\r\n 6 2 2 31751.2 1784.12 4\r\n -6 2 -2 32614.4 2033.19 6\r\n -6 -2 2 35433.8 2250.65 2\r\n -6 -2 2 33018.6 2200.89 4\r\n 6 2 2 34799.7 2149.75 5\r\n 6 -2 -2 34064.8 1948.92 5\r\n 6 2 3 4877.06 1021.17 5\r\n 6 -2 -3 4387.94 868.351 2\r\n 6 -2 -3 2606.37 846.562 5\r\n -6 -2 3 1886.13 885.823 4\r\n -6 -2 3 4079.31 980.708 2\r\n 6 -2 -3 3962.67 865.558 7\r\n 6 2 3 3093.01 727.314 4\r\n 6 -2 -3 4729.93 820.880 1\r\n -6 2 -3 3571.41 1221.56 3\r\n -6 -2 3 4827.80 634.715 5\r\n 6 2 4-661.084 640.484 3\r\n 6 -2 -4-306.369 815.796 7\r\n 6 -2 -4 165.325 667.576 5\r\n -6 -2 4 368.794 485.116 5\r\n 6 -2 -4 428.156 515.788 2\r\n -6 -2 4-61.1772 577.519 2\r\n 6 2 4 261.378 579.466 4\r\n 6 -2 -5 1093.62 901.463 5\r\n -6 -2 5 1058.82 744.583 5\r\n -6 -2 5 1260.39 769.125 2\r\n 6 -2 -5 2216.19 1074.38 7\r\n 6 -2 -5 2791.43 864.695 2\r\n 6 2 5 1693.20 860.384 4\r\n 6 -2 -6 3446.89 1271.51 5\r\n 6 -2 -6 3555.26 1596.96 7\r\n -6 -2 6 5561.46 1291.65 2\r\n 6 2 6 4311.94 1166.97 4\r\n 6 -2 -7-793.829 983.227 5\r\n -6 -2 7 721.499 684.652 2\r\n 6 2 7 1927.90 1112.49 4\r\n 6 2 7 782.154 1147.75 1\r\n -6 3 7 592.229 997.317 1\r\n 6 -3 7 576.846 1298.79 4\r\n 6 3 -7 427.332 932.940 7\r\n -6 -3 -7-3132.16 1666.62 5\r\n 6 3 -6 1410.37 946.095 7\r\n -6 3 6-2166.47 1190.88 1\r\n 6 -3 6 906.316 1175.17 4\r\n -6 -3 -6-1813.52 1099.33 5\r\n 6 -3 6 694.876 494.072 2\r\n -6 -3 -5 3102.87 1209.08 5\r\n -6 3 5 3571.84 933.900 6\r\n -6 3 5 3920.21 1179.87 1\r\n 6 -3 5 4300.02 1403.14 4\r\n 6 3 -5 4469.02 1256.10 7\r\n -6 -3 -4-1103.96 812.534 5\r\n 6 -3 4-82.4357 974.651 4\r\n -6 3 4 12.9295 568.049 6\r\n -6 -3 -4 150.879 176.514 4\r\n 6 -3 4 534.812 628.420 7\r\n 6 -3 4-52.4258 629.974 6\r\n 6 3 -4 241.137 747.716 7\r\n -6 3 4-12.8068 587.025 1\r\n 6 -3 3 26892.4 2595.14 3\r\n -6 -3 -3 24548.2 2363.15 3\r\n 6 3 -3 25140.1 2159.69 7\r\n 6 -3 3 28338.7 2469.52 4\r\n -6 -3 -3 25448.6 1841.34 4\r\n -6 3 3 25091.2 1967.05 1\r\n -6 3 3 25618.9 2046.19 7\r\n 6 -3 3 25230.1 1677.70 7\r\n -6 3 3 23399.1 1858.20 6\r\n 6 -3 3 28305.8 2306.78 6\r\n -6 -3 -3 27934.3 2307.67 5\r\n 6 3 -2 21451.6 1704.00 7\r\n 6 -3 2 20296.6 1911.35 3\r\n -6 -3 -2 20087.4 1741.61 3\r\n -6 3 2 18351.4 1405.73 7\r\n -6 3 2 18332.2 1609.76 6\r\n -6 -3 -2 20250.4 1152.35 2\r\n -6 -3 -2 20851.9 1535.50 4\r\n 6 -3 2 24065.5 2018.49 6\r\n -6 -3 -2 19599.1 1737.86 5\r\n 6 -3 2 20849.5 1117.82 7\r\n 6 -3 1 17768.1 1550.14 4\r\n -6 3 1 16877.8 1533.06 6\r\n -6 -3 -1 17120.8 1348.30 4\r\n -6 3 1 16993.2 998.922 7\r\n -6 -3 -1 16401.3 1291.03 5\r\n 6 -3 0 2393.07 506.407 1\r\n -6 -3 0 2874.51 458.037 5\r\n 6 -3 0 2801.26 576.490 4\r\n -6 3 0 2381.44 706.686 6\r\n -6 -3 0 2281.65 620.626 4\r\n -6 -3 0 2742.77 684.964 2\r\n 6 3 0 2286.03 760.733 4\r\n 6 3 0 3316.20 422.712 5\r\n -6 3 -1 17703.0 1609.63 3\r\n -6 3 -1 14739.8 1534.26 6\r\n 6 -3 -1 17350.5 1416.63 1\r\n 6 -3 -1 16806.6 941.080 4\r\n 6 -3 -1 14182.6 1446.80 6\r\n -6 -3 1 15093.9 1480.32 4\r\n -6 -3 1 15693.1 1553.62 2\r\n 6 3 1 16696.4 1397.85 4\r\n 6 3 1 16508.4 1235.38 5\r\n 6 -3 -2 19500.3 1636.19 1\r\n -6 3 -2 20471.4 2109.81 3\r\n 6 -3 -2 20472.5 1643.79 2\r\n -6 -3 2 21698.7 1917.65 2\r\n -6 3 -2 17225.5 1727.81 6\r\n -6 3 -2 18561.1 1153.59 7\r\n -6 -3 2 20652.3 1890.10 4\r\n 6 3 2 19907.4 1706.54 5\r\n 6 3 2 20752.6 1496.08 4\r\n 6 -3 -2 19646.7 1666.13 5\r\n 6 3 3 23093.9 1689.29 4\r\n -6 3 -3 24451.7 1722.23 7\r\n 6 -3 -3 23572.8 2072.13 5\r\n -6 -3 3 25818.8 2352.36 2\r\n -6 -3 3 26526.9 2428.83 4\r\n 6 -3 -3 23534.7 1879.53 2\r\n 6 -3 -3 22844.8 1928.44 1\r\n -6 -3 3 25385.7 1170.09 5\r\n 6 3 3 28685.9 2284.92 5\r\n -6 -3 4-246.730 649.326 2\r\n 6 -3 -4 358.532 674.442 5\r\n -6 -3 4 474.851 455.421 5\r\n 6 -3 -4-19.5367 446.280 2\r\n 6 3 4 400.229 539.268 4\r\n -6 3 -4 304.964 553.339 7\r\n -6 -3 5 3789.59 886.301 5\r\n 6 -3 -5 2270.93 1058.79 2\r\n -6 -3 5 3607.24 1338.96 2\r\n 6 -3 -5 4366.57 1297.78 5\r\n 6 3 5 2800.81 884.971 4\r\n -6 3 -5 5619.87 1428.15 7\r\n 6 -3 -6 1336.22 908.537 5\r\n -6 -3 6-112.608 787.423 2\r\n 6 3 6-114.982 656.800 4\r\n -6 -3 7-19.3460 1063.85 2\r\n 6 3 7-66.0954 859.830 1\r\n 6 -4 6 256.263 1268.72 4\r\n -6 4 6 393.180 1077.93 1\r\n -6 -4 -6 16.0508 1090.57 5\r\n 6 4 -6 1758.69 1007.16 7\r\n -6 -4 -5 616.151 790.897 5\r\n -6 4 5 1375.79 853.460 1\r\n -6 4 5 2427.42 619.109 6\r\n 6 4 -5 1570.79 912.866 7\r\n 6 -4 5 2759.36 1249.11 4\r\n -6 -4 -4 1735.97 916.549 5\r\n 6 4 -4 3701.66 1164.40 7\r\n -6 -4 -4 2694.56 853.914 4\r\n -6 4 4 1906.20 1041.66 1\r\n 6 -4 4 4514.29 1007.48 7\r\n 6 -4 4 4264.80 1417.22 4\r\n -6 4 4 2466.53 891.588 6\r\n -6 -4 -3 629.135 716.680 3\r\n -6 -4 -3 589.602 591.555 5\r\n 6 -4 3 441.908 555.979 3\r\n -6 4 3 133.896 464.515 6\r\n 6 -4 3 795.994 479.610 7\r\n 6 -4 3-37.4288 703.692 4\r\n -6 4 3 876.707 504.820 7\r\n 6 4 -3 558.411 662.214 7\r\n -6 4 3 521.432 696.030 1\r\n -6 -4 -3 229.206 220.677 6\r\n -6 -4 -3 386.858 461.906 4\r\n -6 -4 -2 4254.74 996.849 5\r\n -6 4 2 6103.96 894.889 7\r\n -6 -4 -2 4946.30 980.848 3\r\n 6 -4 2 5479.25 1159.72 4\r\n 6 4 -2 5787.04 1108.61 7\r\n -6 -4 -2 5382.56 866.074 4\r\n 6 -4 2 4610.24 1115.68 6\r\n -6 4 2 5766.47 1073.96 6\r\n 6 -4 2 5501.90 774.511 1\r\n 6 4 -2 4930.84 465.872 1\r\n 6 -4 2 4387.47 1006.56 3\r\n 6 -4 1 27649.9 2096.05 4\r\n 6 -4 1 26092.2 1696.69 1\r\n -6 -4 -1 31096.8 1979.87 4\r\n -6 4 1 28923.3 1472.53 7\r\n -6 4 1 27894.6 2142.05 6\r\n -6 -4 -1 26545.6 1767.36 5\r\n -6 4 0 6084.46 843.968 3\r\n 6 -4 0 7104.17 1000.37 1\r\n -6 4 0 6977.78 485.044 7\r\n 6 -4 0 6339.30 909.667 4\r\n -6 4 0 6291.27 1121.16 6\r\n -6 -4 0 6127.84 974.746 4\r\n -6 -4 0 7047.67 757.418 5\r\n 6 -4 -1 27378.3 1939.58 1\r\n -6 4 -1 28103.1 905.373 7\r\n 6 -4 -1 29231.1 1419.17 4\r\n 6 -4 -1 28670.2 2165.95 6\r\n -6 -4 1 27570.3 971.902 5\r\n -6 4 -1 31320.7 2428.19 6\r\n 6 4 1 29280.4 2093.12 4\r\n -6 -4 1 27819.9 2180.04 4\r\n -6 4 -1 31705.4 2233.44 3\r\n 6 4 1 30809.7 1754.89 5\r\n 6 4 2 5933.81 983.339 5\r\n 6 -4 -2 4968.64 1040.31 5\r\n 6 -4 -2 6882.70 1144.63 1\r\n -6 4 -2 6749.06 748.582 7\r\n -6 4 -2 5280.32 1149.71 6\r\n -6 -4 2 6278.90 1265.11 2\r\n 6 -4 -2 5696.36 991.539 2\r\n 6 4 2 4714.88 867.533 4\r\n -6 -4 2 5808.00 1204.70 4\r\n -6 4 -3 687.631 479.317 7\r\n -6 -4 3 650.268 267.043 5\r\n 6 -4 -3 93.0072 610.931 5\r\n 6 4 3 843.274 570.765 4\r\n 6 -4 -3 723.326 465.301 2\r\n -6 -4 3 832.229 739.075 2\r\n 6 -4 -4 2845.67 838.316 2\r\n -6 -4 4 4010.16 673.455 5\r\n 6 -4 -4 3247.66 1227.11 5\r\n 6 4 4 4363.55 963.124 4\r\n -6 4 -4 3561.81 911.593 7\r\n -6 -4 4 3404.93 1130.63 2\r\n 6 -4 -5 537.544 718.483 5\r\n 6 4 5 1528.22 593.729 4\r\n -6 -4 5 268.885 592.629 2\r\n -6 4 -5 1221.10 844.255 7\r\n 6 -4 -6 184.710 1088.93 5\r\n -6 4 -6 1852.80 1181.61 7\r\n 6 4 6-536.329 1320.89 1\r\n -6 -4 6 1508.89 900.126 2\r\n 6 5 -6 5465.60 1462.09 7\r\n 6 -5 6 2724.15 1848.99 4\r\n -6 5 6 1731.53 1337.80 1\r\n -6 -5 -6 4029.66 1394.98 5\r\n 6 5 -5 432.382 414.506 7\r\n -6 5 5 1220.00 742.095 1\r\n -6 5 5 1677.38 562.892 6\r\n 6 -5 5 623.864 1152.62 4\r\n 6 -5 4 3275.12 1001.84 7\r\n 6 -5 4 4840.97 752.631 1\r\n -6 -5 -4 4724.17 568.373 2\r\n -6 5 4 4916.67 1328.61 1\r\n 6 5 -4 5564.30 1402.53 7\r\n -6 -5 -4 4713.71 1455.01 5\r\n 6 -5 4 4916.35 1453.00 4\r\n -6 5 4 4481.61 956.767 6\r\n -6 -5 -4 4012.49 821.649 4\r\n -6 -5 -3 1101.27 804.528 5\r\n -6 -5 -3-1241.24 877.324 3\r\n -6 -5 -3 1305.51 586.866 4\r\n -6 -5 -3 1733.82 534.561 6\r\n -6 5 3 1664.66 764.522 6\r\n 6 5 -3 2257.02 876.021 7\r\n -6 5 3 1409.56 674.516 7\r\n -6 5 3 2553.09 974.773 1\r\n 6 -5 3 1427.28 437.602 1\r\n -6 -5 -2 9329.32 1178.19 3\r\n -6 -5 -2 8396.48 1349.46 5\r\n 6 5 -2 9811.54 759.047 1\r\n 6 -5 2 9286.84 1127.31 1\r\n -6 -5 -2 8811.32 1172.38 4\r\n -6 5 2 9830.88 1406.79 1\r\n 6 5 -2 10631.0 1471.59 7\r\n -6 -5 -2 9262.59 1222.46 6\r\n -6 5 2 10749.0 1294.26 7\r\n -6 5 2 8666.06 1355.98 6\r\n -6 5 1 8330.91 765.837 3\r\n -6 5 1 7919.24 1224.21 1\r\n 6 -5 1 8298.26 1143.11 1\r\n -6 -5 -1 8646.31 1164.00 4\r\n -6 5 1 7779.33 1401.99 6\r\n -6 -5 -1 7225.63 1109.75 5\r\n -6 5 1 6731.98 848.157 7\r\n 6 5 -1 8876.61 989.467 1\r\n 6 -5 0 9651.41 1220.40 1\r\n -6 5 0 9431.57 1561.00 6\r\n 6 -5 0 10433.6 1314.04 4\r\n -6 5 0 9782.33 1068.01 3\r\n -6 -5 0 10571.2 1346.54 4\r\n 6 -5 0 8562.84 1469.59 6\r\n -6 -5 0 8830.92 1008.69 5\r\n 6 -5 -1 8734.55 1269.40 1\r\n 6 -5 -1 7357.81 900.958 4\r\n 6 -5 -1 8118.88 1321.87 6\r\n -6 5 -1 7743.56 609.462 7\r\n -6 5 -1 8505.50 1470.81 6\r\n -6 -5 1 7424.62 1366.16 4\r\n -6 -5 1 7294.93 722.626 5\r\n 6 -5 -2 9569.31 1530.38 5\r\n 6 -5 -2 8905.72 504.112 4\r\n -6 5 -2 9482.81 881.961 7\r\n 6 -5 -2 9636.25 545.652 4\r\n 6 5 2 10692.5 1445.31 4\r\n -6 -5 2 8637.48 524.990 5\r\n 6 -5 -2 11443.3 1422.02 2\r\n 6 -5 -2 8578.35 1351.77 6\r\n -6 -5 2 9732.75 551.929 5\r\n 6 5 2 9994.80 1336.20 5\r\n -6 -5 3 1118.39 258.794 5\r\n 6 -5 -3 2234.15 899.000 5\r\n 6 5 3 1733.49 694.355 4\r\n -6 -5 3 1665.67 926.019 2\r\n -6 5 -3 1286.38 654.194 7\r\n 6 -5 -4 5153.52 1464.85 5\r\n 6 5 4 4988.55 953.834 4\r\n -6 5 -4 4729.74 1023.40 7\r\n -6 -5 4 4978.10 1410.97 2\r\n 6 5 4 6195.11 1485.32 1\r\n 6 -5 -5-483.702 870.638 5\r\n 6 5 5 45.3204 843.531 1\r\n -6 5 -5 779.385 575.885 7\r\n -6 -5 5 490.516 578.236 2\r\n 6 5 5 373.807 483.810 4\r\n 6 -5 -6 2517.10 1556.22 5\r\n -6 -5 6 1876.47 1261.91 2\r\n -6 5 -6 2141.88 1235.99 7\r\n 6 5 6 2415.81 1244.22 1\r\n -6 -6 -5-861.705 959.490 5\r\n 6 -6 5 2201.66 1360.34 4\r\n -6 6 5 2264.72 1137.07 1\r\n 6 6 -5 244.612 1195.11 7\r\n -6 -6 -4 1491.72 894.441 5\r\n 6 6 -4-380.005 819.598 7\r\n 6 -6 4 968.880 876.275 4\r\n -6 6 4 536.878 922.544 1\r\n -6 6 4 2567.15 840.609 6\r\n -6 -6 -3 714.489 771.774 5\r\n -6 6 3 1079.89 738.432 1\r\n -6 -6 -3 1781.86 603.786 4\r\n 6 -6 3 722.370 420.875 1\r\n 6 6 -3 898.877 709.979 7\r\n -6 -6 -3 1083.30 551.065 6\r\n -6 6 3 452.897 495.290 6\r\n -6 6 3 1871.48 733.230 7\r\n -6 -6 -2 8819.83 1035.12 3\r\n -6 -6 -2 8480.00 1431.11 5\r\n 6 -6 2 8141.02 1107.03 1\r\n 6 6 -2 9400.41 863.602 1\r\n -6 -6 -2 8817.80 1244.62 4\r\n -6 6 2 8620.28 1512.72 6\r\n -6 6 2 7473.44 1303.77 1\r\n 6 6 -2 9329.21 1480.13 7\r\n -6 6 2 8720.65 1263.40 7\r\n -6 -6 -2 8546.39 1314.69 6\r\n 6 6 -1 1225.87 554.644 1\r\n -6 -6 -1 689.600 608.331 5\r\n 6 -6 1 438.795 344.346 1\r\n -6 6 1 979.199 475.276 7\r\n -6 6 1 629.165 557.079 6\r\n -6 -6 -1 2108.21 641.081 4\r\n -6 6 1 417.547 603.740 1\r\n -6 -6 -1 1053.24 587.600 6\r\n -6 -6 0 1649.18 564.815 5\r\n 6 -6 0 2530.96 854.211 4\r\n -6 6 0 3112.10 1041.45 6\r\n 6 6 0 1875.45 692.875 1\r\n -6 -6 1 1286.85 475.699 5\r\n -6 6 -1 848.950 330.716 7\r\n 6 -6 -1 1239.17 514.379 4\r\n 6 6 1 1313.74 873.561 1\r\n 6 -6 -2 8897.65 1519.76 5\r\n -6 6 -2 10101.2 983.867 7\r\n 6 -6 -2 8331.65 647.050 4\r\n 6 -6 -2 9835.07 708.670 4\r\n 6 6 2 9903.72 1650.96 1\r\n -6 -6 2 8474.36 696.520 5\r\n -6 -6 3 726.064 227.607 5\r\n 6 -6 -3 1558.62 839.106 5\r\n -6 -6 3 835.267 215.861 5\r\n -6 6 -3 886.565 546.352 7\r\n 6 6 3 786.783 785.165 1\r\n 6 6 3 953.208 784.341 4\r\n 6 -6 -4 1860.68 988.529 5\r\n -6 6 -4 1488.50 572.471 7\r\n -6 -6 4 1384.35 706.894 2\r\n 6 6 4 1205.07 1116.27 1\r\n 6 6 4 836.433 707.329 4\r\n 6 -6 -5-844.370 1030.51 5\r\n -6 -6 5 387.897 1039.60 2\r\n -6 6 -5 346.442 498.533 7\r\n 6 6 5-830.449 1372.29 1\r\n -6 -7 -5 23.0844 1105.82 5\r\n -6 7 5 1542.22 1248.68 1\r\n 6 -7 5 4353.30 1732.89 4\r\n 6 7 -5 3557.64 1247.09 7\r\n -6 -7 -4 1925.96 1157.35 5\r\n -6 7 4 2633.91 1389.17 1\r\n 6 -7 4 3344.67 1492.66 4\r\n -6 7 4 2328.60 832.533 6\r\n 6 7 -4 1712.49 1077.34 7\r\n -6 -7 -3 484.141 525.407 5\r\n 6 7 -3 816.428 707.764 7\r\n -6 7 3 1196.71 651.926 6\r\n -6 7 3 710.941 810.687 1\r\n 6 7 -2 1610.44 922.926 7\r\n -6 -7 -2 1322.05 627.939 5\r\n -6 7 2 1067.87 647.816 6\r\n -6 -7 -2 929.669 575.169 4\r\n -6 7 2 1184.34 764.068 1\r\n 6 7 -2 1040.03 410.099 1\r\n -6 -7 -1 4035.27 1010.86 5\r\n 6 7 -1 5225.33 953.121 1\r\n -6 7 1 6918.25 977.675 7\r\n -6 7 1 6284.48 1527.53 6\r\n -6 -7 -1 4953.60 568.036 3\r\n 6 7 0 2148.92 823.213 1\r\n -6 -7 0 1274.97 609.898 5\r\n 6 -7 0 1008.35 778.576 4\r\n -6 -7 1 3850.46 732.720 5\r\n 6 -7 -1 5385.61 1280.01 5\r\n 6 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8 2 1014.66 945.629 1\r\n 6 -8 -2 1751.46 814.214 5\r\n 6 8 3 2647.57 1288.03 1\r\n 6 -8 -3 4353.38 1285.61 5\r\n 6 8 4 15.2954 1267.43 1\r\n 6 -8 -4 272.242 849.952 5\r\n -6 -8 4 1798.39 978.703 2\r\n -6 -9 -2 343.839 1067.80 5\r\n 6 -9 2 1463.22 842.773 4\r\n 6 9 -2 869.435 902.791 7\r\n 6 9 -1 74.7703 1084.37 7\r\n -6 -9 -1 525.732 767.291 5\r\n 6 -9 1-208.750 1117.80 4\r\n 6 -9 0 4775.27 1359.40 5\r\n 6 -9 0 2010.52 1125.02 4\r\n 6 9 0 1730.52 1081.94 1\r\n 6 -9 -1-836.878 931.100 5\r\n 6 9 1 337.641 699.481 1\r\n 6 -9 -2 357.841 817.715 5\r\n 6 9 2 2013.64 1092.56 1\r\n -7 0 0-36.3464 245.955 4\r\n -7 0 0-589.700 376.584 2\r\n -7 0 -1 14687.3 1192.99 4\r\n -7 0 -1 11278.6 963.129 6\r\n -7 0 1 14804.2 1047.95 4\r\n 7 0 -1 13331.3 1009.20 4\r\n -7 0 1 15019.0 1223.81 2\r\n -7 0 -1 15844.9 938.736 2\r\n 7 0 -1 13673.5 991.729 7\r\n 7 0 1 13678.8 929.700 2\r\n 7 0 -2 108.353 557.677 7\r\n -7 0 2 175.215 563.140 2\r\n 7 0 -2 3.17755 355.552 5\r\n -7 0 2 82.3718 438.433 7\r\n -7 0 -2 27.2869 500.626 4\r\n -7 0 -2 252.107 337.234 6\r\n -7 0 2 273.080 339.814 4\r\n 7 0 -2 113.640 339.362 1\r\n 7 0 2 98.6519 249.196 2\r\n 7 0 -3 76328.6 2511.97 1\r\n 7 0 3 76424.9 3135.02 7\r\n 7 0 3 86454.4 3536.46 4\r\n 7 0 -3 80834.7 3465.30 2\r\n 7 0 -3 79086.4 3502.06 7\r\n -7 0 3 84756.2 3039.07 4\r\n -7 0 3 80997.8 3374.82 2\r\n -7 0 -3 80850.5 2438.13 6\r\n -7 0 -3 89121.4 3715.51 4\r\n 7 0 3 78577.9 2479.61 6\r\n 7 0 3 84408.4 1843.58 2\r\n 7 0 -3 81281.3 2960.55 5\r\n -7 0 3 79639.8 3233.47 7\r\n 7 0 3 92877.1 4380.08 3\r\n 7 0 -4 3186.13 939.624 5\r\n -7 0 4 3496.85 905.389 2\r\n 7 0 4 4063.72 497.229 2\r\n -7 0 4 4387.40 891.605 5\r\n -7 0 -4 650.581 1049.08 3\r\n 7 0 4 4526.03 1065.08 4\r\n 7 0 4 4111.95 429.508 2\r\n 7 0 -4 3403.97 1084.75 7\r\n 7 0 -4 3994.57 994.663 2\r\n 7 0 4 4175.47 1054.68 7\r\n 7 0 4 3843.79 629.617 6\r\n -7 0 4 4428.33 873.336 4\r\n 7 0 -5 9826.77 1635.95 5\r\n -7 0 5 9936.42 1662.87 2\r\n 7 0 5 10841.8 647.561 2\r\n 7 0 5 11959.0 1804.03 4\r\n 7 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1430.39 3\r\n 7 -1 4 8954.13 1127.01 6\r\n -7 -1 -4 8506.85 1504.63 5\r\n 7 -1 4 5495.73 1303.34 4\r\n 7 -1 4 8923.68 1340.47 7\r\n -7 1 4 8351.13 979.060 4\r\n -7 1 4 7207.07 1010.76 1\r\n -7 1 4 7936.46 1251.23 2\r\n -7 -1 -3 1272.59 711.762 5\r\n 7 1 -3 1263.59 447.834 5\r\n 7 -1 3 2307.47 829.242 3\r\n 7 1 -3 2765.68 466.559 1\r\n 7 -1 3 2049.72 803.024 4\r\n -7 -1 -3 1493.61 1068.67 3\r\n -7 -1 -3 1184.32 532.240 4\r\n 7 -1 3 1790.72 554.956 6\r\n 7 -1 3 1972.87 644.421 7\r\n 7 1 -3 1794.26 650.284 2\r\n 7 1 -3 1743.93 739.137 7\r\n -7 1 3 1986.17 466.662 4\r\n -7 1 3 1149.83 575.277 7\r\n -7 -1 -3 1654.42 319.460 6\r\n -7 1 3 1803.90 758.084 2\r\n -7 -1 -2 43929.3 2700.90 3\r\n -7 -1 -2 44790.7 2285.15 4\r\n -7 1 2 43212.6 1621.16 4\r\n 7 -1 2 37766.2 1749.31 7\r\n 7 1 -2 39455.8 2128.74 7\r\n -7 -1 -2 44910.6 2327.91 5\r\n 7 -1 2 42958.0 2090.32 6\r\n -7 -1 -2 40471.2 1546.31 6\r\n -7 1 2 40880.8 1955.25 7\r\n -7 1 2 41405.2 2181.50 2\r\n 7 1 -2 41824.8 1483.63 5\r\n -7 -1 -1 10128.9 785.469 2\r\n -7 -1 -1 11165.1 1070.11 4\r\n -7 1 1 10395.5 817.765 4\r\n 7 -1 1 10469.8 881.829 2\r\n 7 1 -1 10117.2 1008.87 7\r\n 7 -1 1 10457.5 1054.75 6\r\n -7 1 1 11377.9 814.803 7\r\n -7 1 1 9768.73 1027.70 2\r\n -7 1 0 275374. 4480.27 4\r\n 7 -1 0 275013. 4360.22 4\r\n -7 -1 0 288304. 4837.24 4\r\n -7 1 0 276393. 4511.58 2\r\n 7 1 0 275945. 4668.53 2\r\n -7 1 0 268286. 5130.25 6\r\n -7 -1 0 279761. 4648.07 2\r\n -7 1 -1 8669.59 990.556 4\r\n 7 -1 -1 10941.8 867.016 7\r\n 7 1 1 11282.2 854.563 2\r\n 7 -1 -1 10913.2 862.405 4\r\n -7 -1 1 9298.66 947.930 4\r\n -7 -1 1 11353.6 1162.79 2\r\n -7 1 -1 10987.7 1063.93 6\r\n 7 1 1 10438.3 972.536 5\r\n 7 -1 -2 42177.0 2246.15 2\r\n 7 -1 -2 43511.0 1952.48 1\r\n -7 -1 2 37236.9 2266.57 2\r\n 7 1 2 43424.2 2150.36 4\r\n 7 1 2 45128.8 1261.03 2\r\n -7 -1 2 39131.5 2098.03 4\r\n -7 1 -2 39604.3 1980.49 6\r\n 7 -1 -2 41959.4 1749.28 4\r\n -7 1 -2 41447.7 2421.04 4\r\n 7 -1 -2 42661.0 2125.69 7\r\n 7 -1 -2 43246.9 1985.95 5\r\n 7 -1 -3 1648.36 552.653 1\r\n 7 -1 -3 1437.79 678.604 5\r\n -7 1 -3 2474.47 668.961 6\r\n -7 -1 3 1268.80 649.101 2\r\n 7 -1 -3 1946.23 677.069 2\r\n 7 -1 -3 1746.22 704.052 7\r\n 7 1 3 1482.35 639.191 4\r\n 7 1 3 1280.10 555.509 7\r\n -7 -1 3 1955.20 637.967 4\r\n 7 1 4 8990.55 1625.59 3\r\n 7 -1 -4 7766.56 1350.11 5\r\n -7 -1 4 8288.62 1364.73 2\r\n 7 -1 -4 4893.16 1086.28 2\r\n 7 -1 -4 8139.96 1440.05 7\r\n 7 1 4 7279.49 1261.12 4\r\n 7 -1 -4 8065.30 1081.74 1\r\n -7 -1 4 6532.42 1254.88 4\r\n -7 -1 4 7308.05 1010.59 5\r\n 7 -1 -5 11934.5 1810.27 5\r\n 7 1 5 12830.6 1786.66 4\r\n -7 -1 5 12784.6 1892.78 2\r\n 7 -1 -5 12216.1 1743.80 2\r\n 7 -1 -5 13523.9 2218.59 7\r\n -7 -1 5 13732.6 1619.82 5\r\n 7 -1 -6 2256.53 1125.14 5\r\n -7 -1 6 4304.75 1064.04 2\r\n 7 1 6 3152.57 1160.28 4\r\n 7 -1 -6 2883.88 1370.77 7\r\n 7 -1 -7 3853.93 1395.22 5\r\n -7 -1 7 2429.62 1013.33 2\r\n 7 1 7 5465.74 1424.18 4\r\n 7 -1 -7 2843.93 1600.74 7\r\n -7 2 7-1238.18 1058.06 1\r\n 7 -2 7 1114.13 1168.83 4\r\n -7 -2 -7-108.962 965.544 5\r\n 7 2 -7 523.555 1471.61 7\r\n -7 2 6 5223.43 1092.57 6\r\n 7 -2 6 4680.01 1479.01 4\r\n 7 2 -6 5825.69 1711.64 7\r\n 7 -2 6 4654.87 1034.55 2\r\n -7 2 6 6002.52 1082.90 2\r\n 7 2 -6 4745.45 1100.70 5\r\n -7 -2 -6 5203.13 1793.07 5\r\n -7 2 6 4401.86 1163.74 1\r\n 7 -2 5 9556.50 1831.53 4\r\n 7 2 -5 9542.11 1329.59 5\r\n -7 2 5 9769.86 977.806 4\r\n -7 2 5 9247.68 1414.11 1\r\n -7 2 5 10291.3 952.534 4\r\n 7 -2 5 9774.51 1491.68 6\r\n -7 2 5 6848.64 1238.50 2\r\n 7 2 -5 9878.80 1937.24 7\r\n -7 -2 -5 10496.3 1808.50 5\r\n -7 -2 -4 31092.2 2378.25 4\r\n 7 -2 4 31617.7 2763.43 4\r\n -7 2 4 31290.6 1389.37 4\r\n -7 2 4 31457.0 2226.06 1\r\n -7 2 4 31315.9 2269.90 2\r\n 7 -2 4 33441.6 2408.29 7\r\n 7 2 -4 30345.1 2696.81 7\r\n 7 -2 4 30897.2 2283.54 6\r\n 7 2 -4 31098.4 1872.01 5\r\n -7 -2 -4 30768.1 2692.25 5\r\n 7 -2 3 9385.14 1545.73 3\r\n 7 2 -3 8863.58 588.343 1\r\n -7 -2 -3 7664.73 1321.02 5\r\n -7 -2 -3 10386.4 1692.88 3\r\n -7 -2 -3 10288.4 1254.24 4\r\n -7 2 3 8267.41 625.313 4\r\n 7 2 -3 7808.57 1312.43 7\r\n 7 -2 3 8003.22 1068.75 7\r\n 7 -2 3 9351.61 1257.85 6\r\n -7 2 3 8664.81 1139.69 1\r\n -7 2 3 8874.21 1228.54 7\r\n -7 2 3 8722.56 1159.17 2\r\n -7 2 3 6428.64 1104.63 6\r\n 7 -2 3 10459.2 1407.91 5\r\n 7 2 -3 10035.9 875.251 5\r\n -7 -2 -2 72595.3 3487.49 3\r\n -7 -2 -2 81637.9 1780.32 2\r\n -7 2 2 83901.6 2793.74 7\r\n -7 -2 -2 84466.1 3100.59 4\r\n -7 2 2 85827.3 1888.77 4\r\n -7 2 2 82393.5 3248.90 6\r\n -7 2 2 86285.0 3080.94 2\r\n 7 2 -2 86967.4 3277.09 7\r\n 7 -2 2 87763.2 3367.57 6\r\n 7 -2 2 77717.1 2345.65 7\r\n 7 2 -2 80260.8 1403.06 5\r\n -7 -2 -2 84043.8 3248.62 5\r\n 7 -2 1 30621.3 1881.65 4\r\n -7 2 1 29798.9 1329.77 4\r\n -7 -2 -1 30604.9 1775.28 4\r\n -7 -2 -1 34633.0 1569.84 2\r\n 7 -2 1 32125.4 956.250 7\r\n -7 2 1 28493.3 1887.27 6\r\n -7 -2 -1 30799.6 1618.61 5\r\n -7 2 1 29829.1 1220.82 7\r\n 7 2 0 130.419 208.808 5\r\n 7 -2 0 476.183 344.145 4\r\n -7 -2 0 321.116 456.989 2\r\n -7 2 0 72.9660 282.564 4\r\n -7 -2 0 142.961 326.698 4\r\n -7 2 0-440.871 501.925 6\r\n -7 2 -1 33132.9 2036.06 6\r\n 7 -2 -1 29773.1 1378.86 7\r\n -7 2 -1 33248.3 2003.47 4\r\n 7 -2 -1 28649.8 1253.14 4\r\n 7 2 1 29676.8 1655.75 5\r\n -7 -2 1 26044.2 1756.19 4\r\n -7 -2 1 25520.1 1807.41 2\r\n 7 2 1 30461.3 1817.36 4\r\n 7 -2 -1 32510.7 1736.04 1\r\n -7 2 -1 28480.4 2038.75 3\r\n -7 2 -2 80883.8 3937.23 3\r\n 7 -2 -2 81650.4 3006.79 1\r\n 7 2 2 83189.4 2961.20 4\r\n 7 -2 -2 89440.7 3058.58 7\r\n -7 -2 2 88009.2 3507.77 4\r\n 7 -2 -2 89179.5 3305.24 2\r\n -7 -2 2 83535.8 3503.54 2\r\n -7 2 -2 85573.7 3308.93 6\r\n 7 -2 -2 84900.7 1978.75 4\r\n 7 2 2 81254.6 3289.49 5\r\n 7 -2 -2 85911.8 3084.15 5\r\n 7 -2 -3 9853.51 1367.17 7\r\n -7 2 -3 8669.32 1184.43 6\r\n -7 -2 3 10666.1 1400.46 4\r\n -7 2 -3 10820.0 1869.05 3\r\n 7 2 3 10917.1 1276.92 4\r\n 7 -2 -3 9221.12 1263.83 2\r\n 7 -2 -3 11136.8 1329.58 1\r\n -7 -2 3 8618.67 1349.49 2\r\n 7 2 3 12121.0 1551.96 5\r\n 7 -2 -3 10370.5 1321.28 5\r\n -7 -2 3 9408.16 772.188 5\r\n 7 -2 -4 31651.0 2384.20 2\r\n 7 2 4 34581.4 2372.49 4\r\n -7 -2 4 31858.8 2733.23 4\r\n 7 -2 -4 29743.7 2230.29 1\r\n 7 -2 -4 30188.6 2641.84 7\r\n -7 -2 4 27583.7 2480.26 2\r\n 7 -2 -4 29082.2 2461.19 5\r\n -7 -2 4 31428.1 1795.95 5\r\n 7 -2 -5 10948.8 1799.05 5\r\n -7 -2 5 8748.99 1647.15 2\r\n 7 -2 -5 8403.37 1469.85 2\r\n 7 2 5 10198.5 1532.87 4\r\n 7 -2 -5 9527.06 1798.48 7\r\n -7 -2 5 10926.8 1355.25 5\r\n -7 -2 6 5607.13 1180.48 2\r\n 7 -2 -6 6157.12 1516.54 5\r\n 7 2 6 5340.55 1331.57 4\r\n 7 -2 -6 4389.48 1324.79 7\r\n 7 -2 -7-2533.17 1434.25 5\r\n -7 -2 7-2224.10 937.765 2\r\n 7 2 7 1162.16 778.045 1\r\n 7 2 7 881.587 840.110 4\r\n 7 3 -7 5067.82 1968.95 7\r\n -7 3 7 4172.23 1369.45 1\r\n 7 -3 7 2913.24 1676.93 4\r\n -7 -3 -7 2899.34 1370.46 5\r\n 7 3 -6 7063.37 1560.07 7\r\n -7 3 6 5094.10 1378.84 1\r\n -7 -3 -6 7533.66 1546.69 5\r\n -7 3 6 3380.94 917.861 6\r\n 7 -3 6 5511.76 1611.20 4\r\n 7 3 -5 14563.7 2273.97 7\r\n -7 3 5 15536.2 1966.26 1\r\n -7 -3 -5 15360.3 2248.75 5\r\n 7 -3 5 14530.5 2336.41 4\r\n -7 3 5 14265.4 1638.10 6\r\n -7 -3 -4 4813.85 1299.32 5\r\n -7 3 4 5809.94 1193.51 1\r\n 7 3 -4 5689.73 1444.69 7\r\n -7 3 4 5478.41 1182.16 6\r\n 7 -3 4 5917.03 1608.49 4\r\n -7 -3 -4 5185.80 1050.94 4\r\n 7 -3 4 6035.09 1374.81 6\r\n 7 -3 4 6469.51 1101.51 7\r\n -7 -3 -3 2750.95 899.019 5\r\n -7 3 3 4598.45 984.852 1\r\n 7 -3 3 4522.32 1127.84 3\r\n -7 -3 -3 5270.89 1315.27 3\r\n -7 3 3 3731.73 909.852 6\r\n 7 -3 3 3399.71 1140.47 4\r\n -7 -3 -3 4393.68 885.394 4\r\n -7 -3 -3 4272.77 380.974 6\r\n -7 3 3 4008.35 857.386 7\r\n 7 -3 3 5076.76 1148.46 6\r\n 7 3 -3 3843.02 997.164 7\r\n 7 -3 3 4625.81 761.819 7\r\n -7 -3 -2 9270.19 1308.43 3\r\n 7 -3 2 8749.03 1297.47 4\r\n -7 -3 -2 7796.82 1047.06 4\r\n 7 -3 2 8515.81 738.374 7\r\n 7 3 -2 9529.07 1220.47 7\r\n -7 3 2 8620.51 1002.60 7\r\n -7 -3 -2 8276.05 796.092 2\r\n -7 3 2 8530.19 1178.78 6\r\n 7 -3 2 9203.01 1302.54 6\r\n -7 -3 -2 7315.48 1123.09 5\r\n -7 3 1 19020.5 1702.59 6\r\n -7 -3 -1 17542.2 1448.30 4\r\n -7 3 1 19132.0 1041.77 7\r\n -7 -3 -1 19022.4 1383.88 2\r\n 7 -3 1 19913.9 1663.14 4\r\n -7 -3 -1 18670.7 1375.26 5\r\n 7 -3 0 55010.3 2357.14 1\r\n 7 -3 0 55201.7 2264.39 4\r\n -7 -3 0 54687.6 2564.65 4\r\n 7 3 0 44787.4 2583.20 4\r\n -7 3 0 52561.3 2776.86 6\r\n -7 -3 0 53733.6 2585.40 2\r\n -7 -3 0 50049.1 1652.56 5\r\n 7 3 0 54650.7 1633.27 5\r\n -7 3 -1 20752.5 1785.96 3\r\n -7 -3 1 20570.1 1701.02 4\r\n 7 -3 -1 19418.4 1509.57 1\r\n 7 -3 -1 20412.2 1099.54 4\r\n 7 3 1 22354.1 1668.91 4\r\n -7 3 -1 19601.1 1794.16 6\r\n -7 -3 1 20469.7 1787.17 2\r\n 7 -3 -1 18483.5 1661.41 6\r\n 7 3 1 19508.3 1387.96 5\r\n 7 -3 -2 8233.82 1143.33 1\r\n -7 3 -2 8948.17 1461.42 3\r\n 7 -3 -2 7844.24 487.130 4\r\n 7 -3 -2 8318.63 1139.46 2\r\n -7 3 -2 9643.03 1369.05 6\r\n -7 -3 2 9243.77 1379.55 2\r\n -7 -3 2 5890.73 1097.22 4\r\n 7 3 2 8999.46 1197.52 5\r\n 7 -3 -2 9036.92 1185.54 5\r\n 7 3 2 8631.05 1130.65 4\r\n 7 -3 -3 4192.35 909.517 2\r\n 7 3 3 4133.86 1090.82 5\r\n 7 -3 -3 3214.94 988.159 5\r\n -7 3 -3 184.689 945.507 3\r\n 7 -3 -3 3473.88 907.873 7\r\n -7 -3 3 2622.22 998.098 2\r\n 7 3 3 3816.38 895.453 4\r\n 7 -3 -3 4316.26 957.880 1\r\n -7 -3 3 4147.73 1005.78 4\r\n -7 -3 3 4756.72 441.440 5\r\n 7 -3 -4 7513.19 1535.92 5\r\n 7 -3 -4 5182.35 1153.11 2\r\n 7 -3 -4 6955.10 1474.77 7\r\n -7 -3 4 6943.39 1496.15 2\r\n 7 3 4 5016.69 1091.42 4\r\n -7 -3 4 5983.09 820.760 5\r\n 7 3 5 15006.2 1759.48 4\r\n -7 -3 5 12753.7 2067.87 2\r\n 7 -3 -5 17037.5 2358.75 5\r\n -7 -3 5 17885.5 1601.18 5\r\n 7 -3 -6 5164.74 1623.79 5\r\n -7 -3 6 5819.48 1500.50 2\r\n 7 3 6 4916.92 1111.95 4\r\n 7 -3 -7 2333.09 1271.46 5\r\n -7 -3 7 3308.77 1132.59 2\r\n 7 3 7 4107.92 1575.43 1\r\n -7 -4 -6 1853.14 1163.52 5\r\n -7 4 6 826.644 801.411 1\r\n 7 -4 6 1143.40 1397.64 4\r\n 7 4 -6 1615.85 1188.06 7\r\n -7 -4 -5 3021.73 1206.19 5\r\n 7 -4 5 2422.95 1226.82 4\r\n -7 4 5 4514.46 984.800 6\r\n 7 4 -5 4030.55 1427.15 7\r\n -7 4 5 2344.34 1105.54 1\r\n -7 -4 -4 21049.7 2500.26 5\r\n 7 -4 4 23412.9 2700.25 4\r\n -7 -4 -4 24364.2 2034.08 4\r\n -7 4 4 24141.9 2157.95 6\r\n -7 4 4 21777.3 2259.11 1\r\n 7 -4 4 26835.3 1974.20 7\r\n 7 4 -4 22972.1 2568.28 7\r\n 7 -4 3 17746.3 2222.17 3\r\n -7 -4 -3 18549.1 2143.27 3\r\n 7 4 -3 16614.8 1907.13 7\r\n 7 -4 3 17542.9 2222.24 4\r\n -7 -4 -3 17249.5 1636.42 4\r\n -7 4 3 17585.7 1783.41 7\r\n 7 -4 3 16453.5 1298.14 7\r\n -7 -4 -3 17702.4 1056.82 6\r\n -7 -4 -3 15527.8 1019.72 2\r\n -7 4 3 18760.4 1899.73 6\r\n -7 4 3 17340.6 1851.27 1\r\n -7 -4 -3 17151.6 2002.69 5\r\n -7 -4 -2 231.409 551.706 5\r\n -7 -4 -2 282.472 472.857 3\r\n -7 4 2-853.665 485.120 7\r\n 7 -4 2 39.8033 625.987 4\r\n 7 4 -2 183.588 642.363 7\r\n -7 -4 -2-32.7299 209.598 4\r\n 7 -4 2-150.362 616.078 6\r\n -7 4 2 358.959 394.665 6\r\n -7 -4 -2-109.280 349.897 2\r\n -7 4 2-487.864 593.302 1\r\n 7 -4 1 13752.1 1547.98 4\r\n -7 -4 -1 12787.2 1345.24 4\r\n -7 4 1 14204.2 1648.04 6\r\n 7 -4 1 14172.6 1294.47 1\r\n -7 4 1 11827.6 900.624 7\r\n -7 -4 -1 13633.3 1312.47 5\r\n -7 4 0 7000.78 935.754 3\r\n 7 -4 0 8485.48 1054.48 4\r\n 7 -4 0 7846.23 1072.48 1\r\n -7 -4 0 8082.94 805.493 5\r\n -7 4 0 7956.30 1299.68 6\r\n -7 -4 0 7900.60 1128.18 4\r\n 7 4 0 8746.97 1353.37 4\r\n -7 4 -1 12759.2 1550.72 3\r\n 7 -4 -1 12827.1 1422.05 1\r\n 7 -4 -1 11383.5 962.350 4\r\n 7 -4 -1 13581.9 1469.99 2\r\n 7 4 1 13629.4 1531.97 4\r\n -7 -4 1 15054.1 1645.97 4\r\n -7 4 -1 14638.8 1756.84 6\r\n 7 -4 -1 14796.1 1642.44 6\r\n -7 -4 1 13660.8 1700.68 2\r\n 7 4 1 12491.8 1178.35 5\r\n 7 -4 -2-52.9378 592.982 1\r\n 7 4 2-829.454 534.934 5\r\n -7 4 -2 253.897 280.532 7\r\n 7 -4 -2-395.016 563.669 5\r\n -7 4 -2 289.238 573.829 3\r\n -7 -4 2 27.1856 724.277 2\r\n 7 -4 -2 151.052 101.415 4\r\n 7 -4 -2-24.7479 458.654 2\r\n 7 4 2 8.11480 515.746 4\r\n -7 4 -2 39.0151 481.235 6\r\n -7 -4 2-784.185 579.845 4\r\n 7 4 3 13641.6 1498.61 4\r\n -7 4 -3 18958.8 1510.33 7\r\n 7 -4 -3 19815.9 1881.04 2\r\n -7 -4 3 17583.9 2143.26 2\r\n 7 -4 -3 16091.9 1933.12 5\r\n 7 4 4 23808.9 1990.59 4\r\n -7 -4 4 22943.8 2584.44 2\r\n -7 4 -4 20253.0 1950.74 7\r\n 7 -4 -4 19980.0 2403.83 5\r\n -7 -4 4 25188.0 1272.47 5\r\n 7 -4 -5 4143.70 1199.48 5\r\n -7 -4 5 4172.78 1205.75 2\r\n 7 4 5 2516.69 763.763 4\r\n -7 4 -5 1660.30 816.097 7\r\n 7 -4 -6 670.856 950.745 5\r\n 7 4 6 973.564 1094.56 1\r\n -7 -4 6 5.00034 1066.40 2\r\n -7 -5 -6 3855.07 1386.66 5\r\n -7 5 6 2322.00 1085.15 1\r\n 7 5 -6 688.068 1162.50 7\r\n 7 -5 6 688.925 1469.45 4\r\n -7 -5 -5-745.963 891.756 5\r\n -7 5 5-1696.40 997.011 1\r\n 7 -5 5 765.096 894.430 4\r\n 7 5 -5-937.774 947.758 7\r\n -7 5 5-85.2524 617.026 6\r\n -7 -5 -4 2121.83 967.816 5\r\n -7 5 4 377.874 871.128 1\r\n -7 -5 -4 994.934 272.332 2\r\n 7 -5 4 1546.01 1115.10 4\r\n -7 -5 -4 235.886 575.622 4\r\n 7 5 -4 1111.34 938.902 7\r\n 7 -5 4 855.179 588.858 7\r\n -7 5 4 2018.48 858.022 6\r\n 7 -5 4 1325.42 444.850 1\r\n -7 -5 -3 7127.47 1474.19 5\r\n -7 -5 -3 8692.52 1527.92 3\r\n 7 -5 3 8331.85 1081.07 1\r\n -7 5 3 8383.53 1263.02 7\r\n 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5\r\n -7 5 -1 8273.46 447.536 7\r\n 7 -5 -1 7829.42 937.462 4\r\n -7 5 -1 8786.99 1380.74 3\r\n 7 -5 -1 7702.28 1403.78 6\r\n -7 5 -1 9060.42 1594.25 6\r\n -7 -5 1 8775.29 682.014 5\r\n 7 5 1 8056.27 1428.40 4\r\n 7 5 1 8981.70 1098.84 5\r\n -7 -5 2 12527.7 1887.26 2\r\n 7 -5 -2 12629.4 629.966 4\r\n -7 5 -2 13468.9 982.621 7\r\n 7 5 2 11464.9 1561.08 4\r\n 7 -5 -2 12476.8 701.302 4\r\n -7 5 -2 13263.0 1983.02 6\r\n 7 -5 -2 13530.5 1731.46 6\r\n 7 5 2 13617.9 1544.22 5\r\n 7 -5 -2 12353.8 1697.43 5\r\n 7 -5 -3 7876.13 1633.87 5\r\n -7 -5 3 7982.04 1666.55 2\r\n -7 5 -3 9087.67 1030.05 7\r\n 7 5 3 7564.51 1254.28 4\r\n 7 -5 -4 1329.15 1055.64 5\r\n -7 5 -4 704.033 552.276 7\r\n 7 5 4 1676.20 740.127 4\r\n -7 -5 4 1396.36 933.967 2\r\n 7 -5 -5-505.309 1019.87 5\r\n 7 5 5 381.707 1059.66 1\r\n -7 5 -5 198.979 526.846 7\r\n 7 5 5 628.815 657.590 4\r\n -7 -5 5-261.775 437.920 2\r\n -7 -5 6 387.730 1256.62 2\r\n 7 5 6 1914.22 1051.17 1\r\n -7 -6 -5 2375.77 1127.25 5\r\n 7 6 -5 4011.16 1302.93 7\r\n -7 6 5 1317.52 1092.40 1\r\n 7 -6 5 4205.45 1626.60 4\r\n -7 -6 -4 3985.27 1284.96 5\r\n -7 6 4 4952.89 1501.26 1\r\n 7 -6 4 3781.84 1483.60 4\r\n 7 6 -4 5337.75 1380.80 7\r\n -7 6 4 3880.29 1098.34 6\r\n -7 -6 -3 3082.33 1119.74 5\r\n -7 6 3 4976.63 1211.48 1\r\n 7 -6 3 6320.49 1649.88 4\r\n 7 6 -3 5971.25 1314.82 7\r\n -7 6 3 3610.84 1325.34 6\r\n -7 6 3 5293.02 1050.79 7\r\n 7 -6 3 4113.62 858.670 1\r\n -7 -6 -3 4845.93 998.389 4\r\n -7 6 2 11080.7 703.210 3\r\n -7 -6 -2 15634.6 1498.05 3\r\n -7 -6 -2 12083.2 1628.02 5\r\n 7 6 -2 13505.6 1048.34 1\r\n 7 -6 2 13050.9 1406.71 1\r\n -7 -6 -2 14860.9 1643.30 4\r\n -7 6 2 15100.5 1558.51 7\r\n 7 6 -2 13114.6 1809.70 7\r\n -7 6 2 12127.6 1656.71 1\r\n 7 -6 2 10744.7 1788.99 4\r\n -7 -6 -2 13396.5 1652.56 6\r\n -7 6 2 12701.0 1780.40 6\r\n -7 -6 -1 412.952 607.029 5\r\n -7 6 1 1883.54 474.221 7\r\n -7 6 1 944.619 292.586 3\r\n 7 -6 1 1119.30 754.537 4\r\n -7 -6 -1 975.193 802.489 6\r\n -7 6 1 570.486 845.246 6\r\n -7 -6 -1 738.662 685.851 4\r\n 7 6 -1 186.557 496.834 1\r\n -7 -6 0 1907.91 579.211 5\r\n -7 6 0 2913.08 399.581 7\r\n -7 6 0 2380.88 427.298 7\r\n 7 -6 0 3611.82 939.534 4\r\n 7 6 0 2101.32 767.542 1\r\n -7 6 0 2446.29 945.296 6\r\n -7 -6 1 695.888 403.059 5\r\n -7 6 -1 711.202 227.248 7\r\n 7 -6 -1 448.850 442.892 4\r\n -7 6 -1 472.364 854.053 6\r\n 7 6 1 1555.99 757.741 1\r\n 7 -6 -2 11865.7 1821.82 5\r\n 7 -6 -2 13966.6 815.793 4\r\n -7 6 -2 14876.6 1053.33 7\r\n 7 -6 -2 14233.7 858.444 4\r\n 7 6 2 14537.2 1837.08 1\r\n 7 -6 -3 3421.24 1168.87 5\r\n 7 6 3 4494.88 1315.76 1\r\n -7 -6 3 6320.16 1573.80 2\r\n -7 6 -3 6720.42 956.178 7\r\n 7 6 3 5202.62 1317.82 4\r\n 7 -6 -4 4877.33 1441.08 5\r\n -7 6 -4 2763.23 771.134 7\r\n 7 6 4 6522.63 1594.70 1\r\n 7 6 4 2612.43 1040.18 4\r\n -7 -6 4 3612.02 1256.93 2\r\n 7 -6 -5 2540.41 1362.34 5\r\n -7 -6 5 3868.17 1550.47 2\r\n 7 6 5 1633.52 1324.00 1\r\n -7 -7 -4 3623.22 1120.56 5\r\n -7 7 4-223.092 1101.52 1\r\n -7 7 4 733.638 649.692 6\r\n 7 -7 4 667.164 1150.70 4\r\n -7 -7 -3 2154.77 844.323 5\r\n -7 7 3 3201.11 1265.11 1\r\n 7 -7 3 1544.93 1185.31 4\r\n 7 7 -3 5564.26 1334.47 7\r\n -7 7 3 3083.43 1157.19 6\r\n -7 -7 -2 3711.79 995.961 5\r\n -7 7 2 4361.50 1350.32 6\r\n 7 7 -2 4288.92 711.961 1\r\n 7 -7 2 5954.72 1508.08 4\r\n 7 7 -2 2960.92 1053.37 7\r\n -7 7 2 4536.46 1264.53 1\r\n -7 -7 -1 3260.57 963.634 5\r\n -7 -7 -1 4103.08 665.694 3\r\n 7 7 -1 2801.55 785.804 1\r\n 7 -7 1 3203.28 1056.74 4\r\n -7 7 1 2947.57 1060.63 6\r\n -7 -7 0 204.788 446.307 5\r\n 7 -7 0-267.892 700.000 4\r\n -7 7 0 474.413 730.974 6\r\n -7 7 0 91.1235 259.618 7\r\n 7 7 0 192.242 624.743 1\r\n -7 -7 1 3291.80 624.832 5\r\n 7 -7 -1 3434.12 1149.92 5\r\n 7 -7 -1 4530.07 938.467 4\r\n -7 7 -1 4566.60 535.744 7\r\n 7 7 1 4150.45 1172.07 1\r\n 7 -7 -2 4940.07 1348.34 5\r\n 7 7 2 3436.72 1015.58 1\r\n 7 -7 -3 2551.11 1106.67 5\r\n 7 7 3 3600.99 1101.44 1\r\n -7 -7 3 1525.43 1466.62 2\r\n 7 -7 -4 246.462 1100.85 5\r\n -7 -7 4 982.162 763.436 2\r\n 7 7 4-734.397 1091.78 1\r\n -7 -8 -3-1996.59 1119.41 5\r\n 7 8 -3 2414.15 842.760 7\r\n -7 8 3-637.137 855.667 1\r\n 7 -8 3 1412.67 1166.36 4\r\n -7 -8 -2 3745.17 950.892 5\r\n 7 -8 2 3556.01 1446.70 4\r\n 7 8 -2 4691.02 1299.01 7\r\n -7 -8 -1 5816.32 1230.23 5\r\n 7 -8 1 5619.29 1526.48 4\r\n 7 8 -1 3845.15 982.804 1\r\n -7 -8 0 32.3505 662.952 5\r\n 7 8 0 1226.83 724.098 1\r\n 7 -8 0 1067.89 765.967 4\r\n 7 8 1 5946.58 1433.39 1\r\n 7 -8 -1 4432.84 1311.74 5\r\n 7 -8 -2 5107.51 1387.19 5\r\n 7 8 2 3633.95 1266.08 1\r\n 7 -8 -3 1554.55 1194.53 5\r\n -7 -8 3-612.033 852.189 2\r\n 7 8 3 1502.57 1056.83 1\r\n -7 -9 -2-21.5017 1022.38 5\r\n 7 -9 2 2016.81 1401.34 4\r\n 7 9 -2 1911.38 1122.71 7\r\n 7 -9 1 2865.65 1471.82 4\r\n 7 9 -1 3729.09 1379.83 7\r\n 7 -9 0 2923.41 1178.25 5\r\n 7 9 0 3606.22 1104.29 1\r\n 7 -9 -1 1780.91 1331.88 5\r\n 7 9 1 2363.40 1217.57 1\r\n 7 -9 -2 2070.91 835.774 5\r\n 7 9 2 422.367 1010.33 1\r\n 8 0 0 17641.9 1251.13 2\r\n -8 0 0 15640.7 1180.00 2\r\n -8 0 0 18078.4 1266.27 4\r\n 8 0 1 1079.42 376.324 2\r\n -8 0 1 1022.27 491.947 2\r\n -8 0 -1 628.794 312.455 2\r\n -8 0 -1 1397.56 521.519 4\r\n 8 0 -1 2213.98 488.461 7\r\n -8 0 1 1193.98 380.515 4\r\n -8 0 -1 615.654 389.189 6\r\n 8 0 -1 926.402 414.543 4\r\n -8 0 2 488290. 6853.97 7\r\n -8 0 -2 471549. 7776.41 4\r\n -8 0 2 456503. 6298.39 4\r\n 8 0 -2 458317. 5744.42 1\r\n 8 0 -2 453708. 7069.71 7\r\n 8 0 2 458461. 5109.61 2\r\n -8 0 -2 441064. 6044.89 6\r\n 8 0 -2 442568. 6896.29 4\r\n -8 0 2 448686. 7489.58 2\r\n 8 0 -2 433520. 5543.54 5\r\n 8 0 -3 12412.0 1111.61 1\r\n -8 0 -3 15679.8 1669.01 4\r\n 8 0 3 14910.7 1628.24 4\r\n 8 0 3 13612.1 1373.88 7\r\n -8 0 3 12748.1 1245.57 4\r\n -8 0 3 12695.1 1373.73 7\r\n 8 0 -3 12150.0 1514.38 7\r\n 8 0 -3 12716.6 1488.31 2\r\n -8 0 -3 11930.0 1045.91 6\r\n -8 0 3 10701.4 1393.14 2\r\n 8 0 -3 11510.6 1210.41 5\r\n 8 0 3 13731.5 852.487 2\r\n -8 0 4 5526.05 1189.36 2\r\n 8 0 -4 6280.44 1112.15 5\r\n -8 0 -4 6548.05 1629.18 3\r\n 8 0 4 6253.59 544.186 2\r\n 8 0 -4 4096.56 1190.92 7\r\n 8 0 4 5410.85 1221.72 4\r\n 8 0 -4 6560.10 1267.00 2\r\n 8 0 -4 5234.82 845.206 1\r\n 8 0 4 5619.14 1160.96 7\r\n -8 0 4 5954.05 1052.93 4\r\n -8 0 5-30.7981 643.493 2\r\n 8 0 -5-103.971 873.424 5\r\n 8 0 5 131.112 155.938 2\r\n 8 0 -5 379.621 1010.61 7\r\n 8 0 5 16.2818 144.889 2\r\n -8 0 5-529.227 448.229 4\r\n 8 0 5-361.175 924.563 4\r\n 8 0 6 15212.7 2236.90 4\r\n -8 0 6 13862.8 1980.68 2\r\n 8 0 -6 12929.2 2426.38 7\r\n 8 0 -6 14947.7 2122.91 5\r\n 8 0 -7 3220.16 1311.76 5\r\n 8 0 -7 2155.42 1345.08 7\r\n 8 0 7 3083.36 1166.54 4\r\n -8 0 7 1774.80 920.417 2\r\n 8 1 -7 617.431 1109.15 7\r\n 8 -1 7 1239.06 1029.31 4\r\n -8 1 7 1058.04 592.024 2\r\n 8 1 -7 790.290 687.868 5\r\n 8 1 -6 8463.25 1632.67 5\r\n 8 1 -6 6613.33 1805.03 7\r\n 8 -1 6 10428.1 1941.81 4\r\n -8 1 6 7971.90 1487.63 2\r\n 8 -1 5 47992.6 2603.20 6\r\n 8 -1 5 47036.3 3521.57 4\r\n 8 1 -5 49498.5 3909.71 7\r\n -8 1 5 44679.5 2487.05 4\r\n -8 1 5 45926.1 3114.34 2\r\n 8 1 -5 50345.0 3069.57 5\r\n -8 -1 -4 12407.6 1598.62 4\r\n -8 -1 -4 12234.8 2181.20 3\r\n 8 -1 4 9893.45 1606.42 4\r\n -8 1 4 11496.2 1169.19 4\r\n -8 1 4 11997.8 1569.80 2\r\n 8 -1 4 9970.95 1228.74 6\r\n 8 -1 4 14445.7 1650.67 7\r\n 8 1 -4 10822.7 1643.87 2\r\n 8 1 -4 10858.0 1278.21 5\r\n 8 1 -4 8829.55 1565.28 7\r\n -8 -1 -3 51057.3 3563.62 3\r\n -8 1 3 49971.2 2758.44 2\r\n 8 1 -3 48706.0 1814.17 1\r\n -8 -1 -3 48880.3 2807.91 4\r\n 8 -1 3 48298.5 2876.23 4\r\n -8 1 3 48403.9 2010.61 4\r\n 8 -1 3 48938.1 2494.03 7\r\n -8 1 3 50285.7 2614.76 7\r\n -8 -1 -3 47411.3 1629.70 6\r\n 8 -1 3 44212.9 2323.19 6\r\n 8 1 -3 50053.4 2958.19 2\r\n 8 1 -3 49133.3 2869.46 7\r\n 8 1 -3 45960.7 2077.14 5\r\n -8 -1 -2 62206.9 3273.23 3\r\n 8 1 -2 62435.2 2706.92 7\r\n -8 -1 -2 66019.2 2883.83 4\r\n -8 1 2 59661.3 2039.33 4\r\n 8 -1 2 64037.7 2185.08 2\r\n 8 -1 2 56532.0 2141.25 7\r\n -8 1 2 65591.0 2846.03 2\r\n 8 -1 2 61779.8 2632.49 6\r\n -8 -1 -2 61719.2 2119.88 6\r\n -8 1 2 66577.0 2449.98 7\r\n 8 1 -2 60942.6 1815.24 5\r\n -8 -1 -1 16161.1 1334.58 4\r\n -8 1 1 16851.7 1113.99 4\r\n 8 -1 1 14677.7 1114.46 2\r\n -8 1 1 13791.5 1256.02 2\r\n 8 1 -1 11983.1 1156.41 7\r\n -8 1 1 14278.5 973.845 7\r\n -8 -1 -1 15663.4 1038.93 2\r\n -8 1 0 5041.48 710.586 4\r\n 8 -1 0 5112.40 727.585 4\r\n -8 1 0 5666.62 792.722 2\r\n -8 -1 0 5192.14 773.816 2\r\n -8 -1 0 4664.27 704.121 4\r\n 8 1 0 5330.04 772.900 2\r\n -8 1 0 4331.80 807.418 6\r\n -8 -1 1 14966.5 1249.07 4\r\n 8 -1 -1 15726.3 1088.28 4\r\n 8 -1 -1 14281.6 1018.38 7\r\n -8 -1 1 14014.7 1322.50 2\r\n -8 1 -1 17354.7 1425.54 4\r\n 8 1 1 14271.9 1048.43 2\r\n -8 1 -1 16105.6 1365.75 6\r\n 8 1 1 16806.5 1235.04 5\r\n 8 -1 -2 58475.5 2788.40 2\r\n -8 1 -2 60721.1 2966.27 4\r\n -8 1 -2 55714.6 2462.69 6\r\n 8 -1 -2 63309.9 2435.19 1\r\n 8 1 2 62522.3 2688.65 4\r\n -8 -1 2 55344.1 2838.21 2\r\n 8 1 2 63751.0 1739.68 2\r\n 8 1 2 61790.8 2860.25 5\r\n 8 -1 -2 62983.4 2240.70 4\r\n 8 -1 -2 66494.0 2711.62 7\r\n -8 -1 2 59106.0 2598.84 4\r\n 8 -1 -2 57740.5 2336.92 5\r\n 8 -1 -3 47874.8 2775.47 2\r\n 8 -1 -3 48166.0 2352.87 1\r\n 8 1 3 48697.3 2662.17 4\r\n 8 -1 -3 47496.6 2794.59 7\r\n -8 -1 3 43594.8 2756.39 2\r\n -8 1 -3 48053.6 2372.87 6\r\n 8 1 3 54677.4 3081.05 5\r\n -8 -1 3 47131.4 2648.08 4\r\n 8 -1 -3 48385.5 2509.77 5\r\n 8 1 4 10759.8 1557.35 4\r\n -8 1 -4 5101.77 1765.03 3\r\n 8 -1 -4 12400.0 1603.75 2\r\n -8 -1 4 10093.2 1481.08 4\r\n -8 -1 4 11271.9 1611.57 2\r\n 8 -1 -4 11836.6 1785.15 7\r\n 8 -1 -4 12227.1 1325.85 1\r\n 8 -1 -4 10404.3 1495.18 5\r\n 8 1 5 45267.2 3204.14 4\r\n 8 -1 -5 42425.6 3656.41 7\r\n -8 -1 5 43440.3 3259.40 2\r\n 8 -1 -5 46343.2 3356.18 5\r\n -8 -1 5 46365.4 2734.56 5\r\n 8 -1 -6 8901.13 1893.52 5\r\n -8 -1 6 5809.39 1524.26 2\r\n 8 1 6 9349.17 1780.56 4\r\n 8 -1 -6 9488.41 2147.67 7\r\n -8 -1 7 5155.41 1330.48 2\r\n 8 -1 -7 3462.43 1322.43 7\r\n 8 1 7 3413.37 1243.84 4\r\n -8 2 7 5255.28 1166.60 1\r\n 8 2 -7 4839.98 1670.19 7\r\n 8 -2 7 6527.00 1879.43 4\r\n 8 -2 6 884.536 566.028 2\r\n 8 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-2 -3 36992.8 1201.59 6\r\n 8 -2 3 37804.1 2434.54 6\r\n 8 -2 3 38209.8 2641.11 5\r\n -8 -2 -3 39299.7 2692.19 5\r\n 8 2 -3 39228.5 1592.14 5\r\n -8 2 3 37852.3 2334.16 7\r\n -8 -2 -2 25589.2 2230.75 3\r\n 8 -2 2 30024.0 1507.94 7\r\n -8 2 2 30708.5 2139.85 6\r\n -8 -2 -2 31130.2 2049.26 4\r\n -8 2 2 29239.4 1276.35 4\r\n -8 2 2 30820.1 1712.93 7\r\n 8 2 -2 31360.5 2053.98 7\r\n -8 -2 -2 31619.0 1231.98 2\r\n 8 -2 2 30796.1 2108.10 6\r\n -8 2 2 31764.4 2021.44 2\r\n -8 -2 -2 27028.0 1942.18 5\r\n 8 2 -2 28426.4 854.881 5\r\n -8 2 1 227720. 3941.67 4\r\n 8 -2 1 238793. 5234.98 4\r\n -8 -2 -1 242453. 5155.71 4\r\n -8 2 1 240216. 3395.44 7\r\n -8 -2 -1 233698. 4231.69 2\r\n -8 2 1 238916. 5559.09 6\r\n 8 -2 1 231338. 2659.24 7\r\n -8 -2 0 99816.9 3217.12 2\r\n -8 2 0 100480. 3061.37 4\r\n 8 -2 0 94329.3 2853.59 4\r\n -8 -2 0 99932.0 3314.69 4\r\n 8 -2 0 100129. 1533.52 7\r\n -8 2 0 102329. 3601.95 6\r\n 8 2 0 99517.0 3269.58 2\r\n 8 2 0 102920. 2347.26 5\r\n -8 2 -1 238423. 5445.17 4\r\n 8 -2 -1 231646. 3793.37 4\r\n -8 -2 1 243286. 5336.75 4\r\n 8 -2 -1 249983. 3934.36 7\r\n 8 -2 -1 247169. 4916.34 1\r\n -8 -2 1 232115. 5439.93 2\r\n -8 2 -1 227211. 5395.03 6\r\n 8 2 1 238402. 5080.29 4\r\n 8 2 1 230715. 4598.38 5\r\n -8 2 -1 237623. 5897.84 3\r\n -8 2 -2 30091.4 2563.84 3\r\n 8 -2 -2 32246.8 1949.66 1\r\n 8 2 2 31544.1 1978.12 4\r\n -8 -2 2 30880.9 2134.26 4\r\n 8 -2 -2 28196.0 2051.08 2\r\n -8 -2 2 27192.2 2145.13 2\r\n -8 2 -2 30887.8 2089.68 6\r\n 8 -2 -2 29910.7 1871.34 7\r\n 8 -2 -2 29397.0 1310.76 4\r\n 8 2 2 32580.2 2159.02 5\r\n 8 -2 -2 31332.8 1952.36 5\r\n 8 -2 -3 38362.9 2371.80 1\r\n -8 2 -3 37034.4 3325.30 3\r\n 8 2 3 37373.4 2274.94 4\r\n -8 -2 3 32228.6 2498.08 4\r\n -8 -2 3 33939.0 2578.17 2\r\n -8 2 -3 36067.7 2390.40 6\r\n 8 -2 -3 36618.0 2495.39 7\r\n 8 -2 -3 37076.8 2489.87 2\r\n 8 2 3 38071.7 2674.71 5\r\n 8 -2 -3 35081.6 2377.78 5\r\n -8 -2 4 18465.4 2152.03 2\r\n 8 2 4 18504.0 1854.77 4\r\n 8 -2 -4 16190.9 1963.27 7\r\n 8 -2 -4 17610.4 1881.62 2\r\n 8 -2 -4 19351.4 1826.19 1\r\n 8 -2 -4 18336.9 2048.88 5\r\n -8 -2 4 19894.4 1408.76 5\r\n 8 -2 -5 330.433 760.983 5\r\n -8 -2 5 241.952 700.953 5\r\n -8 -2 5 3104.15 1088.95 2\r\n 8 -2 -5-158.738 1082.71 7\r\n 8 2 5 1141.97 855.817 4\r\n 8 -2 -6 992.916 1138.94 5\r\n -8 -2 6 610.804 949.599 2\r\n 8 -2 -6 271.861 1247.08 7\r\n 8 2 6-424.093 1015.69 4\r\n 8 -2 -7 1367.52 1390.19 5\r\n -8 -2 7 6083.76 1595.74 2\r\n 8 -2 -7 5205.05 1835.22 7\r\n 8 2 7 5289.40 1444.20 4\r\n 8 -3 6 659.651 1442.98 4\r\n 8 3 -6 972.213 732.590 7\r\n -8 3 6 2303.12 814.989 6\r\n -8 3 6 1077.56 977.327 1\r\n -8 -3 -6 261.774 889.990 5\r\n -8 -3 -5 2088.00 1090.16 5\r\n -8 3 5 3302.75 1163.51 1\r\n 8 -3 5 4631.65 1400.50 4\r\n 8 3 -5 2887.32 1301.80 7\r\n -8 3 5 2275.17 894.810 6\r\n -8 -3 -4 73440.6 4842.27 3\r\n 8 -3 4 67978.8 4279.21 4\r\n -8 -3 -4 70830.7 3581.77 4\r\n 8 -3 4 63853.1 3160.69 7\r\n -8 3 4 66052.0 3432.19 1\r\n -8 3 4 68276.2 3582.71 6\r\n 8 -3 4 66273.1 3751.40 6\r\n -8 -3 -4 66458.8 4052.93 5\r\n 8 3 -4 71556.8 4215.95 7\r\n -8 -3 -3 7931.59 1361.32 5\r\n 8 3 -3 6544.66 375.860 1\r\n -8 3 3 7285.11 1170.10 1\r\n 8 -3 3 6538.42 909.568 7\r\n -8 -3 -3 7126.06 1442.85 3\r\n -8 -3 -3 9118.46 1238.98 4\r\n 8 3 -3 7431.45 1283.61 7\r\n 8 -3 3 6619.21 1345.42 4\r\n -8 3 3 7428.22 1163.46 7\r\n 8 -3 3 8443.35 1346.14 6\r\n -8 3 3 7945.36 1273.80 6\r\n -8 -3 -2 6337.59 1208.34 3\r\n -8 -3 -2 8251.61 1131.77 4\r\n -8 3 2 6610.15 886.918 7\r\n 8 -3 2 7912.18 700.523 7\r\n -8 -3 -2 8829.61 831.966 2\r\n 8 3 -2 7521.83 1168.27 7\r\n 8 -3 2 8456.82 1310.73 4\r\n 8 -3 2 7495.94 1229.25 6\r\n -8 3 2 6858.34 1117.65 6\r\n -8 -3 -2 7928.04 1163.96 5\r\n -8 -3 -1 1196.62 473.873 5\r\n 8 -3 1 1890.33 654.866 4\r\n -8 -3 -1 1670.23 545.513 2\r\n -8 3 1 1775.52 350.121 7\r\n -8 -3 -1 2278.82 654.586 4\r\n -8 3 1 2213.48 752.200 6\r\n 8 -3 0 131134. 3578.52 4\r\n -8 -3 0 132806. 4102.69 4\r\n -8 3 0 128796. 4455.42 6\r\n -8 -3 0 124160. 3929.48 2\r\n 8 -3 0 123353. 3646.53 1\r\n 8 3 0 122599. 2536.10 5\r\n 8 3 1 1563.96 532.200 5\r\n -8 3 -1 1370.18 621.526 3\r\n -8 -3 1 1101.17 718.708 2\r\n 8 -3 -1 1517.16 514.754 1\r\n 8 -3 -1 2013.80 468.333 4\r\n -8 3 -1 2041.28 745.817 6\r\n 8 3 1 1940.75 741.959 4\r\n -8 -3 1 1529.79 541.496 4\r\n 8 -3 -2 7536.43 1169.62 5\r\n -8 3 -2 8591.41 1564.15 3\r\n -8 -3 2 6768.54 1239.97 2\r\n 8 -3 -2 8130.63 964.717 7\r\n 8 -3 -2 6999.15 1106.24 1\r\n -8 3 -2 7860.35 1221.26 6\r\n 8 -3 -2 7852.10 594.841 4\r\n 8 -3 -2 8022.38 1141.28 2\r\n 8 3 2 7972.99 1132.55 4\r\n -8 -3 2 7658.47 1254.54 4\r\n 8 3 2 7755.00 1127.62 5\r\n 8 3 3 7417.54 1346.05 5\r\n 8 -3 -3 6722.25 1260.88 5\r\n -8 3 -3 5624.69 1584.39 3\r\n 8 -3 -3 7335.05 1181.00 7\r\n -8 3 -3 6333.13 1163.86 6\r\n -8 -3 3 4990.25 1196.93 2\r\n 8 3 3 6630.55 1107.98 4\r\n 8 -3 -3 9490.60 1336.99 2\r\n 8 -3 -3 6826.93 1218.63 1\r\n 8 -3 -4 62273.6 3618.02 2\r\n 8 3 4 68723.0 3390.39 4\r\n 8 -3 -4 67359.8 3905.17 7\r\n -8 -3 4 61856.8 3986.34 2\r\n 8 -3 -4 65673.3 3901.63 5\r\n -8 -3 4 70704.0 2188.81 5\r\n 8 -3 -5 3301.93 1201.17 5\r\n -8 -3 5 3698.94 1000.23 2\r\n 8 -3 -5 3400.68 1350.17 7\r\n 8 3 5 3965.11 1061.93 4\r\n 8 -3 -6 2357.84 1024.20 5\r\n -8 -3 6 1931.54 1193.67 2\r\n 8 3 6 1954.25 914.610 4\r\n -8 -4 -6 2547.32 1027.10 5\r\n 8 -4 6 2019.97 1355.45 4\r\n -8 4 6 2778.74 1224.83 1\r\n 8 4 -6 2243.07 1390.13 7\r\n -8 -4 -5 1760.62 841.807 5\r\n 8 -4 5 464.036 1259.15 4\r\n 8 4 -5-96.5723 1140.84 7\r\n -8 4 5 1986.82 767.757 6\r\n -8 4 5 2394.71 1136.20 1\r\n -8 -4 -4 3902.18 1261.07 5\r\n 8 4 -4 3553.77 1348.31 7\r\n -8 -4 -4 492.350 1056.11 3\r\n -8 -4 -4 4363.93 819.948 4\r\n 8 -4 4 5721.81 1554.51 4\r\n -8 4 4 5193.74 1347.50 1\r\n -8 4 4 4487.13 1136.22 6\r\n 8 -4 4 5702.46 1008.89 7\r\n -8 -4 -3 19764.2 2316.35 3\r\n 8 4 -3 19746.0 2152.44 7\r\n 8 -4 3 21251.1 2432.49 4\r\n -8 -4 -3 20686.7 1889.60 4\r\n -8 4 3 22281.6 1959.77 7\r\n 8 -4 3 20983.0 1410.93 7\r\n -8 4 3 20457.9 2015.71 1\r\n -8 -4 -3 21071.4 1185.79 2\r\n -8 -4 -3 21442.2 1256.50 6\r\n -8 4 3 20119.5 2058.09 6\r\n -8 -4 -3 19210.1 2178.10 5\r\n -8 -4 -2 17124.3 1836.39 3\r\n 8 -4 2 18311.1 2030.63 4\r\n -8 -4 -2 20746.7 1768.68 4\r\n -8 -4 -2 20606.1 1487.32 2\r\n -8 4 2 17018.0 1406.60 7\r\n 8 4 -2 18823.6 1825.34 7\r\n -8 4 2 19892.5 2005.51 6\r\n -8 -4 -2 20423.8 1877.08 5\r\n -8 4 1 41006.4 1518.13 7\r\n 8 -4 1 42145.0 2595.26 4\r\n -8 -4 -1 39227.4 2453.23 4\r\n -8 4 1 39231.4 2761.28 6\r\n 8 -4 1 39757.2 2251.10 1\r\n -8 -4 -1 40620.5 2327.19 2\r\n -8 -4 -1 40732.2 2197.84 5\r\n -8 4 0 101197. 3621.37 3\r\n 8 4 0 108268. 4453.78 4\r\n 8 -4 0 104442. 3461.82 4\r\n 8 -4 0 103697. 3695.05 1\r\n -8 4 0 107812. 4448.04 6\r\n -8 -4 0 103405. 4043.25 2\r\n -8 -4 0 110484. 4092.23 4\r\n -8 -4 0 105015. 2673.83 5\r\n 8 4 0 106336. 2430.27 5\r\n -8 4 -1 40406.6 2711.34 3\r\n 8 -4 -1 44770.2 2581.19 1\r\n -8 -4 1 38907.9 2740.00 2\r\n 8 -4 -1 39311.2 1758.72 4\r\n 8 -4 -1 41161.4 2519.87 2\r\n 8 4 1 40923.6 2618.90 4\r\n 8 -4 -1 41324.9 2801.53 6\r\n -8 4 -1 38343.0 2823.66 6\r\n -8 -4 1 42413.1 2731.07 4\r\n 8 4 1 39169.4 2056.39 5\r\n -8 4 -2 20183.6 2324.18 3\r\n 8 -4 -2 19064.5 1848.76 2\r\n 8 -4 -2 20552.8 852.357 4\r\n 8 4 2 19900.9 1803.25 4\r\n -8 4 -2 20043.2 2124.94 6\r\n -8 -4 2 21252.8 2184.69 2\r\n 8 4 2 20404.7 1828.76 5\r\n 8 -4 -2 20637.2 1958.33 5\r\n -8 -4 3 19446.6 2314.09 2\r\n 8 4 3 19259.1 1823.76 4\r\n 8 -4 -3 22168.5 2248.72 5\r\n 8 4 4 5618.99 1228.90 4\r\n 8 -4 -4 5262.53 1431.63 5\r\n -8 -4 4 4234.66 1358.34 2\r\n 8 -4 -5 557.101 1063.13 5\r\n -8 -4 5 1689.37 1044.24 2\r\n 8 4 5 2533.04 766.129 4\r\n 8 -4 -6 2853.07 1605.17 5\r\n -8 -4 6 5021.05 1371.70 2\r\n -8 -5 -6 4109.23 1739.84 5\r\n 8 -5 6-715.017 1588.24 4\r\n 8 5 -6 5081.86 1572.96 7\r\n -8 5 6 1944.07 1248.33 1\r\n -8 -5 -5 2999.93 1200.73 5\r\n 8 -5 5 2415.33 1361.91 4\r\n -8 5 5 4908.62 1018.85 6\r\n 8 5 -5 4306.64 1325.81 7\r\n -8 5 5 3803.47 1291.98 1\r\n -8 -5 -4 1815.40 972.191 5\r\n 8 -5 4 169.223 813.615 4\r\n 8 5 -4 1147.45 756.338 7\r\n -8 -5 -4 508.885 653.648 4\r\n -8 5 4 625.665 785.041 1\r\n -8 5 4 729.777 768.794 6\r\n 8 5 -3 24104.2 2455.04 7\r\n -8 -5 -3 24076.1 2494.63 3\r\n 8 -5 3 24318.7 2703.31 4\r\n -8 -5 -3 24938.2 2095.34 4\r\n -8 5 3 27361.5 2272.35 7\r\n 8 -5 3 22936.3 1772.14 1\r\n -8 5 3 21707.9 2269.40 6\r\n -8 -5 -3 26035.6 1662.25 2\r\n -8 5 3 24326.2 2331.64 1\r\n -8 -5 -3 25812.2 1672.31 6\r\n -8 -5 -3 23279.9 2390.31 5\r\n -8 -5 -2 27882.4 2274.30 3\r\n 8 -5 2 25796.8 2540.64 4\r\n -8 -5 -2 27022.1 2121.80 4\r\n 8 -5 2 25362.1 1960.66 1\r\n -8 5 2 27198.2 1851.21 7\r\n -8 -5 -2 28442.4 2072.06 2\r\n -8 5 2 25545.6 2463.27 6\r\n 8 5 -2 29678.0 2494.43 7\r\n -8 -5 -2 27836.5 2326.28 5\r\n 8 5 -2 25552.0 1312.69 1\r\n 8 -5 1 23396.8 2145.54 4\r\n 8 -5 1 25866.3 1987.32 1\r\n -8 -5 -1 21441.5 1934.05 4\r\n -8 5 1 24657.3 1307.38 7\r\n -8 5 1 23128.9 2361.60 6\r\n -8 -5 -1 24460.9 1887.92 5\r\n -8 -5 0 445.627 414.610 5\r\n -8 5 0 525.086 465.264 3\r\n 8 -5 0 649.470 547.115 1\r\n 8 -5 0 928.518 489.697 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1232.75 5\r\n 8 -6 4 2670.11 1307.92 4\r\n -8 6 4 1868.49 1180.03 1\r\n 8 6 -4 874.400 880.177 7\r\n -8 6 4 494.638 513.141 6\r\n -8 -6 -3 2502.04 978.987 5\r\n 8 6 -3 1194.75 952.792 7\r\n 8 -6 3 1111.52 639.465 1\r\n -8 -6 -3 1382.01 892.122 3\r\n -8 6 3 3412.29 914.901 7\r\n -8 6 3 2856.38 1117.54 6\r\n 8 -6 3 1459.82 1284.67 4\r\n -8 -6 -3 2302.21 841.362 4\r\n -8 -6 -3 2085.06 714.156 2\r\n -8 6 3 1275.26 824.065 1\r\n -8 -6 -2 4438.67 1172.28 5\r\n -8 -6 -2 5369.54 1153.33 3\r\n 8 6 -2 5267.57 734.902 1\r\n 8 -6 2 6115.91 1504.20 4\r\n -8 6 2 5520.25 972.471 7\r\n 8 6 -2 5817.63 1444.27 7\r\n -8 -6 -2 5766.59 1202.57 4\r\n -8 -6 -2 5730.90 1070.12 6\r\n -8 6 2 5491.24 1415.21 6\r\n -8 6 1 28346.1 1596.84 3\r\n 8 -6 1 27660.3 2554.77 4\r\n -8 6 1 30012.2 1589.04 7\r\n -8 6 1 23037.1 2602.67 6\r\n -8 -6 -1 25622.4 2099.75 5\r\n 8 6 -1 27029.1 1868.86 1\r\n -8 6 0 19535.7 1691.83 3\r\n 8 6 0 16168.9 1646.04 1\r\n 8 -6 0 17051.0 1772.92 4\r\n -8 6 0 16146.1 2286.87 6\r\n -8 -6 0 16571.3 1429.37 5\r\n 8 -6 -1 28834.6 1874.02 4\r\n -8 6 -1 26954.5 2857.18 6\r\n -8 -6 1 30186.4 1359.18 5\r\n 8 -6 -2 5935.90 603.355 4\r\n 8 -6 -2 4980.84 1278.44 5\r\n 8 -6 -2 5427.40 539.112 4\r\n -8 6 -2 6142.66 564.476 7\r\n -8 -6 2 5765.66 1500.15 2\r\n 8 6 2 5344.16 1374.40 4\r\n 8 -6 -3 632.580 911.449 5\r\n -8 6 -3 1800.27 530.013 7\r\n -8 -6 3 2879.18 1362.11 2\r\n 8 6 3 499.126 845.711 4\r\n 8 -6 -4 2957.01 1219.68 5\r\n -8 6 -4 1143.02 593.887 7\r\n 8 6 4 667.912 1013.67 1\r\n -8 -6 4 1858.10 1127.19 2\r\n 8 6 4 935.502 777.287 4\r\n 8 -6 -5 1354.28 964.267 5\r\n 8 6 5 915.014 721.909 1\r\n -8 -7 -4 4674.76 1405.36 5\r\n 8 -7 4 4509.03 1813.28 4\r\n 8 7 -4 3761.11 1375.25 7\r\n -8 7 4 6715.37 1664.00 1\r\n -8 7 4 6601.12 1499.04 6\r\n -8 -7 -3 5703.27 1417.94 5\r\n 8 -7 3 6167.72 1862.47 4\r\n -8 7 3 5878.96 1457.31 1\r\n -8 7 3 4509.09 1550.10 6\r\n 8 7 -3 3932.22 1252.27 7\r\n -8 -7 -3 5065.56 1181.31 2\r\n -8 -7 -2 13117.8 1915.61 5\r\n 8 7 -2 15397.3 1291.75 1\r\n 8 7 -2 16122.3 2084.43 7\r\n 8 -7 2 14165.3 2345.42 4\r\n -8 7 2 13426.4 2203.96 6\r\n -8 -7 -1 775.603 596.184 5\r\n 8 7 -1 610.240 467.503 1\r\n 8 -7 1 1097.66 863.553 4\r\n -8 7 1 624.311 789.973 6\r\n -8 -7 0 3897.50 859.606 5\r\n -8 7 0 4799.65 1280.77 6\r\n 8 7 0 4906.85 1030.97 1\r\n 8 -7 0 3771.64 983.886 4\r\n -8 -7 1 661.266 253.030 5\r\n 8 -7 -1 162.591 568.117 4\r\n 8 7 1 1125.13 718.930 1\r\n 8 -7 -2 15548.2 2303.47 5\r\n -8 -7 2 18510.2 2733.36 2\r\n 8 7 2 16525.4 2207.93 1\r\n 8 -7 -3 7228.87 1759.65 5\r\n 8 7 3 3985.86 1270.52 1\r\n -8 -7 3 6888.30 1808.26 2\r\n 8 -7 -4 5905.04 1563.96 5\r\n 8 7 4 3893.15 1499.19 1\r\n -8 -7 4 4364.76 1677.30 2\r\n -8 -8 -3 666.035 665.009 5\r\n 8 -8 3 85.3721 1232.80 4\r\n 8 8 -3-948.553 1011.96 7\r\n -8 8 3-448.170 557.098 6\r\n -8 -8 -2-134.301 561.124 5\r\n 8 -8 2 765.113 1256.32 4\r\n 8 8 -2 135.050 1046.34 7\r\n -8 8 2-286.737 1120.78 6\r\n -8 -8 -1 7385.84 1486.44 5\r\n 8 -8 1 9976.40 1819.99 4\r\n 8 8 -1 8243.69 1292.21 1\r\n -8 -8 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484.411 4\r\n -9 0 -2 741.234 465.901 6\r\n 9 0 -2 1420.12 636.919 4\r\n 9 0 2 940.256 394.301 2\r\n -9 0 -3 33604.3 3029.41 3\r\n 9 0 -3 33216.6 1793.00 1\r\n -9 0 3 32964.0 2214.67 7\r\n -9 0 -3 33783.6 2487.78 4\r\n 9 0 3 32192.2 2329.78 4\r\n -9 0 -3 31952.4 1766.04 6\r\n 9 0 3 29136.1 2009.74 7\r\n -9 0 3 33770.9 1994.30 4\r\n 9 0 -3 35176.0 2458.04 7\r\n 9 0 3 32284.3 1416.68 2\r\n -9 0 3 30753.6 2317.65 2\r\n 9 0 -3 34007.1 2454.13 2\r\n 9 0 -3 33414.1 1966.97 5\r\n -9 0 -4 13843.9 2378.13 3\r\n 9 0 4 15717.0 1861.60 4\r\n -9 0 4 13096.5 1494.36 4\r\n -9 0 4 13281.3 1730.86 2\r\n 9 0 4 14579.7 853.986 2\r\n 9 0 -4 14620.2 1892.74 7\r\n 9 0 -4 13382.9 1554.65 5\r\n 9 0 -4 13801.4 1288.49 1\r\n -9 0 5 444.535 635.222 2\r\n 9 0 -5 62.6454 602.533 5\r\n 9 0 -5 494.056 767.012 7\r\n 9 0 5 1068.02 999.328 4\r\n -9 0 5 556.958 507.589 4\r\n 9 0 -6 1591.14 896.864 5\r\n 9 0 -6-119.597 1185.30 7\r\n 9 0 6-72.1309 870.440 4\r\n -9 0 6 524.693 724.529 2\r\n 9 0 -7-645.773 752.877 5\r\n 9 0 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28078.3 1968.28 7\r\n -9 1 3 26079.6 2098.56 2\r\n -9 -1 -3 26628.5 1416.43 6\r\n 9 1 -3 26639.9 2300.65 2\r\n 9 -1 3 28620.3 1975.39 6\r\n 9 -1 3 25486.3 1828.57 7\r\n 9 1 -3 25302.6 1569.32 5\r\n -9 -1 -2 820.857 776.520 3\r\n 9 1 -2 285.838 265.660 5\r\n 9 -1 2 507.092 374.284 7\r\n 9 -1 2 323.906 390.330 2\r\n -9 -1 -2 1368.53 483.202 4\r\n 9 1 -2 373.677 642.342 7\r\n -9 1 2 540.503 446.868 7\r\n -9 1 2 534.431 290.792 4\r\n -9 -1 -2 687.574 278.783 2\r\n -9 -1 -2 672.765 436.550 6\r\n 9 -1 2 719.732 493.089 6\r\n -9 1 2 1020.35 759.115 2\r\n 9 1 -2 652.900 648.398 4\r\n 9 1 -1 1702.69 661.937 7\r\n -9 -1 -1 1535.14 620.700 4\r\n -9 1 1 1926.52 504.691 4\r\n -9 1 1 1356.07 627.448 2\r\n 9 -1 1 2054.95 547.347 2\r\n -9 -1 -1 2151.57 472.568 2\r\n -9 1 0 27396.6 1648.71 4\r\n 9 -1 0 25175.9 1544.64 4\r\n -9 -1 0 26953.9 1705.53 4\r\n -9 1 0 25283.5 1586.99 2\r\n 9 1 0 26741.2 1683.92 2\r\n -9 -1 0 27838.1 1684.63 2\r\n -9 1 0 28219.6 1923.73 6\r\n -9 -1 1 1406.60 591.415 2\r\n 9 -1 -1 1089.83 415.389 7\r\n -9 1 -1 2286.47 672.712 4\r\n -9 -1 1 1730.24 511.628 4\r\n 9 -1 -1 893.700 478.067 4\r\n 9 1 1 1786.67 492.077 2\r\n -9 1 -1 1398.09 548.795 6\r\n 9 1 1 1826.38 510.681 5\r\n 9 1 2 822.399 474.694 5\r\n -9 -1 2 343.656 619.284 2\r\n 9 -1 -2 565.829 441.232 5\r\n 9 1 2 360.270 313.717 2\r\n -9 1 -2 476.901 402.000 4\r\n 9 1 2 352.460 525.348 4\r\n 9 -1 -2 333.040 481.132 7\r\n -9 1 -2 419.044 481.429 6\r\n -9 -1 2 551.781 421.597 4\r\n 9 -1 -2 374.715 347.847 1\r\n 9 -1 -2 797.358 438.297 4\r\n 9 -1 -3 29211.6 1891.36 1\r\n 9 -1 -3 26700.9 2155.23 2\r\n 9 1 3 27557.4 2136.23 4\r\n 9 -1 -3 23091.6 2049.67 7\r\n -9 -1 3 26288.5 2010.25 4\r\n -9 -1 3 25705.7 2062.27 7\r\n -9 -1 3 25716.1 2219.89 2\r\n -9 1 -3 24134.9 1786.14 6\r\n 9 1 3 24139.0 853.832 2\r\n 9 1 3 26953.1 2272.12 5\r\n 9 -1 -3 26844.1 1951.99 5\r\n -9 1 -4 21532.6 2966.41 3\r\n 9 1 4 20788.0 2135.59 4\r\n -9 -1 4 21772.3 2110.80 4\r\n 9 -1 -4 25613.0 2400.33 2\r\n 9 -1 -4 19621.7 2249.65 7\r\n -9 -1 4 21815.9 2276.96 2\r\n 9 -1 -4 20751.9 2054.26 5\r\n 9 -1 -4 22505.9 1826.06 1\r\n 9 -1 -5 8784.61 1672.40 5\r\n -9 -1 5 9453.24 1799.14 2\r\n 9 1 5 8286.89 1577.22 4\r\n 9 -1 -5 8357.33 1908.55 7\r\n 9 -1 -6 6351.56 1508.19 5\r\n -9 -1 6 6379.87 1415.35 2\r\n 9 -1 -6 6416.07 1810.67 7\r\n 9 1 6 6187.95 1556.65 4\r\n -9 -1 7 2555.59 975.812 2\r\n 9 -1 -7 5520.80 1490.53 5\r\n 9 -1 -7 1732.91 1327.73 7\r\n 9 1 7 3312.67 1388.16 4\r\n 9 2 -7-65.1027 1176.29 7\r\n 9 -2 7 26.3694 1134.94 4\r\n -9 2 7-456.598 532.312 2\r\n 9 2 -6 2253.34 1003.52 7\r\n 9 -2 6 1777.71 1255.25 4\r\n -9 2 6 2353.07 766.261 2\r\n -9 2 6-635.008 664.127 6\r\n -9 -2 -6 1300.78 858.201 5\r\n 9 2 -6 128.229 856.818 5\r\n 9 2 -5 9082.10 1794.06 7\r\n -9 2 5 8221.14 843.666 4\r\n 9 -2 5 7931.51 1785.13 4\r\n -9 2 5 8296.65 1414.89 2\r\n 9 -2 5 9784.47 1487.79 6\r\n 9 2 -5 9150.27 1285.65 5\r\n -9 -2 -5 8027.80 1691.08 5\r\n 9 2 -4 1498.44 546.670 5\r\n -9 -2 -4 2318.88 1199.11 3\r\n 9 -2 4 1382.09 805.478 7\r\n -9 -2 -4 653.014 707.254 4\r\n 9 -2 4 1466.68 993.614 4\r\n 9 2 -4 1011.68 842.259 7\r\n -9 2 4 823.129 354.502 4\r\n -9 2 4 1041.00 696.155 2\r\n 9 -2 4 1262.55 623.138 6\r\n -9 -2 -4 1619.06 888.557 5\r\n -9 -2 -3 9449.69 1835.62 3\r\n 9 2 -3 11059.3 816.316 1\r\n -9 -2 -3 13138.0 1534.38 4\r\n 9 -2 3 10576.1 1628.48 4\r\n -9 2 3 8523.65 772.789 4\r\n 9 -2 3 9872.95 1169.36 7\r\n -9 2 3 10828.1 1408.37 2\r\n -9 -2 -3 9920.58 778.176 6\r\n -9 2 3 10469.7 1294.95 7\r\n 9 -2 3 8821.15 1331.69 6\r\n 9 2 -3 10529.6 1528.38 7\r\n -9 -2 -3 10593.7 1542.88 5\r\n 9 2 -3 11017.9 871.625 5\r\n -9 -2 -2 43680.9 2917.84 3\r\n -9 -2 -2 39638.0 2434.43 4\r\n -9 2 2 42717.2 1692.41 4\r\n 9 -2 2 45830.4 1855.86 7\r\n -9 2 2 44186.3 2432.17 2\r\n -9 2 2 41476.9 1959.78 7\r\n 9 2 -2 44054.4 2518.67 7\r\n -9 -2 -2 43217.8 1577.64 2\r\n 9 -2 2 38114.7 2465.14 6\r\n -9 2 2 41420.1 2600.80 6\r\n -9 -2 -2 45875.0 2518.03 5\r\n 9 2 -2 43520.0 1113.13 5\r\n 9 -2 1 22743.2 1903.78 6\r\n -9 2 1 23012.8 1410.65 4\r\n 9 -2 1 24555.9 1818.16 4\r\n -9 -2 -1 28085.3 1902.95 4\r\n 9 -2 1 24727.9 947.310 7\r\n 9 -2 1 26563.8 1744.20 2\r\n -9 2 1 25983.7 1203.45 7\r\n -9 -2 -1 24843.0 1522.73 2\r\n -9 2 1 24137.4 1967.42 6\r\n 9 2 -1 25892.5 865.769 5\r\n -9 2 0 112581. 3422.80 4\r\n 9 2 0 120473. 3769.73 2\r\n 9 -2 0 112550. 3255.51 4\r\n -9 2 0 108916. 3898.81 6\r\n -9 -2 0 111503. 3678.35 4\r\n 9 -2 0 111166. 1809.78 7\r\n -9 -2 0 113765. 3580.08 2\r\n 9 2 0 113519. 2623.10 5\r\n -9 2 -1 25073.6 1901.13 4\r\n 9 -2 -1 26516.7 1437.10 4\r\n -9 -2 1 25671.8 1855.22 4\r\n 9 -2 -1 26098.8 1364.75 7\r\n -9 -2 1 26569.8 2003.42 2\r\n -9 2 -1 25146.0 1949.10 6\r\n 9 2 1 24597.2 1562.71 2\r\n 9 -2 -1 28601.0 1780.74 1\r\n 9 2 1 24330.6 1607.80 5\r\n -9 2 -2 44869.9 3143.08 3\r\n 9 -2 -2 42468.4 2510.96 2\r\n 9 -2 -2 43669.9 2353.58 1\r\n 9 2 2 41859.8 2371.16 4\r\n -9 -2 2 44629.3 2593.65 4\r\n -9 -2 2 47197.9 2823.36 2\r\n -9 2 -2 43062.3 2527.53 6\r\n 9 -2 -2 43082.9 1722.60 4\r\n 9 2 2 43983.5 2542.97 5\r\n 9 -2 -2 44263.3 2312.64 7\r\n 9 -2 -3 11545.6 1457.79 2\r\n 9 -2 -3 12136.7 1410.95 1\r\n 9 2 3 10967.6 1555.68 5\r\n 9 -2 -3 11573.1 1539.41 7\r\n -9 2 -3 10538.9 1937.08 3\r\n 9 2 3 10530.2 1358.26 4\r\n -9 -2 3 8913.00 1523.01 2\r\n -9 -2 3 10113.1 1432.28 4\r\n -9 2 -3 12881.8 1532.96 6\r\n 9 -2 -3 11029.2 1404.22 5\r\n 9 -2 -4 1071.97 937.883 5\r\n -9 -2 4 995.556 923.174 2\r\n -9 2 -4 171.864 1503.81 3\r\n 9 2 4 1406.00 814.802 4\r\n 9 -2 -4 2702.72 787.926 1\r\n 9 -2 -4 836.702 708.675 7\r\n 9 -2 -5 7305.23 1674.67 7\r\n 9 -2 -5 7248.22 1550.97 5\r\n -9 -2 5 7902.61 1630.21 2\r\n 9 2 5 8502.75 1611.22 4\r\n 9 -2 -6 289.455 1090.44 5\r\n -9 -2 6 1505.06 1047.68 2\r\n 9 -2 -6 1095.01 789.618 7\r\n 9 2 6 1833.12 1083.45 4\r\n 9 -2 -7-855.707 1160.56 5\r\n -9 -2 7 1444.42 889.956 2\r\n 9 2 7-1253.60 1130.18 4\r\n -9 3 6 6029.13 1288.65 1\r\n 9 -3 6 5373.04 1755.89 4\r\n 9 3 -6 3879.90 1357.01 7\r\n -9 3 6 5324.24 1283.78 6\r\n -9 -3 -6 7484.81 1870.78 5\r\n 9 -3 5 5000.11 1529.64 4\r\n -9 3 5 4220.24 1174.10 1\r\n 9 3 -5 4120.03 1510.69 7\r\n -9 3 5 2969.61 985.825 6\r\n -9 -3 -5 4695.76 1403.14 5\r\n -9 -3 -4 3116.43 1122.09 5\r\n -9 -3 -4 3646.91 1560.67 3\r\n -9 3 4 4771.03 1225.48 1\r\n -9 -3 -4 3087.83 984.921 4\r\n 9 -3 4 3969.51 1461.04 4\r\n 9 -3 4 3055.91 955.994 7\r\n 9 3 -4 3187.85 1255.01 7\r\n -9 3 4 3479.53 1103.09 6\r\n -9 -3 -3 2787.82 1126.90 3\r\n -9 3 3 2499.59 330.011 4\r\n 9 3 -3 2855.52 353.558 1\r\n -9 -3 -3 2835.56 752.351 4\r\n -9 -3 -3 2891.32 295.330 2\r\n 9 -3 3 2706.78 1011.35 4\r\n 9 -3 3 3000.57 713.573 7\r\n -9 3 3 3282.74 831.471 7\r\n 9 3 -3 1847.13 918.109 7\r\n 9 -3 3 2754.96 911.159 6\r\n -9 -3 -3 3521.87 1030.08 5\r\n -9 3 3 3092.11 983.169 6\r\n -9 -3 -2 8124.04 1370.73 3\r\n -9 3 2 7184.46 706.229 4\r\n 9 -3 2 9474.07 1423.19 4\r\n -9 -3 -2 9176.26 1254.00 4\r\n 9 -3 2 9153.08 738.902 7\r\n -9 3 2 7606.31 922.592 7\r\n -9 -3 -2 7769.21 831.629 2\r\n 9 -3 2 8849.47 1386.74 6\r\n -9 3 2 7520.62 1261.82 6\r\n -9 -3 -2 7986.62 1170.66 5\r\n 9 3 -2 8592.01 1284.02 7\r\n -9 3 1 39875.3 1361.88 7\r\n -9 3 1 35302.6 1830.32 4\r\n 9 -3 1 38831.7 2354.80 4\r\n -9 -3 -1 40570.7 2385.51 4\r\n -9 -3 -1 37268.6 2021.53 2\r\n -9 3 1 39557.4 2599.15 6\r\n -9 -3 -1 37626.3 1966.59 5\r\n 9 -3 0 5140.79 844.145 1\r\n 9 -3 0 5358.76 867.096 4\r\n -9 -3 0 7667.46 1115.16 2\r\n -9 -3 0 5633.00 969.818 4\r\n -9 3 0 4850.58 1052.36 6\r\n 9 3 0 5337.28 625.227 5\r\n -9 3 -1 39282.1 2641.81 3\r\n 9 -3 -1 38331.5 1696.21 4\r\n 9 -3 -1 38420.8 2275.94 1\r\n -9 -3 1 34144.8 2360.20 4\r\n 9 3 1 37719.2 2366.98 4\r\n -9 -3 1 37694.7 2506.56 2\r\n -9 3 -1 37626.0 2584.82 6\r\n 9 -3 -1 38864.1 1501.74 7\r\n 9 3 1 37883.2 2032.48 5\r\n 9 -3 -2 9361.67 1223.01 1\r\n -9 3 -2 8564.08 1585.03 3\r\n 9 -3 -2 8303.88 1004.17 7\r\n 9 -3 -2 8660.16 706.832 4\r\n -9 -3 2 8470.72 1328.05 2\r\n -9 3 -2 7492.73 1226.54 6\r\n 9 3 2 8089.62 1201.05 4\r\n -9 -3 2 7750.30 1248.30 4\r\n 9 3 2 7717.67 1116.44 5\r\n 9 -3 -2 8290.06 1229.21 2\r\n 9 -3 -3 2302.47 881.064 2\r\n 9 -3 -3 2326.03 825.554 5\r\n -9 3 -3 2529.31 1200.70 3\r\n -9 -3 3 3049.65 1105.30 2\r\n 9 -3 -3 1539.67 732.667 7\r\n -9 3 -3 3046.94 934.800 6\r\n 9 3 3 3147.77 873.907 4\r\n 9 -3 -4 3241.08 1204.59 5\r\n -9 -3 4 5553.49 1326.07 2\r\n 9 -3 -4 5081.72 1372.52 7\r\n 9 3 4 3656.60 1079.71 4\r\n 9 -3 -5 4061.67 1343.44 5\r\n -9 -3 5 3951.90 1231.02 2\r\n 9 -3 -5 3394.05 1155.74 7\r\n 9 3 5 3599.13 1136.84 4\r\n 9 -3 -6 4754.19 1384.10 5\r\n -9 -3 6 4956.45 1497.95 2\r\n 9 3 6 4466.41 1305.43 4\r\n -9 4 6 2423.24 899.937 1\r\n 9 4 -6 1826.04 1516.15 7\r\n 9 -4 6 2518.60 1406.17 4\r\n -9 -4 -6 2293.67 1228.45 5\r\n -9 -4 -5 4298.15 1361.35 5\r\n 9 4 -5 3754.86 1380.02 7\r\n 9 -4 5 3631.64 1217.57 4\r\n -9 4 5 3921.10 1066.35 6\r\n -9 4 5 3154.68 1111.19 1\r\n 9 -4 4 17720.8 2422.50 4\r\n -9 -4 -4 17164.1 1943.44 4\r\n -9 -4 -4 16604.7 2581.16 3\r\n 9 4 -4 14971.9 2131.44 7\r\n 9 -4 4 18176.0 1617.72 7\r\n -9 4 4 14625.2 1943.63 1\r\n -9 4 4 19590.2 2166.29 6\r\n -9 -4 -4 18598.4 2362.17 5\r\n -9 -4 -3 46328.7 3466.83 3\r\n 9 -4 3 43697.3 3324.54 4\r\n -9 -4 -3 42221.3 2757.16 4\r\n -9 4 3 41511.0 2597.32 7\r\n -9 -4 -3 42944.5 1671.59 2\r\n -9 4 3 39062.4 2870.12 6\r\n 9 -4 3 40722.1 1885.36 7\r\n 9 4 -3 41183.8 2981.06 7\r\n -9 -4 -3 38751.7 2980.03 5\r\n -9 -4 -2 7780.47 1276.15 5\r\n -9 -4 -2 8432.24 1429.06 3\r\n -9 4 2 6651.81 1324.58 6\r\n -9 -4 -2 10114.1 1272.63 4\r\n -9 4 2 7976.85 986.323 7\r\n 9 -4 2 7460.78 1417.46 4\r\n 9 4 -2 8304.14 1402.95 7\r\n -9 -4 -2 8193.56 978.075 2\r\n 9 -4 1 38357.7 2548.22 4\r\n -9 -4 -1 40598.9 2568.77 4\r\n -9 4 1 41991.7 1414.66 7\r\n 9 -4 1 42901.2 2401.76 1\r\n -9 4 1 36298.7 2705.24 6\r\n -9 -4 -1 44441.4 2479.18 2\r\n 9 -4 1 40164.9 2945.37 6\r\n -9 -4 -1 41592.3 2254.37 5\r\n -9 -4 0 1204.49 809.741 2\r\n 9 4 0 1161.45 344.349 5\r\n 9 -4 0 1087.91 585.881 4\r\n -9 4 0 563.082 678.001 6\r\n -9 -4 0 810.437 580.223 4\r\n 9 -4 0 1518.86 580.775 1\r\n 9 -4 0 1238.51 737.708 6\r\n 9 4 0 1396.08 793.075 4\r\n -9 -4 0 1097.41 412.341 5\r\n -9 4 -1 41863.2 2857.58 3\r\n 9 -4 -1 42090.3 2568.85 1\r\n 9 -4 -1 43645.4 1937.53 4\r\n 9 -4 -1 45764.4 2780.67 2\r\n -9 -4 1 40052.7 2713.58 4\r\n -9 -4 1 46052.5 3043.01 2\r\n 9 4 1 33954.5 2513.02 4\r\n -9 4 -1 42644.3 2972.67 6\r\n 9 -4 -1 44385.8 2987.66 6\r\n 9 4 1 41454.5 2134.20 5\r\n 9 -4 -2 8194.67 1318.04 5\r\n -9 4 -2 6060.03 1458.25 3\r\n 9 -4 -2 7867.45 633.322 4\r\n 9 4 2 8340.78 1260.05 4\r\n -9 -4 2 7269.50 1460.36 2\r\n -9 4 -2 8759.82 1469.98 6\r\n 9 4 2 8027.56 1237.29 5\r\n 9 4 3 40031.1 2662.87 4\r\n -9 4 -3 39639.8 3134.50 6\r\n -9 -4 3 39647.4 3280.53 2\r\n 9 -4 -3 38362.0 2931.32 5\r\n 9 4 4 16922.8 1841.39 4\r\n -9 -4 4 18452.3 2464.26 2\r\n 9 -4 -4 17423.2 2310.95 5\r\n 9 -4 -5 2294.15 1125.29 5\r\n -9 -4 5 2092.72 1110.49 2\r\n 9 4 5 3168.21 920.748 4\r\n 9 -4 -6-1168.82 1141.18 5\r\n -9 -4 6 2070.67 1091.03 2\r\n 9 4 6 450.642 771.280 4\r\n -9 -5 -6 4482.04 1316.88 5\r\n 9 -5 6 1119.03 1477.40 4\r\n 9 5 -6 2420.24 1508.04 7\r\n -9 5 6 1607.42 1150.03 1\r\n -9 -5 -5 404.968 939.927 5\r\n 9 -5 5-1301.01 1106.07 4\r\n 9 5 -5-2919.42 1242.94 7\r\n -9 5 5 1349.89 699.638 6\r\n -9 5 5 3563.79 1057.87 1\r\n -9 -5 -4 4232.53 1281.55 5\r\n -9 5 4 6339.70 1436.50 1\r\n 9 -5 4 5747.08 1726.11 4\r\n -9 5 4 6366.15 1326.07 6\r\n 9 5 -4 6885.19 1530.64 7\r\n -9 -5 -3 3048.80 1051.26 5\r\n -9 -5 -3 6764.95 1426.75 3\r\n 9 -5 3 5903.85 1470.33 4\r\n -9 -5 -3 4610.52 765.631 2\r\n -9 -5 -3 6429.48 1237.09 4\r\n -9 5 3 2637.86 838.196 7\r\n -9 -5 -3 4405.93 818.780 6\r\n 9 5 -3 5118.89 1316.63 7\r\n -9 5 3 3335.78 1110.19 6\r\n 9 -5 3 5253.47 830.635 1\r\n -9 -5 -2 5544.74 1194.84 5\r\n -9 -5 -2 4344.76 1124.78 3\r\n 9 -5 2 3931.91 1285.76 4\r\n -9 5 2 4712.63 830.902 7\r\n 9 5 -2 7100.58 1447.57 7\r\n 9 -5 2 4927.79 942.796 1\r\n -9 -5 -2 6038.80 1034.81 2\r\n -9 -5 -2 6164.98 1124.46 4\r\n -9 5 2 4998.00 1308.71 6\r\n 9 -5 1 10400.6 1498.20 4\r\n 9 -5 1 9968.08 1332.85 1\r\n -9 -5 -1 10912.5 1522.44 4\r\n -9 5 1 9965.51 1596.88 6\r\n -9 5 1 10290.5 770.135 7\r\n -9 -5 -1 9223.20 1239.63 5\r\n -9 -5 -1 11257.7 1512.47 2\r\n -9 -5 0 1839.90 474.535 5\r\n -9 5 0 1802.15 634.674 3\r\n -9 5 0 1944.44 821.988 6\r\n -9 -5 0 2455.61 930.187 2\r\n 9 -5 0 2649.45 788.359 4\r\n -9 5 -1 9903.43 1612.01 3\r\n 9 -5 -1 11409.1 1132.17 4\r\n -9 -5 1 12233.0 1786.56 2\r\n -9 5 -1 10612.9 1781.13 6\r\n 9 5 1 10498.7 1659.13 4\r\n 9 5 1 11083.4 1168.94 5\r\n 9 5 2 5988.69 1112.97 5\r\n 9 -5 -2 4550.50 1183.77 5\r\n -9 5 -2 5726.02 1408.42 3\r\n 9 -5 -2 5312.55 529.550 4\r\n -9 -5 2 5371.43 1415.33 2\r\n -9 5 -2 5022.77 1330.31 6\r\n 9 5 2 4902.33 1202.70 4\r\n 9 -5 -3 5084.25 1281.96 5\r\n -9 -5 3 2401.64 1397.34 2\r\n 9 5 3 4539.76 1122.74 4\r\n 9 -5 -4 4999.27 1605.18 5\r\n -9 -5 4 4516.69 1399.02 2\r\n 9 5 4 5553.68 1232.73 4\r\n 9 -5 -5 409.936 769.786 5\r\n -9 -5 5 323.730 1294.28 2\r\n 9 5 5 630.924 734.191 4\r\n 9 -5 -6 1622.26 1300.43 5\r\n -9 -5 6 918.479 731.775 2\r\n 9 5 6 1699.91 1552.63 1\r\n -9 -6 -5 938.564 623.141 5\r\n -9 6 5 925.904 981.650 1\r\n 9 -6 5-398.214 410.374 4\r\n -9 -6 -4 2952.47 1025.06 5\r\n 9 -6 4 5143.39 1656.80 4\r\n 9 6 -4 2784.69 1098.30 7\r\n -9 6 4 2706.28 962.484 6\r\n -9 6 4 3494.16 1159.32 1\r\n -9 -6 -3 6797.18 1460.75 5\r\n -9 -6 -3 7349.55 1476.16 3\r\n 9 -6 3 6792.89 1719.91 4\r\n 9 6 -3 6540.84 1525.37 7\r\n -9 -6 -3 8458.61 1224.82 2\r\n -9 6 3 5289.99 1409.65 6\r\n -9 -6 -2 1116.00 596.548 5\r\n -9 -6 -2 649.593 752.978 3\r\n 9 -6 2 1222.40 875.208 4\r\n -9 6 2 1019.97 536.518 7\r\n -9 -6 -2-245.274 730.157 2\r\n -9 -6 -2 900.733 737.563 6\r\n -9 6 2 2045.11 966.957 6\r\n 9 6 -2 1057.28 959.499 7\r\n 9 6 -2 651.072 356.553 1\r\n -9 -6 -1 3833.33 946.804 5\r\n -9 6 1 3616.37 743.916 3\r\n 9 -6 1 3733.58 1053.09 4\r\n 9 6 -1 3101.84 759.306 1\r\n -9 6 1 3531.68 1304.49 6\r\n -9 -6 -1 2837.19 1090.30 2\r\n -9 6 1 4587.79 561.163 7\r\n -9 -6 0 1526.28 495.323 5\r\n 9 -6 0 2100.08 696.411 4\r\n -9 6 0 2006.97 680.617 3\r\n -9 6 0 1170.58 819.406 6\r\n -9 -6 0 2624.29 1116.74 2\r\n -9 6 -1 2297.35 960.706 3\r\n 9 -6 -1 3730.84 774.694 4\r\n -9 6 -1 2288.93 1183.97 6\r\n -9 -6 1 4132.91 1474.00 2\r\n -9 -6 1 3628.22 405.364 5\r\n 9 -6 -2 161.933 791.747 5\r\n -9 6 -2 776.332 972.716 6\r\n 9 -6 -2 965.365 297.596 4\r\n -9 -6 2 708.169 1073.20 2\r\n 9 6 2 677.559 930.610 4\r\n 9 -6 -3 4716.27 1317.09 5\r\n -9 -6 3 6047.41 1569.45 2\r\n 9 6 3 7338.09 1522.09 4\r\n 9 -6 -4 3087.43 1297.75 5\r\n -9 -6 4 2432.03 1247.30 2\r\n 9 6 4 2119.75 1009.04 4\r\n 9 -6 -5 1055.93 1063.02 5\r\n -9 -6 5-436.158 670.296 2\r\n 9 6 5-257.599 1272.56 1\r\n -9 -7 -4-2517.54 1222.93 5\r\n 9 7 -4 683.359 1220.97 7\r\n 9 -7 4 47.4326 813.550 4\r\n -9 7 4-1807.73 928.969 6\r\n -9 7 4-26.3751 857.500 1\r\n -9 -7 -3 1920.44 978.786 5\r\n -9 -7 -3 2412.51 962.626 2\r\n 9 7 -3 3055.04 1203.00 7\r\n 9 -7 3 3416.59 1178.51 4\r\n -9 7 3 5566.04 1234.31 6\r\n -9 -7 -2 2520.43 933.519 5\r\n -9 7 2 1722.95 1055.68 6\r\n 9 7 -2 1463.82 883.287 7\r\n -9 -7 -2 1858.92 844.964 2\r\n 9 7 -2 1698.60 494.537 1\r\n 9 -7 2 1387.03 965.613 4\r\n -9 -7 -1 1058.91 546.698 5\r\n 9 -7 1 563.335 763.952 4\r\n -9 7 1 632.066 953.434 6\r\n 9 7 -1 1407.52 503.677 1\r\n -9 -7 0 817.522 369.964 5\r\n 9 -7 0 508.391 566.962 4\r\n 9 7 0-115.854 670.809 1\r\n -9 7 0 219.828 908.140 6\r\n 9 -7 -1 785.956 622.635 4\r\n 9 7 1 597.954 836.329 1\r\n -9 7 -1 2923.32 1231.94 6\r\n -9 -7 1 784.819 799.920 2\r\n 9 -7 -2 2683.05 1109.62 5\r\n 9 7 2 1836.09 1008.45 1\r\n -9 -7 2 966.685 1354.94 2\r\n 9 -7 -3 3306.65 1200.45 5\r\n 9 7 3 2919.19 1237.34 1\r\n -9 -7 3 3586.40 1421.84 2\r\n 9 7 4 162.024 1179.98 1\r\n 9 -7 -4 179.091 876.603 5\r\n -9 -7 4-1522.36 1289.02 2\r\n -9 -8 -3-932.194 993.521 5\r\n 9 -8 3 1131.48 1228.58 4\r\n 9 8 -3 172.461 921.872 7\r\n -9 8 3 3206.98 1122.64 6\r\n -9 -8 -2 2226.82 864.339 5\r\n 9 -8 2 2586.34 1141.70 4\r\n 9 8 -2 1302.58 842.964 7\r\n -9 8 2 1136.23 1161.01 6\r\n -9 -8 -2 1982.49 1034.98 2\r\n -9 -8 -1 2144.53 1025.09 5\r\n 9 8 -1 1725.05 875.196 1\r\n 9 -8 1 2936.35 986.285 4\r\n -9 8 1 2592.89 1114.20 6\r\n 9 8 0-427.590 785.788 1\r\n 9 -8 0 824.868 504.343 4\r\n 9 -8 -1 3536.17 1368.75 5\r\n -9 -8 1 3483.33 1506.75 2\r\n 9 8 1 1942.66 1115.55 1\r\n 9 -8 -2 3401.16 1357.61 5\r\n -9 -8 2 3397.34 1478.48 2\r\n 9 8 2 2527.72 1096.41 1\r\n 9 -8 -3 1319.31 850.604 5\r\n -9 -8 3 1212.12 1368.29 2\r\n 9 8 3-245.805 1081.63 1\r\n 9 -9 1 953.894 827.771 4\r\n 9 9 -1 484.088 1229.69 7\r\n -9 -9 -1-1112.36 1613.72 2\r\n 9 9 0 6.83667 873.379 1\r\n -9 -9 0 1711.09 1385.44 2\r\n 9 9 1 2717.35 878.198 1\r\n -9 -9 1 762.682 922.488 2\r\n -10 0 0 71848.2 2836.06 4\r\n -10 0 0 69997.4 2711.79 2\r\n 10 0 0 66816.9 2731.88 2\r\n -10 0 -1 163970. 4575.16 4\r\n -10 0 1 158354. 4015.55 4\r\n 10 0 -1 161517. 4095.39 4\r\n 10 0 -1 162956. 3751.70 7\r\n -10 0 1 161626. 4498.56 2\r\n 10 0 1 156277. 3806.30 2\r\n -10 0 -1 154307. 4278.99 6\r\n -10 0 -1 162209. 3645.38 2\r\n 10 0 2 3608.33 623.327 2\r\n -10 0 2 3270.50 898.372 2\r\n 10 0 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2060.65 4\r\n 10 0 -5 14184.9 1817.52 5\r\n 10 0 -6 270.129 881.702 5\r\n 10 0 -6 804.229 1372.66 7\r\n 10 0 6 1442.41 984.601 4\r\n -10 0 6 1269.05 677.120 2\r\n 10 0 -7 715.804 532.038 5\r\n 10 0 -7 862.995 1071.64 7\r\n 10 0 7 1866.52 1260.42 4\r\n -10 0 7 569.386 926.130 2\r\n 10 -1 7-75.3278 1191.59 4\r\n -10 1 7 1995.00 917.878 2\r\n 10 1 -6 246.902 756.779 5\r\n 10 1 -6 291.582 976.294 7\r\n 10 -1 6 629.980 1248.10 4\r\n -10 1 6 2471.28 771.457 2\r\n 10 1 -5 4564.27 1027.91 5\r\n -10 -1 -5-728.221 1977.83 3\r\n 10 1 -5 3435.76 1453.73 7\r\n 10 -1 5 4557.05 1425.73 4\r\n 10 -1 5 3004.64 608.475 2\r\n -10 1 5 3301.32 817.492 4\r\n 10 -1 5 3555.04 895.039 6\r\n -10 1 5 3156.03 1174.81 2\r\n 10 1 -4 6930.64 1059.19 5\r\n -10 -1 -4 7509.42 1884.34 3\r\n 10 -1 4 7554.46 898.951 2\r\n 10 -1 4 8364.42 1617.41 4\r\n 10 -1 4 9112.14 1391.96 7\r\n 10 1 -4 6783.65 1461.70 7\r\n -10 -1 -4 8130.33 804.450 6\r\n -10 1 4 6115.17 940.063 4\r\n 10 -1 4 6054.32 978.764 6\r\n -10 1 4 5829.88 1323.44 2\r\n 10 1 -4 6078.72 842.028 1\r\n -10 -1 -3 18011.2 2363.93 3\r\n -10 -1 -3 17988.9 1876.66 4\r\n 10 1 -3 16129.8 1210.44 1\r\n 10 -1 3 18310.7 1968.53 4\r\n -10 1 3 16177.4 1313.10 4\r\n 10 -1 3 16116.5 1494.02 7\r\n 10 -1 3 17836.8 1315.96 2\r\n 10 1 -3 17417.6 1832.31 7\r\n 10 1 -3 16646.3 1861.42 2\r\n -10 1 3 18326.8 1657.55 7\r\n -10 1 3 15171.3 1767.03 2\r\n -10 -1 -3 17237.9 1260.81 6\r\n 10 -1 3 15562.1 1584.08 6\r\n 10 1 -3 15583.2 1287.19 5\r\n -10 -1 -2 42389.9 2579.80 4\r\n -10 1 2 40487.8 1951.22 4\r\n -10 -1 -2 44953.0 1654.22 2\r\n 10 -1 2 45851.0 2091.69 2\r\n 10 1 -2 43415.0 2447.73 7\r\n -10 1 2 43834.2 2193.10 7\r\n 10 1 -2 47185.7 2708.76 4\r\n -10 -1 -2 44025.5 2142.83 6\r\n -10 1 2 43847.3 2538.20 2\r\n 10 1 -2 47408.0 1693.19 5\r\n -10 -1 -2 40227.5 3099.25 3\r\n -10 -1 -1 78940.7 3206.21 4\r\n -10 1 1 68714.3 2564.25 4\r\n 10 1 -1 70693.1 3009.79 4\r\n -10 1 1 74582.6 3033.34 2\r\n 10 -1 1 76064.6 2806.29 2\r\n 10 1 -1 73880.7 2870.53 7\r\n -10 -1 -1 78446.3 2604.83 2\r\n -10 1 0 27533.9 1782.42 4\r\n 10 -1 0 22376.3 1567.46 4\r\n -10 -1 0 28537.3 1852.57 4\r\n -10 1 0 24359.6 1657.55 2\r\n 10 -1 0 26614.0 1793.49 2\r\n 10 1 0 27290.2 1815.89 2\r\n -10 1 0 26957.7 1998.41 6\r\n -10 -1 0 26814.0 1758.13 2\r\n -10 1 -1 72347.7 3125.60 4\r\n -10 -1 1 73676.4 2981.79 4\r\n 10 -1 -1 75647.4 2668.74 4\r\n 10 -1 -1 74467.1 2403.29 7\r\n -10 -1 1 74776.0 3192.54 2\r\n 10 1 1 76155.5 2692.08 2\r\n -10 1 -1 73933.1 3129.73 6\r\n 10 1 1 74491.3 2748.65 5\r\n -10 1 -2 50426.4 2927.27 4\r\n 10 1 2 49026.4 2626.24 4\r\n -10 -1 2 45330.8 2471.69 4\r\n 10 -1 -2 44973.4 2253.28 1\r\n 10 -1 -2 44265.5 2337.46 7\r\n 10 -1 -2 44553.2 2128.30 4\r\n 10 1 2 44165.7 1814.32 2\r\n -10 1 -2 41517.4 2384.10 6\r\n -10 -1 2 45014.7 2739.11 2\r\n 10 1 2 45457.9 2581.07 5\r\n -10 1 -3 15024.3 2275.31 3\r\n 10 -1 -3 18260.0 1558.59 1\r\n -10 1 -3 20697.8 2127.38 4\r\n 10 1 3 17506.5 1830.02 4\r\n -10 -1 3 13893.3 1557.33 4\r\n 10 -1 -3 15365.0 1714.76 7\r\n -10 -1 3 16128.0 1671.34 7\r\n -10 -1 3 15257.2 1784.71 2\r\n 10 -1 -3 16339.8 1780.85 2\r\n 10 1 3 17204.4 885.830 2\r\n -10 1 -3 16698.1 1551.05 6\r\n 10 1 3 15893.3 1775.68 5\r\n 10 -1 -3 14435.9 1483.75 5\r\n 10 -1 -4 8993.62 1388.48 5\r\n -10 -1 4 7299.75 1407.16 2\r\n -10 1 -4 6369.56 1606.11 3\r\n 10 -1 -4 7318.65 1405.34 7\r\n -10 1 -4 8161.08 1175.17 6\r\n 10 1 4 6641.75 1373.58 4\r\n -10 -1 4 5591.02 1186.12 4\r\n 10 -1 -4 6618.62 1145.64 1\r\n 10 -1 -5 3082.38 1058.99 5\r\n -10 -1 5 3361.64 1216.73 2\r\n -10 1 -5-394.942 1846.99 3\r\n 10 -1 -5 4253.65 1418.96 7\r\n 10 1 5 4389.96 1352.07 4\r\n 10 -1 -6 219.536 919.039 5\r\n -10 -1 6 199.521 932.908 2\r\n 10 1 6 1335.24 1006.49 4\r\n 10 -1 -6 925.513 1092.32 7\r\n -10 -1 7-2237.20 1182.97 2\r\n 10 -1 -7 1753.96 1037.19 5\r\n 10 -1 -7-2373.56 1498.56 7\r\n 10 1 7 1217.53 1253.53 4\r\n 10 2 -6 6538.13 1444.02 7\r\n 10 -2 6 8006.91 1773.43 4\r\n -10 2 6 7066.29 1320.26 2\r\n -10 2 6 6494.03 1375.66 6\r\n 10 2 -6 5521.80 1263.22 5\r\n 10 2 -5 5948.04 1077.17 5\r\n -10 -2 -5 1467.55 1516.56 3\r\n 10 -2 5 5281.24 1553.43 4\r\n -10 2 5 4971.86 714.364 4\r\n -10 2 5 3529.92 1173.76 2\r\n 10 -2 5 5448.40 1245.39 6\r\n 10 2 -5 5909.69 1807.08 7\r\n -10 -2 -4 7156.11 1874.24 3\r\n -10 2 4 5405.62 691.765 4\r\n 10 -2 4 6282.13 1449.47 4\r\n 10 2 -4 5039.68 1262.70 7\r\n -10 2 4 5168.41 1228.91 2\r\n 10 -2 4 4060.77 968.406 6\r\n 10 -2 4 3991.94 917.224 7\r\n -10 -2 -4 7985.11 1556.54 5\r\n 10 2 -4 6103.85 876.685 5\r\n 10 2 -4 6264.55 679.367 1\r\n -10 -2 -3 32463.0 3019.49 3\r\n -10 -2 -3 36334.7 2599.88 4\r\n 10 -2 3 29396.7 2533.73 4\r\n -10 2 3 30189.4 1518.97 4\r\n 10 2 -3 30518.9 1431.47 1\r\n 10 -2 3 31412.6 1972.33 7\r\n -10 2 3 30592.3 2357.08 2\r\n 10 2 -3 31733.9 2504.13 7\r\n -10 2 3 31735.7 2137.62 7\r\n -10 -2 -3 35338.0 1603.65 6\r\n 10 -2 3 32771.5 2420.19 6\r\n 10 2 -3 31261.4 1413.54 5\r\n -10 2 2 6644.78 771.614 4\r\n 10 -2 2 5656.26 904.862 2\r\n 10 -2 2 5847.44 733.504 7\r\n -10 2 2 5704.82 790.374 7\r\n -10 -2 -2 6239.76 691.345 2\r\n 10 2 -2 6169.98 1074.41 7\r\n -10 -2 -2 6925.76 1127.17 4\r\n -10 2 2 4665.60 1044.93 2\r\n 10 -2 2 5572.44 1059.24 6\r\n -10 2 2 6647.99 1172.18 6\r\n 10 2 -2 5638.83 458.317 5\r\n -10 2 1 12699.6 1140.48 4\r\n 10 -2 1 13034.6 1487.27 6\r\n 10 -2 1 12669.7 1370.64 4\r\n -10 -2 -1 14361.8 1446.27 4\r\n -10 2 1 13241.5 1361.06 2\r\n 10 -2 1 12673.7 1296.70 2\r\n -10 -2 -1 12815.3 1181.42 2\r\n -10 2 1 11183.0 1492.23 6\r\n 10 2 -1 13813.9 1540.73 2\r\n 10 2 -1 13020.1 718.682 5\r\n -10 2 0 77239.8 3007.26 4\r\n 10 -2 0 77734.2 2864.69 4\r\n -10 -2 0 80278.5 3235.25 4\r\n 10 -2 0 79661.4 1691.30 7\r\n -10 -2 0 80896.3 3169.77 2\r\n -10 2 0 79159.7 3496.27 6\r\n 10 2 0 80046.6 3230.88 2\r\n 10 2 0 78341.2 2324.12 5\r\n -10 -2 1 11458.6 1442.95 2\r\n -10 2 -1 12282.8 1384.77 4\r\n 10 -2 -1 12447.1 1096.18 4\r\n -10 -2 1 13465.5 1416.55 4\r\n 10 -2 -1 13238.7 1032.15 7\r\n 10 -2 -1 12239.7 1249.98 1\r\n 10 2 1 11299.4 1124.72 2\r\n -10 2 -1 12322.6 1463.23 6\r\n 10 2 1 12056.7 1167.85 5\r\n 10 2 2 6891.05 1107.65 5\r\n 10 -2 -2 5434.50 1046.59 2\r\n -10 2 -2 6127.67 1315.50 3\r\n -10 2 -2 5710.66 1159.88 4\r\n -10 -2 2 5125.39 1108.91 2\r\n 10 -2 -2 5372.41 897.759 1\r\n -10 -2 2 6707.36 1005.87 4\r\n 10 -2 -2 5612.87 703.405 4\r\n 10 -2 -2 4953.95 850.817 7\r\n 10 2 2 5575.49 1045.39 4\r\n -10 2 -2 6730.39 1137.90 6\r\n -10 2 -3 31238.1 3201.93 3\r\n 10 -2 -3 34497.3 2329.73 1\r\n -10 -2 3 28591.4 2370.12 4\r\n 10 2 3 31509.9 2340.86 4\r\n 10 -2 -3 31054.5 2409.79 7\r\n -10 -2 3 30252.2 2628.85 2\r\n -10 2 -3 32211.5 2361.81 6\r\n 10 -2 -3 33573.1 2525.64 2\r\n 10 2 3 34351.5 2634.41 5\r\n 10 -2 -3 32710.8 2362.91 5\r\n 10 -2 -4 5682.82 1291.43 5\r\n -10 -2 4 4902.89 1242.59 2\r\n -10 2 -4 5057.15 1841.72 3\r\n 10 -2 -4 6395.74 1533.44 7\r\n 10 2 4 7311.58 1355.45 4\r\n 10 -2 -5 4853.70 1386.68 5\r\n -10 -2 5 5311.97 1385.93 2\r\n 10 -2 -5 6764.62 1477.52 7\r\n 10 2 5 5840.54 1326.06 4\r\n 10 -2 -6 4737.99 1386.54 5\r\n -10 -2 6 4804.34 1363.18 2\r\n 10 -2 -6 6324.79 1838.68 7\r\n 10 2 6 9363.99 1674.77 4\r\n 10 3 -6 681.081 791.238 7\r\n 10 -3 6-1320.05 1141.53 4\r\n -10 3 6 387.537 666.373 6\r\n -10 -3 -6 1515.58 741.523 5\r\n 10 3 -5 7120.14 1722.62 7\r\n 10 -3 5 9810.29 2052.86 4\r\n -10 3 5 9886.76 1580.14 6\r\n -10 -3 -5 10405.5 1969.11 5\r\n -10 3 4 7761.11 451.762 4\r\n -10 -3 -4 8094.72 1959.49 3\r\n 10 -3 4 9409.96 1308.44 7\r\n 10 -3 4 9735.81 1893.58 4\r\n 10 3 -4 8913.56 1739.49 7\r\n -10 3 4 8320.73 1487.61 6\r\n -10 -3 -4 7835.25 1595.94 5\r\n -10 -3 -3 23842.6 2779.29 3\r\n -10 3 3 24581.9 1138.01 4\r\n 10 -3 3 28740.0 2631.89 4\r\n -10 -3 -3 25776.1 2216.38 4\r\n 10 3 -3 24125.3 1084.23 1\r\n 10 -3 3 25394.7 1709.81 7\r\n -10 -3 -3 27064.0 958.694 2\r\n -10 3 3 27642.8 2039.54 7\r\n 10 3 -3 27265.1 2451.33 7\r\n 10 -3 3 25265.7 2339.43 6\r\n -10 3 3 22978.5 2248.92 6\r\n -10 -3 -3 22614.9 2253.61 5\r\n -10 3 2 7967.02 807.443 4\r\n -10 -3 -2 9047.19 1277.82 4\r\n 10 -3 2 8832.07 732.426 7\r\n 10 3 -2 9107.18 1344.36 7\r\n 10 -3 2 9090.73 1444.56 4\r\n -10 -3 -2 8142.71 915.090 2\r\n -10 3 2 7753.56 1288.50 6\r\n 10 -3 2 8411.44 1380.74 6\r\n -10 3 2 7969.28 918.715 7\r\n -10 -3 -2 6940.98 1146.79 5\r\n -10 3 1 784.840 419.227 4\r\n -10 -3 -1 526.218 441.402 2\r\n 10 -3 1 1194.46 595.993 4\r\n -10 3 1 697.709 265.599 7\r\n -10 -3 -1 316.470 505.951 4\r\n -10 3 1 472.347 576.500 6\r\n 10 -3 1 453.110 714.626 6\r\n -10 3 0 63880.8 3395.69 6\r\n -10 3 0 61260.9 2868.22 4\r\n 10 -3 0 56398.2 2562.20 4\r\n -10 -3 0 59480.9 3042.91 4\r\n -10 -3 0 59732.2 2959.07 2\r\n 10 3 0 57941.2 1973.90 5\r\n -10 3 -1-33.3638 603.821 3\r\n 10 3 1 904.857 465.504 5\r\n -10 -3 1 213.825 789.277 2\r\n 10 -3 -1 933.080 378.170 7\r\n 10 -3 -1 1249.21 431.366 4\r\n -10 3 -1 500.901 611.798 6\r\n -10 -3 1 770.498 614.986 4\r\n 10 3 1 157.235 667.886 4\r\n 10 -3 -1 821.134 576.827 1\r\n 10 3 2 8293.92 1206.18 5\r\n -10 3 -2 8364.05 1554.50 3\r\n 10 -3 -2 7898.48 1002.40 7\r\n 10 -3 -2 8840.33 823.605 4\r\n -10 -3 2 9745.58 1388.83 4\r\n -10 -3 2 6213.95 1328.08 2\r\n 10 -3 -2 9417.05 1347.93 2\r\n -10 3 -2 6942.71 1247.78 6\r\n 10 3 2 6963.10 1185.97 4\r\n 10 -3 -2 8612.19 1247.19 1\r\n -10 3 -3 23643.7 2903.97 3\r\n 10 3 3 22127.1 2093.75 4\r\n 10 -3 -3 23481.1 2059.54 7\r\n -10 3 -3 24440.4 2345.86 6\r\n -10 -3 3 22248.4 2427.01 2\r\n 10 -3 -3 21230.3 2049.93 5\r\n 10 -3 -4 9638.20 1710.05 5\r\n -10 -3 4 10235.7 1788.06 2\r\n 10 -3 -4 10465.6 1716.30 7\r\n 10 3 4 9857.29 1499.44 4\r\n 10 -3 -5 8806.44 1747.04 5\r\n -10 -3 5 10145.9 1839.27 2\r\n 10 3 5 13382.8 1827.48 4\r\n 10 -3 -5 9910.94 1861.47 7\r\n -10 -3 6 1069.33 779.936 2\r\n 10 3 6-66.6179 922.141 4\r\n 10 -3 -6-327.467 1171.54 7\r\n 10 4 -6 1821.37 1103.90 7\r\n 10 -4 6 2457.49 1658.90 4\r\n -10 -4 -6 3054.14 1093.22 5\r\n -10 -4 -5 794.872 886.623 5\r\n 10 -4 5-367.242 1403.60 4\r\n 10 4 -5 1702.77 1219.86 7\r\n -10 4 5 3606.31 897.405 6\r\n -10 -4 -4 421.820 767.898 5\r\n -10 -4 -4 140.301 1305.23 3\r\n 10 -4 4 394.010 759.599 4\r\n 10 4 -4-455.076 1028.55 7\r\n 10 -4 4 1705.77 742.807 7\r\n -10 4 4-36.7938 745.325 6\r\n -10 -4 -3 1050.87 855.686 5\r\n 10 -4 3 1463.05 493.817 7\r\n -10 -4 -3 1214.62 409.782 2\r\n -10 -4 -3 871.123 1112.94 3\r\n 10 4 -3 907.445 230.594 1\r\n 10 -4 3 7.34305 1023.27 4\r\n -10 4 3 2039.24 676.320 7\r\n 10 4 -3 2179.70 1048.44 7\r\n -10 -4 -3 1577.44 773.776 4\r\n -10 4 3 1813.33 961.729 6\r\n -10 -4 -2 9074.13 1371.85 5\r\n -10 -4 -2 11121.1 1428.27 4\r\n -10 4 2 7841.27 945.731 7\r\n 10 -4 2 9050.33 1499.40 4\r\n -10 -4 -2 10393.5 1163.25 2\r\n 10 4 -2 13191.7 1695.62 7\r\n -10 4 2 8965.90 1514.88 6\r\n -10 -4 -2 9377.69 1601.93 3\r\n -10 -4 -1 6921.13 1170.35 4\r\n -10 4 1 8116.51 614.111 7\r\n -10 -4 -1 7200.80 1100.50 2\r\n 10 -4 1 8230.00 1272.86 4\r\n -10 4 1 7594.65 1424.66 6\r\n -10 -4 -1 7075.99 1022.00 5\r\n 10 4 0 2333.17 453.833 5\r\n 10 -4 0 2816.70 780.016 1\r\n -10 -4 0 2624.57 799.372 2\r\n -10 4 0 2119.22 859.381 6\r\n -10 -4 0 2461.97 734.406 4\r\n 10 -4 0 1411.76 621.008 4\r\n 10 4 0 2211.64 961.963 4\r\n -10 4 -1 8219.80 1391.11 3\r\n 10 -4 -1 7311.60 890.614 4\r\n -10 -4 1 8830.43 1446.18 2\r\n -10 4 -1 6751.79 1400.37 6\r\n 10 4 1 8006.94 1391.42 4\r\n 10 4 1 7625.75 1014.52 5\r\n 10 4 2 9580.03 1370.08 5\r\n -10 4 -2 9928.21 1708.52 3\r\n 10 -4 -2 9975.78 797.465 4\r\n -10 -4 2 9995.56 1679.52 2\r\n -10 4 -2 8040.30 1481.60 6\r\n 10 4 2 9901.22 1481.02 4\r\n -10 -4 3 7.64729 638.080 2\r\n 10 -4 -3 1288.96 982.993 5\r\n -10 4 -3 971.218 1272.27 3\r\n -10 4 -3 707.410 755.100 6\r\n 10 4 3 428.130 808.329 4\r\n 10 -4 -4 597.071 846.423 5\r\n -10 -4 4 777.482 912.795 2\r\n 10 4 4 678.970 728.137 4\r\n 10 -4 -5 1696.34 972.163 5\r\n -10 -4 5-418.730 841.517 2\r\n 10 4 5 33.8567 652.046 4\r\n 10 -4 -6 2142.47 1173.04 5\r\n -10 -4 6 3275.04 1528.55 2\r\n 10 4 6 2666.75 907.257 4\r\n -10 -5 -5 510.063 836.110 5\r\n 10 -5 5-435.152 1275.34 4\r\n 10 5 -5 900.222 1116.88 7\r\n -10 5 5 1771.88 770.916 6\r\n -10 -5 -4 9738.04 1824.00 5\r\n -10 -5 -4 8714.58 1988.80 3\r\n 10 -5 4 9300.46 1868.72 4\r\n -10 5 4 8990.28 1630.21 6\r\n 10 5 -4 6406.89 1758.31 7\r\n -10 -5 -3 4365.24 1184.37 5\r\n -10 -5 -3 3737.22 1232.96 3\r\n -10 -5 -3 3756.03 726.916 2\r\n 10 -5 3 3653.99 1217.58 4\r\n 10 5 -3 4429.41 1284.69 7\r\n -10 -5 -3 3458.85 780.159 6\r\n -10 5 3 899.916 910.677 6\r\n -10 5 3 3689.23 964.131 7\r\n -10 -5 -2 13270.9 1800.82 3\r\n -10 -5 -2 10021.1 1498.54 5\r\n 10 -5 2 14012.0 1923.51 4\r\n -10 5 2 12825.7 1196.07 7\r\n -10 5 2 14420.4 2024.22 6\r\n -10 -5 -2 13119.1 1428.58 2\r\n 10 5 -2 13472.0 1861.44 7\r\n -10 -5 -1-34.0863 476.189 5\r\n 10 -5 1 333.029 716.377 4\r\n -10 5 1 475.622 223.039 7\r\n -10 -5 -1 230.952 540.624 2\r\n -10 5 1 262.578 458.448 6\r\n -10 5 0 1658.45 665.031 3\r\n 10 -5 0 1331.23 654.111 4\r\n -10 -5 0 2902.15 876.600 2\r\n -10 5 0 1281.73 688.245 6\r\n 10 5 0 621.860 1004.91 4\r\n -10 -5 0 1146.31 396.004 5\r\n 10 5 1 167.801 348.570 5\r\n -10 5 -1 226.023 666.662 3\r\n -10 5 -1-258.928 952.178 6\r\n 10 -5 -1 605.301 491.411 4\r\n -10 -5 1-1768.12 973.322 2\r\n 10 5 1 528.310 820.021 4\r\n -10 5 -2 13716.3 2101.68 6\r\n -10 5 -2 14041.5 2149.00 3\r\n 10 -5 -2 12934.8 890.834 4\r\n 10 5 2 13611.6 1874.87 4\r\n -10 -5 2 12125.3 1983.24 2\r\n 10 5 2 13332.3 1599.40 5\r\n 10 -5 -2 15528.6 1965.07 5\r\n 10 -5 -3 4887.61 1226.53 5\r\n -10 -5 3 3940.56 1281.14 2\r\n -10 5 -3 3137.96 1200.16 6\r\n 10 5 3 3650.21 1123.02 4\r\n 10 -5 -4 7288.02 1781.52 5\r\n -10 -5 4 9643.34 1803.61 2\r\n 10 5 4 7933.62 1476.61 4\r\n 10 -5 -5 1756.70 931.235 5\r\n -10 -5 5 183.079 1206.66 2\r\n 10 5 5 251.784 868.982 4\r\n -10 -6 -5-674.429 950.799 5\r\n 10 -6 5 445.189 1241.92 4\r\n 10 6 -5 115.680 853.517 7\r\n -10 6 5 3253.37 1045.22 6\r\n -10 -6 -4 1643.17 1124.97 5\r\n -10 -6 -4 1178.45 1096.67 3\r\n 10 -6 4 515.436 880.329 4\r\n 10 6 -4-127.733 920.361 7\r\n -10 6 4 388.994 641.368 6\r\n -10 -6 -3 9059.07 1601.68 5\r\n -10 -6 -3 11552.6 1836.31 3\r\n 10 -6 3 9434.91 2012.64 4\r\n 10 6 -3 9798.43 1790.65 7\r\n -10 -6 -3 9679.26 1281.17 2\r\n -10 6 3 11295.9 1884.12 6\r\n -10 -6 -2 958.329 646.375 5\r\n -10 -6 -2 637.560 871.347 3\r\n 10 -6 2 81.7457 730.643 4\r\n -10 -6 -2 209.676 525.285 2\r\n -10 6 2 1628.48 911.442 6\r\n 10 6 -2 560.260 423.115 1\r\n 10 6 -2 237.052 746.623 7\r\n -10 -6 -1 1719.73 641.846 5\r\n -10 6 1 1133.88 484.142 3\r\n 10 -6 1 2119.57 776.093 4\r\n -10 6 1 1256.98 286.568 7\r\n -10 -6 -1 978.344 867.707 2\r\n -10 6 1 1986.26 748.070 6\r\n -10 -6 0 145.644 368.537 5\r\n -10 6 0 1337.43 550.620 3\r\n 10 -6 0 816.236 573.919 4\r\n -10 -6 0 83.6472 842.682 2\r\n -10 6 0 784.808 736.590 6\r\n -10 6 -1 1206.08 836.655 3\r\n 10 -6 -1 1110.30 469.916 4\r\n -10 -6 1 1854.24 967.233 2\r\n -10 6 -1 1418.01 903.818 6\r\n 10 -6 -2 1408.95 930.794 5\r\n -10 6 -2 695.515 1011.73 3\r\n -10 -6 2 1391.73 995.251 2\r\n 10 -6 -2 447.370 284.893 4\r\n -10 6 -2-494.137 931.957 6\r\n 10 6 2 259.170 892.653 4\r\n 10 -6 -3 9328.98 1791.22 5\r\n -10 -6 3 11916.5 2235.28 2\r\n 10 6 3 9935.01 1793.03 4\r\n 10 -6 -4 718.521 961.249 5\r\n -10 -6 4 1092.77 899.477 2\r\n 10 6 4 1193.04 868.517 4\r\n 10 -6 -5 613.491 706.790 5\r\n -10 -6 5 454.016 1109.73 2\r\n 10 6 5 1117.07 804.439 1\r\n -10 -7 -4-599.866 1322.18 5\r\n 10 7 -4 1449.25 940.915 7\r\n -10 7 4 260.004 639.339 6\r\n 10 -7 4 2214.72 1170.09 4\r\n -10 -7 -3 2290.25 933.505 5\r\n 10 -7 3 1679.43 1073.11 4\r\n -10 7 3 1402.11 961.225 6\r\n 10 7 -3 732.098 831.845 7\r\n -10 -7 -2 314.989 627.949 5\r\n 10 -7 2 3281.05 1245.80 4\r\n 10 7 -2 2517.83 1169.65 7\r\n -10 -7 -2 1787.47 953.056 2\r\n -10 7 2 1967.95 959.410 6\r\n -10 -7 -1 89.7413 681.588 5\r\n 10 -7 1 87.2934 768.662 4\r\n -10 7 1 239.182 734.953 6\r\n -10 -7 -1 645.981 856.062 2\r\n 10 7 -1-538.875 502.428 1\r\n -10 -7 0 837.341 498.762 5\r\n -10 7 0 519.534 572.886 3\r\n 10 7 0 1150.19 750.410 1\r\n -10 7 0 340.020 929.197 6\r\n 10 -7 0 1112.52 776.786 4\r\n -10 -7 0 1537.87 1113.40 2\r\n 10 -7 -1 450.885 474.731 4\r\n -10 7 -1 1492.63 926.449 6\r\n -10 -7 1 104.645 1069.80 2\r\n 10 7 1 91.4460 792.311 1\r\n 10 -7 -2 2059.39 1013.16 5\r\n -10 -7 2 2333.43 1344.41 2\r\n 10 7 2 1714.44 812.976 1\r\n 10 -7 -3 3235.71 1160.74 5\r\n -10 -7 3 1942.77 1317.28 2\r\n 10 7 3 1261.97 1022.54 1\r\n 10 7 3 863.554 1162.92 4\r\n 10 -7 -4 3053.95 1348.57 5\r\n 10 7 4 1201.01 858.581 1\r\n -10 -7 4 2619.26 1441.05 2\r\n -10 -8 -3 1753.80 708.325 5\r\n 10 8 -3 1626.23 1101.15 7\r\n -10 8 3 594.441 612.698 6\r\n -10 -8 -2 933.190 769.389 5\r\n 10 8 -2 757.829 876.474 7\r\n -10 8 2 1881.43 1012.56 6\r\n -10 -8 -2-680.677 959.870 2\r\n -10 -8 -1-991.571 699.330 5\r\n 10 8 -1 430.650 375.878 1\r\n -10 8 1-710.586 923.535 6\r\n 10 -8 1-237.224 1012.60 4\r\n -10 -8 -1 358.587 1055.43 2\r\n 10 -8 0-2562.25 1004.12 4\r\n -10 8 0 200.633 801.152 6\r\n -10 -8 0-1551.66 1129.96 2\r\n 10 8 0 242.148 791.682 1\r\n 10 -8 -1 419.731 743.346 5\r\n -10 -8 1-1015.98 1213.65 2\r\n 10 8 1-1763.14 1165.75 1\r\n 10 -8 -2 1113.68 786.074 5\r\n -10 -8 2-5.95776 1160.04 2\r\n 10 8 2 394.873 704.065 1\r\n 10 -8 -3-2208.49 1193.02 5\r\n -10 -8 3-395.730 738.181 2\r\n 10 8 3-1352.35 947.817 1\r\n 10 9 0 1846.16 1066.71 1\r\n -10 -9 0 2805.17 1435.86 2\r\n 11 0 0-12.9987 433.136 2\r\n 11 0 0-1242.70 745.256 4\r\n -11 0 0-58.1342 329.188 4\r\n -11 0 0 38.0767 516.699 2\r\n -11 0 -1 29111.6 2080.48 4\r\n -11 0 1 27008.8 1798.42 4\r\n 11 0 -1 25142.9 1796.34 4\r\n -11 0 -1 26115.8 1634.49 2\r\n 11 0 -1 24615.9 1606.49 7\r\n -11 0 1 23658.7 1906.53 2\r\n 11 0 1 24730.9 1681.12 2\r\n -11 0 -1 22590.9 1825.32 6\r\n -11 0 -2 21097.9 1955.25 4\r\n -11 0 2 18399.9 1560.73 4\r\n 11 0 -2 18894.0 1654.46 7\r\n 11 0 -2 22251.2 1773.22 4\r\n -11 0 2 21351.2 1940.19 2\r\n 11 0 2 20084.8 1417.94 2\r\n -11 0 -2 21444.2 1729.77 6\r\n 11 0 2 21401.2 1789.38 5\r\n -11 0 -3 11738.9 2117.50 3\r\n -11 0 -3 15205.3 1858.56 4\r\n 11 0 -3 12703.0 1262.76 1\r\n 11 0 3 12531.8 1639.04 4\r\n -11 0 3 13208.0 1358.62 4\r\n 11 0 -3 13402.4 1662.94 7\r\n -11 0 3 13174.0 1486.85 7\r\n 11 0 3 13521.6 1071.21 2\r\n -11 0 3 15074.5 1750.93 2\r\n 11 0 -3 12916.5 1646.79 2\r\n -11 0 -3 13416.1 1315.34 6\r\n 11 0 -3 13364.7 1324.01 5\r\n 11 0 -4 16574.3 1548.86 1\r\n -11 0 -4 18517.5 2785.89 3\r\n 11 0 4 16553.1 2016.07 4\r\n -11 0 4 15743.1 1654.12 4\r\n 11 0 -4 17613.0 2149.35 7\r\n -11 0 4 18350.5 2109.95 2\r\n 11 0 4 17807.9 1081.00 2\r\n -11 0 -4 18058.9 1516.40 6\r\n 11 0 -4 16664.0 1712.83 5\r\n -11 0 5 11576.2 1895.57 2\r\n 11 0 -5 12419.5 1831.39 5\r\n 11 0 -5 14986.1 2281.74 7\r\n 11 0 5 14712.9 2174.82 4\r\n -11 0 -5 8360.56 2134.86 3\r\n -11 0 5 12318.1 1515.06 4\r\n 11 0 -6 3617.99 1189.94 5\r\n 11 0 -6 2689.04 1406.44 7\r\n 11 0 6 4645.68 1550.37 4\r\n -11 0 6 4295.78 1317.87 2\r\n 11 1 -6 4717.72 1076.80 5\r\n 11 -1 6 2689.24 1323.08 4\r\n 11 1 -6 4819.76 1566.98 7\r\n -11 1 6 1566.95 963.909 2\r\n 11 1 -5 6234.08 1128.93 5\r\n -11 -1 -5 3248.86 1999.61 3\r\n 11 1 -5 5945.74 1638.29 7\r\n 11 -1 5 5192.75 1564.50 4\r\n -11 1 5 5915.94 1032.06 4\r\n -11 1 5 5968.67 1401.41 2\r\n 11 1 -4 2539.20 571.739 1\r\n 11 1 -4 1824.61 670.013 5\r\n -11 -1 -4 3064.10 1408.25 3\r\n 11 -1 4 2511.71 798.419 7\r\n 11 1 -4 2312.52 936.003 7\r\n 11 -1 4 1821.39 929.811 4\r\n -11 -1 -4 1708.69 466.737 6\r\n -11 1 4 2029.79 527.989 4\r\n 11 -1 4 1737.83 519.528 2\r\n -11 1 4 2683.89 932.569 2\r\n -11 -1 -3 7764.33 1665.08 3\r\n 11 1 -3 9655.95 1000.93 1\r\n -11 1 3 8732.55 1042.91 4\r\n 11 -1 3 7866.88 1081.92 7\r\n 11 -1 3 9530.90 1043.10 2\r\n -11 1 3 9060.31 1298.79 7\r\n -11 -1 -3 9728.99 1388.44 4\r\n 11 1 -3 8590.16 1360.63 7\r\n 11 -1 3 8218.75 1413.87 4\r\n -11 -1 -3 8732.60 1007.34 6\r\n -11 1 3 8014.31 1413.13 2\r\n 11 1 -3 8506.91 952.293 5\r\n -11 1 2 43313.6 2187.34 7\r\n -11 -1 -2 47262.8 2837.57 4\r\n -11 1 2 42264.5 2131.80 4\r\n -11 -1 -2 44193.2 1790.00 2\r\n 11 1 -2 44085.7 2710.03 4\r\n -11 1 2 44845.0 2678.51 2\r\n 11 1 -2 46721.8 2547.28 7\r\n -11 -1 -2 41624.5 2224.54 6\r\n 11 -1 2 38924.7 2073.35 2\r\n 11 1 -2 42299.2 1655.49 5\r\n -11 -1 -1 47313.9 2617.24 4\r\n -11 1 1 41896.3 2140.17 4\r\n 11 1 -1 45059.4 2557.31 4\r\n -11 1 1 44231.6 2523.54 2\r\n 11 1 -1 47405.6 2402.66 7\r\n 11 -1 1 44803.8 2307.84 2\r\n -11 -1 -1 46871.4 2146.34 2\r\n 11 -1 0 1240.39 533.593 2\r\n -11 -1 0 545.404 480.894 2\r\n 11 1 0 1002.08 547.368 2\r\n -11 1 0 937.216 465.094 4\r\n -11 -1 0 575.442 424.508 4\r\n 11 -1 0 839.581 510.146 4\r\n -11 1 0 1047.60 619.243 2\r\n -11 1 0 1295.60 771.978 6\r\n -11 1 -1 43696.2 2559.32 4\r\n -11 -1 1 45598.5 2488.19 4\r\n 11 -1 -1 45453.2 2218.48 4\r\n 11 -1 -1 44394.6 1961.21 7\r\n -11 -1 1 41185.5 2530.12 2\r\n 11 1 1 43564.0 2240.12 2\r\n -11 1 -1 48662.1 2676.39 6\r\n 11 1 1 43743.2 2216.46 5\r\n -11 1 -2 41636.5 2787.47 4\r\n 11 1 2 40361.1 2524.02 4\r\n -11 -1 2 43722.9 2483.94 4\r\n 11 -1 -2 43243.2 2208.05 4\r\n 11 -1 -2 38799.2 2261.52 7\r\n -11 -1 2 44770.9 2814.13 2\r\n -11 1 -2 40143.6 2454.28 6\r\n 11 -1 -2 41686.4 2246.24 1\r\n 11 1 2 44324.1 1963.80 2\r\n 11 1 2 39852.5 2508.59 5\r\n -11 -1 3 9191.24 1509.62 2\r\n 11 -1 -3 7272.44 1147.80 5\r\n -11 1 -3 5784.05 1572.58 3\r\n 11 -1 -3 9899.48 1245.25 1\r\n 11 -1 -3 8382.46 1365.14 2\r\n -11 -1 3 9369.07 1314.35 4\r\n 11 -1 -3 9801.77 1373.42 7\r\n 11 1 3 9796.29 791.397 2\r\n -11 1 -3 9022.00 1213.00 6\r\n 11 1 3 8718.58 1428.62 4\r\n 11 -1 -4 1879.90 658.159 1\r\n -11 -1 4 1742.91 1040.96 2\r\n 11 -1 -4 2552.86 812.343 5\r\n -11 1 -4 3137.16 1341.37 3\r\n 11 -1 -4 2106.48 1056.02 7\r\n 11 1 4 2469.70 1096.89 4\r\n -11 1 -4 1461.42 717.524 6\r\n -11 -1 4 3228.63 850.741 4\r\n 11 -1 -5 7891.43 1541.34 5\r\n -11 -1 5 6106.63 1475.23 2\r\n 11 -1 -5 8552.52 1866.12 7\r\n 11 1 5 5091.02 1484.03 4\r\n -11 -1 6 3665.96 1183.65 2\r\n 11 -1 -6 1779.95 1077.03 5\r\n 11 -1 -6 3549.10 1380.52 7\r\n 11 1 6 3418.02 1342.95 4\r\n 11 -2 6 1534.86 1247.96 4\r\n -11 2 6 2910.02 968.248 2\r\n -11 2 6 1554.19 960.277 6\r\n 11 2 -6 3643.58 1368.52 7\r\n 11 2 -5 5733.82 984.967 5\r\n 11 -2 5 5884.21 1564.78 4\r\n -11 -2 -5 4709.42 1990.01 3\r\n 11 2 -5 7079.97 1694.07 7\r\n -11 2 5 6250.32 1371.04 2\r\n -11 -2 -4 21511.2 2975.88 3\r\n 11 -2 4 21314.6 2525.87 4\r\n -11 2 4 23293.5 1477.37 4\r\n 11 -2 4 22202.4 2002.32 7\r\n -11 2 4 22257.3 2289.65 2\r\n -11 -2 -4 24366.6 1033.96 6\r\n 11 -2 4 24763.5 2251.49 6\r\n 11 2 -4 22868.9 1559.87 5\r\n 11 2 -4 25151.9 2600.55 7\r\n 11 2 -4 20918.8 1284.04 1\r\n -11 -2 -3 19015.7 2384.61 3\r\n -11 -2 -3 19381.2 2016.64 4\r\n 11 -2 3 18743.1 2066.03 4\r\n -11 2 3 18207.6 1329.39 4\r\n 11 -2 3 18720.1 1587.62 2\r\n 11 2 -3 18616.1 1236.93 1\r\n -11 2 3 18336.3 1941.18 2\r\n 11 2 -3 17317.9 2005.85 7\r\n -11 2 3 19172.2 1691.76 7\r\n -11 -2 -3 20148.7 1367.71 6\r\n 11 -2 3 20053.8 1991.10 6\r\n 11 2 -3 17218.2 1077.66 5\r\n 11 -2 3 17933.1 1551.51 7\r\n 11 -2 2 6585.73 1010.45 2\r\n -11 -2 -2 8996.93 1278.95 4\r\n -11 2 2 5901.85 797.320 4\r\n -11 2 2 7521.62 899.122 7\r\n -11 -2 -2 6752.10 774.551 2\r\n 11 -2 2 6988.69 1249.26 4\r\n 11 2 -2 6637.99 1131.44 7\r\n -11 2 2 5717.22 1070.32 2\r\n 11 2 -2 5137.88 1144.55 2\r\n 11 -2 2 5689.21 1159.66 6\r\n -11 2 2 5196.86 1117.76 6\r\n 11 -2 2 7137.24 811.370 7\r\n 11 2 -2 6369.27 512.463 5\r\n 11 2 -2 5975.97 1289.73 4\r\n -11 2 1 18701.9 1465.76 4\r\n 11 -2 1 21287.3 1822.96 4\r\n -11 -2 -1 23570.3 1910.91 4\r\n -11 -2 -1 19105.1 1484.24 2\r\n -11 2 1 16551.3 1649.56 2\r\n -11 2 1 18279.7 1872.35 6\r\n 11 2 -1 20395.0 1955.64 2\r\n 11 -2 1 22145.5 1728.13 2\r\n -11 -2 0 7371.01 1091.60 2\r\n -11 2 0 6190.88 996.029 4\r\n 11 -2 0 6339.09 972.117 4\r\n 11 2 0 6838.48 1086.89 2\r\n -11 -2 0 6182.21 1014.09 4\r\n -11 2 0 5306.18 1115.94 6\r\n 11 -2 0 7222.44 594.493 7\r\n 11 2 0 6717.02 781.751 5\r\n -11 2 -1 18545.8 1785.29 4\r\n 11 -2 -1 19964.7 1434.40 4\r\n -11 -2 1 18014.4 1678.58 4\r\n 11 -2 -1 19966.5 1288.24 7\r\n -11 2 -1 18208.3 1842.34 6\r\n 11 2 1 19765.3 1569.01 2\r\n 11 2 1 18083.1 1531.07 5\r\n -11 -2 1 18104.2 1830.92 2\r\n 11 2 2 8040.14 1241.96 5\r\n 11 -2 -2 7130.82 1228.12 2\r\n -11 2 -2 7724.59 1543.60 3\r\n 11 -2 -2 6253.06 992.794 1\r\n -11 -2 2 8723.60 1225.18 4\r\n 11 -2 -2 5731.25 821.997 4\r\n -11 2 -2 8561.74 1416.56 4\r\n 11 -2 -2 6932.29 989.942 7\r\n -11 -2 2 9524.83 1414.40 2\r\n 11 2 2 5692.78 1058.80 4\r\n -11 2 -2 7686.39 1245.88 6\r\n -11 2 -3 18863.2 2562.38 3\r\n 11 -2 -3 16241.8 1694.77 1\r\n 11 2 3 17667.2 1856.46 4\r\n -11 -2 3 18366.8 2144.97 2\r\n 11 -2 -3 17438.0 1865.30 7\r\n -11 2 -3 19889.7 1963.82 6\r\n 11 -2 -3 17016.1 1772.53 5\r\n -11 2 -4 20679.8 3036.99 3\r\n 11 2 4 21832.3 2266.82 4\r\n 11 -2 -4 22652.1 2457.41 7\r\n -11 -2 4 22519.9 2471.36 2\r\n -11 2 -4 23372.1 2188.15 6\r\n 11 -2 -4 19704.7 2155.41 5\r\n 11 -2 -5 6725.02 1516.96 5\r\n -11 -2 5 5244.72 1524.63 2\r\n 11 -2 -5 6850.99 1627.13 7\r\n 11 2 5 6250.97 1486.99 4\r\n 11 -2 -6 2642.76 1268.76 5\r\n -11 -2 6 1222.59 874.416 2\r\n 11 -2 -6 2391.57 1374.71 7\r\n 11 2 6 1685.72 1096.19 4\r\n 11 3 -6 45.8515 718.670 7\r\n 11 -3 6 1422.39 1262.90 4\r\n -11 3 6 643.270 757.611 6\r\n -11 -3 -5 407.027 1189.76 3\r\n 11 3 -5 1617.66 1155.81 7\r\n 11 -3 5 2498.97 1160.08 4\r\n -11 3 5 1820.89 938.854 6\r\n -11 -3 -5 1861.96 1215.43 5\r\n 11 3 -4 1394.35 1103.59 7\r\n 11 -3 4 1374.80 806.407 7\r\n -11 -3 -4 1948.07 1344.93 3\r\n 11 -3 4 1907.64 1330.62 4\r\n -11 3 4 1203.51 289.539 4\r\n -11 3 4 2348.57 913.140 6\r\n 11 3 -4 1601.84 279.898 1\r\n -11 -3 -4 1493.15 915.280 5\r\n -11 -3 -3 16849.7 2343.71 3\r\n -11 3 3 22557.6 1243.78 4\r\n 11 -3 3 22536.5 2447.37 4\r\n -11 -3 -3 23891.8 2243.08 4\r\n 11 -3 3 23067.4 1601.06 7\r\n -11 -3 -3 24384.7 1037.72 2\r\n -11 3 3 22523.7 1829.49 7\r\n 11 3 -3 22586.3 2263.26 7\r\n -11 3 3 21601.4 2294.21 6\r\n 11 3 -3 22269.2 1169.36 1\r\n -11 -3 -3 21008.5 2172.43 5\r\n -11 3 2 26709.8 1559.01 4\r\n 11 -3 2 24928.0 2274.50 4\r\n -11 -3 -2 26655.2 2218.78 4\r\n 11 -3 2 25472.8 1219.32 7\r\n -11 3 2 25459.4 1568.18 7\r\n 11 3 -2 24196.7 2136.44 7\r\n -11 -3 -2 24239.3 1550.07 2\r\n -11 3 2 26987.9 2469.03 6\r\n 11 -3 2 27243.3 2395.16 6\r\n -11 3 1 30424.2 1943.36 4\r\n 11 -3 1 30666.0 2283.48 4\r\n -11 -3 -1 29857.8 2242.51 4\r\n -11 -3 -1 31431.7 2028.56 2\r\n -11 3 1 30742.1 2490.38 6\r\n 11 -3 1 34358.5 2633.50 6\r\n 11 -3 1 33278.5 2254.20 2\r\n -11 3 0 198596. 5321.46 4\r\n 11 -3 0 201709. 4918.70 4\r\n -11 -3 0 196172. 5561.77 4\r\n 11 -3 0 210787. 5646.57 2\r\n 11 3 0 209130. 5987.99 4\r\n -11 -3 0 204375. 5512.14 2\r\n -11 3 0 208834. 6207.35 6\r\n 11 3 0 205386. 3814.47 5\r\n -11 3 -1 31028.9 2579.72 3\r\n -11 -3 1 32229.3 2483.67 2\r\n 11 -3 -1 34029.0 1820.69 4\r\n -11 -3 1 30455.9 2306.83 4\r\n 11 -3 -1 32456.8 1494.17 7\r\n 11 -3 -1 32379.6 2205.77 1\r\n 11 3 1 31418.9 2373.44 4\r\n 11 -3 -1 28675.3 2291.75 2\r\n -11 3 -1 33583.3 2626.81 6\r\n 11 3 1 32397.5 1997.51 5\r\n -11 3 -2 25862.4 2674.42 3\r\n 11 3 2 23182.2 2064.26 4\r\n 11 -3 -2 25806.3 1432.94 4\r\n 11 -3 -2 24451.6 1758.62 7\r\n -11 -3 2 26418.9 2428.22 2\r\n -11 3 -2 27213.0 2389.31 6\r\n 11 3 2 26786.4 2178.75 5\r\n -11 3 -3 20504.7 2775.12 3\r\n 11 3 3 27083.8 2330.56 4\r\n 11 -3 -3 21430.9 1979.12 7\r\n -11 -3 3 20757.5 2328.76 2\r\n -11 3 -3 22457.7 2279.69 6\r\n 11 -3 -3 22915.7 2227.30 5\r\n 11 -3 -4 493.232 873.663 5\r\n -11 3 -4 1994.09 1524.97 3\r\n -11 -3 4 1233.35 1026.19 2\r\n 11 -3 -4 1380.76 784.521 7\r\n 11 3 4 2377.57 946.928 4\r\n 11 -3 -5 3115.79 1070.94 5\r\n -11 -3 5 2906.74 1053.34 2\r\n 11 -3 -5 2767.53 1229.57 7\r\n 11 3 5 1976.02 963.643 4\r\n 11 -3 -6 2589.39 943.378 5\r\n -11 -3 6-261.157 691.064 2\r\n 11 -3 -6 773.641 1129.92 7\r\n 11 3 6-371.563 1040.57 4\r\n 11 4 -6 1073.12 1156.63 7\r\n 11 -4 6 1659.66 1348.00 4\r\n -11 -4 -6 2844.94 1308.78 5\r\n -11 -4 -5 973.415 1545.64 3\r\n 11 -4 5 7289.08 1895.64 4\r\n 11 4 -5 8182.07 1887.70 7\r\n -11 4 5 4148.98 1224.46 6\r\n -11 -4 -5 4560.81 1502.52 5\r\n -11 -4 -4 5549.16 1582.90 3\r\n 11 -4 4 5856.88 1667.02 4\r\n 11 4 -4 4666.74 1532.24 7\r\n 11 -4 4 6500.90 1064.34 7\r\n -11 4 4 7527.21 1502.30 6\r\n -11 -4 -4 5769.22 1439.86 5\r\n -11 -4 -3 12450.5 2093.62 3\r\n -11 4 3 13338.4 1528.10 7\r\n 11 -4 3 13471.3 1050.32 7\r\n 11 -4 3 9076.43 1798.30 4\r\n -11 -4 -3 10497.7 871.115 2\r\n 11 4 -3 9739.84 1675.25 7\r\n -11 4 3 11310.1 1809.84 6\r\n -11 -4 -3 11696.1 1800.00 5\r\n 11 -4 2 11845.4 1716.44 4\r\n -11 -4 -2 12308.9 1299.27 2\r\n -11 -4 -2 14453.0 1643.02 4\r\n 11 4 -2 14539.4 1795.58 7\r\n -11 4 2 12897.6 1149.52 7\r\n -11 4 2 11722.8 1728.25 6\r\n -11 -4 -2 11596.2 1466.94 5\r\n 11 -4 1 19532.9 1954.60 4\r\n -11 -4 -1 20012.8 1992.01 4\r\n -11 -4 -1 18211.2 1728.31 2\r\n -11 4 1 21034.1 2234.34 6\r\n -11 -4 -1 16796.3 1498.63 5\r\n 11 4 0 18494.0 2104.73 4\r\n 11 -4 0 21779.1 1791.25 4\r\n -11 -4 0 16082.8 1798.87 2\r\n -11 4 0 20389.8 2231.81 6\r\n 11 4 0 17109.7 1105.27 5\r\n -11 4 -1 17730.6 2157.09 3\r\n 11 -4 -1 18072.2 1409.35 4\r\n 11 4 1 18487.7 2011.82 4\r\n -11 -4 1 20689.3 2193.97 2\r\n -11 4 -1 18295.2 2116.67 6\r\n 11 4 1 18413.3 1516.29 5\r\n -11 4 -2 11979.0 1967.39 3\r\n 11 -4 -2 13752.5 1009.84 4\r\n 11 4 2 13899.9 1765.25 4\r\n -11 -4 2 11157.8 1836.43 2\r\n 11 4 2 14474.0 1603.12 5\r\n 11 -4 -3 11334.5 1766.14 5\r\n -11 4 -3 10435.3 2076.32 3\r\n -11 -4 3 11315.1 2021.90 2\r\n -11 4 -3 9923.97 1728.85 6\r\n 11 4 3 10669.7 1675.14 4\r\n 11 -4 -4 7164.09 1513.76 5\r\n -11 -4 4 5318.28 1616.43 2\r\n 11 4 4 5858.79 1290.43 4\r\n 11 -4 -5 5261.52 1462.57 5\r\n -11 -4 5 5574.84 1367.93 2\r\n 11 4 5 5046.36 1402.40 4\r\n 11 -4 -6 704.074 1346.91 5\r\n -11 -4 6 4037.70 1335.03 2\r\n 11 4 6 1424.12 578.579 4\r\n -11 -5 -5 1243.61 1214.30 5\r\n 11 -5 5 1265.46 914.529 4\r\n 11 5 -5 906.547 901.857 7\r\n -11 5 5 2148.63 774.973 6\r\n -11 -5 -4-81.2156 580.372 5\r\n -11 -5 -4 590.870 1108.72 3\r\n 11 -5 4 1006.57 950.155 4\r\n 11 5 -4 2270.13 1183.76 7\r\n -11 5 4 1245.69 801.392 6\r\n -11 -5 -3 2899.45 1119.28 5\r\n -11 -5 -3 5438.02 1382.72 3\r\n 11 -5 3 4673.99 1424.48 4\r\n -11 -5 -3 1763.30 607.242 2\r\n -11 5 3 616.759 706.254 7\r\n 11 5 -3 3482.33 1163.89 7\r\n -11 5 3 3946.19 1245.23 6\r\n 11 5 -3 2931.93 364.814 1\r\n -11 -5 -2 7313.26 1307.01 5\r\n -11 -5 -2 7179.65 1541.64 3\r\n -11 5 2 8887.23 980.208 7\r\n 11 5 -2 9667.26 1566.47 7\r\n -11 -5 -2 7391.10 1166.17 2\r\n 11 -5 2 7827.46 1574.16 4\r\n -11 5 2 9541.11 1618.31 6\r\n 11 -5 1 18898.4 2008.45 4\r\n -11 5 1 16574.2 704.673 7\r\n -11 5 1 15498.5 2114.97 6\r\n -11 -5 -1 19105.8 1917.99 2\r\n -11 -5 -1 19472.7 1700.08 5\r\n -11 5 0 6072.28 1158.62 3\r\n 11 -5 0 5354.60 1043.39 4\r\n -11 -5 0 6548.24 1353.35 2\r\n -11 5 0 5558.77 1338.74 6\r\n 11 5 0 5771.52 1381.77 4\r\n -11 5 -1 18505.3 2160.87 3\r\n 11 -5 -1 17145.7 1467.57 4\r\n 11 5 1 17865.1 2177.27 4\r\n -11 5 -1 16393.0 2302.83 6\r\n -11 -5 1 20112.5 2308.48 2\r\n 11 5 1 17810.1 1506.65 5\r\n 11 -5 -2 8998.89 1595.28 5\r\n -11 5 -2 8444.64 1799.71 3\r\n 11 -5 -2 8604.20 795.504 4\r\n -11 -5 2 8194.93 1709.25 2\r\n -11 5 -2 7668.45 1582.60 6\r\n 11 5 2 8970.74 1593.30 4\r\n 11 5 2 9761.96 1366.76 5\r\n 11 -5 -3 3047.85 1073.96 5\r\n -11 5 -3 722.776 1036.93 3\r\n -11 5 -3 2259.26 983.860 6\r\n 11 5 3 2532.69 1017.12 4\r\n -11 -5 3 1892.89 1205.74 2\r\n 11 -5 -4 2466.73 1230.07 5\r\n -11 -5 4 638.455 945.180 2\r\n 11 5 4 2370.39 1070.22 4\r\n 11 -5 -5 1275.39 1028.71 5\r\n -11 -5 5 166.831 983.543 2\r\n 11 5 5 1776.52 885.821 4\r\n -11 -6 -5 824.344 1046.76 5\r\n 11 6 -5 431.639 1188.62 7\r\n -11 6 5-761.993 716.326 6\r\n -11 -6 -4 4320.71 1389.80 5\r\n -11 -6 -4-285.397 1277.20 3\r\n 11 -6 4 417.856 1273.66 4\r\n 11 6 -4 1805.66 1017.53 7\r\n -11 6 4 2068.95 942.539 6\r\n -11 -6 -3 4228.79 1233.99 5\r\n -11 -6 -3 5898.26 1683.67 3\r\n -11 -6 -3 4351.44 966.121 2\r\n 11 -6 3 4582.51 1644.42 4\r\n -11 6 3 4570.09 1385.39 6\r\n 11 6 -3 3876.25 1418.44 7\r\n -11 -6 -2 15047.1 2014.53 3\r\n 11 -6 2 18181.1 2353.19 4\r\n 11 6 -2 15081.3 2059.99 7\r\n -11 -6 -2 16747.1 1856.11 2\r\n -11 6 2 14839.8 2208.42 6\r\n -11 -6 -2 14233.9 1867.97 5\r\n 11 6 -2 15660.9 1332.24 1\r\n -11 -6 -1 1677.86 687.496 5\r\n -11 6 1 1173.43 627.871 3\r\n 11 -6 1 2314.09 991.079 4\r\n -11 -6 -1 2980.14 1034.48 2\r\n -11 6 1 2691.54 1033.18 6\r\n -11 6 0 524.631 664.976 3\r\n 11 -6 0 414.250 597.650 4\r\n -11 -6 0 504.338 679.312 2\r\n -11 6 0 433.656 694.343 6\r\n -11 -6 0 1571.40 374.965 5\r\n -11 6 -1 3668.68 983.513 3\r\n 11 -6 -1 3442.32 827.145 4\r\n -11 -6 1 3034.08 1231.78 2\r\n -11 6 -1 1475.85 1166.24 6\r\n 11 6 1 866.386 1216.02 4\r\n 11 -6 -2 14125.4 2071.06 5\r\n 11 -6 -2 15065.3 1027.32 4\r\n 11 6 2 16933.3 2363.86 4\r\n -11 -6 2 14537.8 2402.02 2\r\n -11 6 -2 13511.8 2302.57 6\r\n 11 -6 -3 4416.48 1425.32 5\r\n -11 -6 3 5663.66 1550.52 2\r\n 11 6 3 3917.69 1352.60 4\r\n 11 -6 -4 2827.01 1284.91 5\r\n -11 -6 4 1342.27 992.651 2\r\n 11 6 4 4934.20 1265.39 4\r\n 11 -6 -5 4766.99 1398.52 5\r\n -11 -6 5 1801.73 1196.15 2\r\n -11 -7 -4-2065.07 983.209 5\r\n 11 -7 4 601.169 1026.90 4\r\n 11 7 -4 286.316 624.377 7\r\n -11 -7 -3-105.210 924.578 5\r\n 11 -7 3 597.124 846.262 4\r\n 11 7 -3-129.972 769.744 7\r\n -11 7 3-1534.54 1118.96 6\r\n -11 -7 -2 2117.70 688.607 5\r\n 11 -7 2 495.242 1004.88 4\r\n -11 -7 -2 1627.22 850.736 2\r\n 11 7 -2 1877.13 1015.72 7\r\n -11 7 2 2282.51 1181.76 6\r\n -11 -7 -1 7786.19 1312.44 5\r\n 11 -7 1 8532.05 1650.72 4\r\n 11 7 -1 7458.93 1261.61 1\r\n -11 -7 -1 10695.5 1851.87 2\r\n -11 7 1 7335.49 1737.33 6\r\n -11 7 0 7715.83 1436.69 3\r\n 11 -7 0 7944.27 1446.75 4\r\n -11 -7 0 9967.77 1939.72 2\r\n -11 7 0 10650.0 2021.70 6\r\n 11 7 0 6731.37 1300.64 1\r\n -11 -7 0 8339.44 1013.42 5\r\n 11 -7 -1 9291.52 1225.16 4\r\n -11 -7 1 8827.24 1950.82 2\r\n -11 7 -1 9520.49 2011.77 6\r\n 11 -7 -2 866.764 985.257 5\r\n -11 -7 2 3390.62 1151.13 2\r\n 11 -7 -3 460.820 761.167 5\r\n 11 7 3 622.977 1007.76 4\r\n 11 7 4 561.437 1034.52 1\r\n -11 -7 4 921.773 1073.56 2\r\n -11 -8 -2-430.723 708.576 5\r\n 11 -8 2 685.009 591.476 4\r\n 11 8 -2 425.906 778.762 7\r\n -11 -8 -2-1368.42 848.956 2\r\n -11 8 2-639.677 898.919 6\r\n 11 -8 1 497.206 917.337 4\r\n -11 -8 -1 2618.63 1180.78 2\r\n -11 8 1 1185.35 963.023 6\r\n 11 -8 0 909.768 832.052 4\r\n -11 8 0 2044.36 1224.59 6\r\n -11 -8 0 2801.61 1386.45 2\r\n 11 8 0-71.0460 962.475 1\r\n 11 -8 -1 284.708 941.535 5\r\n 11 8 1 2641.67 1075.66 1\r\n -11 -8 1 486.036 1001.06 2\r\n 11 -8 -2-707.045 1252.02 5\r\n 11 8 2 662.476 1016.60 1\r\n -11 -8 2-922.078 870.079 2\r\n -12 0 0 58262.3 2842.25 4\r\n 12 0 0 50572.8 2626.82 4\r\n -12 0 0 56669.6 2703.91 2\r\n 12 0 0 56486.7 2802.53 2\r\n -12 0 -1 42656.8 2613.26 4\r\n -12 0 1 45249.3 2422.48 4\r\n 12 0 -1 46031.6 2465.98 4\r\n -12 0 -1 40235.5 2086.89 2\r\n 12 0 -1 43443.4 2151.79 7\r\n -12 0 1 42334.8 2561.23 2\r\n 12 0 1 37531.7 2173.87 2\r\n -12 0 -1 35854.2 2384.26 6\r\n -12 0 -2 72480.4 3630.66 4\r\n -12 0 2 70984.4 3050.33 4\r\n 12 0 -2 64486.1 3046.20 4\r\n 12 0 -2 56998.0 2826.02 7\r\n -12 0 2 62489.1 3316.48 2\r\n 12 0 2 59627.6 2539.05 2\r\n -12 0 -2 63646.9 2983.67 6\r\n 12 0 2 59601.4 3029.05 5\r\n -12 0 3 537.970 783.093 2\r\n 12 0 3 1285.57 486.890 2\r\n -12 0 -3 518.394 1120.02 3\r\n 12 0 -3 1260.11 526.436 5\r\n 12 0 -3 1298.00 521.037 1\r\n 12 0 -3 1418.49 690.076 7\r\n -12 0 3 79.1529 700.877 7\r\n 12 0 3 1011.94 690.990 4\r\n -12 0 3 862.812 421.909 4\r\n -12 0 -3 445.110 405.580 6\r\n -12 0 4 1565.54 943.953 2\r\n 12 0 4 1506.08 397.539 2\r\n 12 0 -4 1204.44 621.094 5\r\n 12 0 -4 1930.87 529.642 1\r\n -12 0 -4 1924.73 1285.06 3\r\n 12 0 -4 851.542 789.537 7\r\n 12 0 4 1710.78 901.087 4\r\n -12 0 -4 1378.01 562.303 6\r\n -12 0 4 1978.58 582.808 4\r\n 12 0 -5-42.8122 562.979 5\r\n -12 0 -5 6.80729 1360.65 3\r\n 12 0 -5-507.212 1086.47 7\r\n 12 0 -5 897.499 572.320 1\r\n 12 0 5 534.748 850.081 4\r\n -12 0 5 689.297 746.515 2\r\n 12 0 -6 1215.77 766.243 5\r\n 12 0 -6 2174.95 1309.56 7\r\n 12 0 6 281.789 1030.66 4\r\n -12 0 6 3040.79 1085.76 2\r\n 12 1 -6 1357.16 673.990 5\r\n 12 1 -6 1346.40 1065.43 7\r\n 12 -1 6 1517.40 1252.73 4\r\n -12 1 6-68.8123 439.399 2\r\n 12 1 -5 6063.48 1160.66 5\r\n -12 -1 -5 6441.00 2177.98 3\r\n 12 1 -5 5110.82 1610.40 7\r\n 12 -1 5 6518.86 1549.14 4\r\n -12 1 5 8014.02 1041.29 4\r\n -12 1 5 4068.26 1202.00 2\r\n 12 1 -4 2997.09 801.855 5\r\n 12 1 -4 2331.26 613.963 1\r\n -12 -1 -4 3208.37 1559.80 3\r\n 12 -1 4 1944.53 842.686 7\r\n 12 1 -4 1934.43 877.244 7\r\n 12 -1 4 4727.66 1347.24 4\r\n -12 -1 -4 3280.93 578.070 6\r\n -12 1 4 3209.55 702.893 4\r\n 12 -1 4 2456.24 588.080 2\r\n -12 1 4 2833.86 1003.88 2\r\n -12 -1 -3 17076.5 2416.45 3\r\n 12 -1 3 16450.0 1965.36 4\r\n -12 1 3 17601.4 1502.14 4\r\n 12 1 -3 17763.0 1395.27 1\r\n 12 -1 3 16619.8 1529.34 7\r\n 12 1 -3 13797.0 1742.92 7\r\n 12 -1 3 18344.4 1486.76 2\r\n -12 1 3 19156.0 1746.51 7\r\n -12 1 3 15507.0 1877.84 2\r\n -12 -1 -3 18278.8 1498.16 6\r\n 12 1 -3 16985.4 1335.98 5\r\n -12 -1 -2 26266.9 2193.42 4\r\n 12 -1 2 26731.5 2273.78 4\r\n -12 1 2 22513.1 1669.12 4\r\n -12 -1 -2 25610.4 1492.43 2\r\n 12 1 -2 20519.6 2050.93 4\r\n 12 1 -2 25412.9 2022.09 7\r\n -12 1 2 22196.8 2059.21 2\r\n 12 -1 2 23436.0 1734.90 2\r\n -12 -1 -2 25173.1 1877.73 6\r\n 12 1 -2 23975.4 1326.65 5\r\n -12 -1 -1 15772.1 1684.12 4\r\n -12 1 1 16755.7 1472.08 4\r\n 12 -1 1 14798.7 1538.43 4\r\n 12 1 -1 14938.6 1596.32 4\r\n -12 1 1 14806.3 1557.47 2\r\n 12 1 -1 16422.6 1522.71 7\r\n -12 -1 -1 15596.9 1381.99 2\r\n 12 -1 1 16204.2 1494.13 2\r\n 12 1 -1 15752.9 1683.63 2\r\n 12 1 0 25907.6 2007.28 2\r\n -12 1 0 30173.2 2070.90 4\r\n -12 -1 0 28896.8 2049.91 4\r\n 12 -1 0 24817.6 1836.27 4\r\n -12 1 0 26484.3 1883.77 2\r\n -12 -1 0 28593.8 1992.96 2\r\n 12 -1 0 27548.2 2023.81 2\r\n -12 1 0 27241.0 2185.67 6\r\n -12 1 -1 15823.0 1662.86 4\r\n -12 -1 1 17728.2 1605.57 4\r\n 12 -1 -1 14240.3 1364.51 4\r\n 12 -1 -1 13731.1 1185.05 7\r\n -12 -1 1 16068.0 1654.90 2\r\n 12 1 1 13644.9 1351.09 2\r\n -12 1 -1 16425.7 1679.99 6\r\n 12 1 1 15141.9 1398.85 5\r\n -12 1 -2 25925.1 2577.97 3\r\n -12 1 -2 29225.5 2398.60 4\r\n 12 1 2 24729.8 2055.45 4\r\n -12 -1 2 24835.4 2000.55 4\r\n 12 -1 -2 24977.3 1791.58 4\r\n 12 -1 -2 23396.2 1836.39 7\r\n 12 -1 -2 26571.9 1889.62 1\r\n -12 -1 2 21146.7 2120.66 2\r\n 12 1 2 25284.5 1622.37 2\r\n -12 1 -2 23808.5 1995.42 6\r\n 12 -1 -2 27654.8 2297.18 2\r\n 12 1 2 24088.1 2015.87 5\r\n -12 1 -3 15698.9 2333.66 3\r\n -12 -1 3 18836.4 2076.92 2\r\n 12 -1 -3 19144.1 1699.58 1\r\n 12 1 3 17129.9 1895.74 4\r\n -12 -1 3 16975.4 1733.86 4\r\n 12 -1 -3 17730.3 1910.88 7\r\n 12 1 3 18693.1 1185.70 2\r\n -12 1 -3 19157.9 1797.49 6\r\n 12 -1 -3 18469.7 1672.85 5\r\n -12 -1 4 2591.12 1040.52 2\r\n 12 -1 -4 4071.26 940.735 1\r\n 12 -1 -4 3596.08 1003.56 5\r\n -12 1 -4 2982.62 1393.54 3\r\n 12 -1 -4 3369.46 1118.53 7\r\n 12 1 4 3468.82 1057.88 4\r\n -12 1 -4 2930.57 838.263 6\r\n -12 -1 5 5370.46 1578.34 2\r\n 12 -1 -5 4918.50 1261.74 5\r\n -12 1 -5 1680.62 1386.08 3\r\n 12 -1 -5 5108.54 1569.06 7\r\n 12 1 5 6599.30 1579.66 4\r\n -12 -1 6-4.56107 462.384 2\r\n 12 -1 -6 282.896 1037.78 5\r\n 12 -1 -6 1654.26 995.410 7\r\n 12 1 6 1383.93 1021.59 4\r\n 12 -2 6 2781.67 1490.38 4\r\n 12 2 -6 4021.16 1584.34 7\r\n -12 2 6 2777.64 1028.74 2\r\n -12 2 6 2798.84 1178.64 6\r\n 12 2 -5 5489.48 1054.81 5\r\n -12 -2 -5 6150.01 1957.76 3\r\n 12 2 -5 8718.55 1772.83 7\r\n 12 -2 5 7317.73 1771.12 4\r\n -12 2 5 7412.87 1477.16 2\r\n 12 2 -4 3404.62 742.528 5\r\n 12 2 -4 4413.27 644.438 1\r\n -12 -2 -4 4814.85 1584.60 3\r\n 12 -2 4 4073.28 930.337 7\r\n -12 2 4 2719.51 591.776 4\r\n 12 2 -4 2462.37 1224.78 7\r\n 12 -2 4 2959.81 795.940 2\r\n -12 -2 -4 2957.60 469.636 6\r\n 12 -2 4 2191.11 1183.02 4\r\n -12 2 4 2935.33 971.087 2\r\n 12 -2 4 4580.36 1170.87 6\r\n 12 2 -3 946.807 355.109 5\r\n 12 2 -3 766.916 449.137 1\r\n -12 -2 -3 544.064 1074.05 3\r\n 12 -2 3 723.242 543.591 7\r\n 12 -2 3 690.613 720.350 4\r\n 12 2 -3-135.290 663.001 7\r\n -12 2 3 821.728 573.476 7\r\n -12 2 3 758.936 349.050 4\r\n 12 -2 3 814.442 430.514 2\r\n -12 2 3-129.135 916.755 2\r\n -12 -2 -3 915.136 493.495 6\r\n 12 -2 3 1172.97 636.406 6\r\n 12 -2 2 2783.60 548.753 7\r\n 12 -2 2 1455.39 894.967 4\r\n 12 2 -2 2086.67 783.214 7\r\n -12 -2 -2 3103.80 822.785 4\r\n -12 2 2 1605.60 493.670 4\r\n -12 2 2 2410.38 602.369 7\r\n -12 2 2 2462.80 854.754 2\r\n 12 -2 2 3488.19 828.459 2\r\n -12 2 2 2045.31 873.670 6\r\n -12 -2 -2 2826.56 559.253 2\r\n 12 2 -2 3080.92 396.353 5\r\n 12 2 -2 1935.05 989.872 4\r\n -12 2 1 19686.4 1588.32 4\r\n 12 -2 1 20359.1 1843.55 4\r\n -12 -2 -1 23725.1 1999.49 4\r\n -12 2 1 20575.0 1865.29 2\r\n 12 2 -1 15084.4 1763.26 4\r\n 12 -2 1 21487.2 1804.16 2\r\n -12 -2 -1 21916.9 1640.15 2\r\n 12 2 -1 19744.9 1953.61 2\r\n -12 2 1 18499.7 1964.75 6\r\n 12 2 0 976.189 297.302 5\r\n -12 -2 0-41.1130 571.346 2\r\n -12 2 0 457.414 392.233 4\r\n 12 -2 0 201.138 258.263 7\r\n 12 2 0 756.826 443.644 2\r\n 12 -2 0-54.4240 464.111 4\r\n -12 -2 0 1016.76 553.283 4\r\n -12 2 0 584.839 534.063 6\r\n 12 -2 0 591.704 481.514 2\r\n -12 2 -1 20138.7 1892.91 4\r\n 12 -2 -1 21013.7 1550.81 4\r\n -12 -2 1 23231.6 1978.50 4\r\n 12 2 1 18854.7 1863.23 4\r\n 12 -2 -1 19968.5 1333.10 7\r\n -12 -2 1 19880.1 1945.22 2\r\n -12 2 -1 15748.4 1745.95 6\r\n 12 2 1 22003.7 1750.24 2\r\n 12 2 1 19173.3 1588.89 5\r\n 12 2 2 3516.43 907.850 5\r\n -12 2 -2 3532.40 1146.33 3\r\n -12 -2 2 2822.11 976.681 2\r\n -12 2 -2 2713.38 857.771 4\r\n 12 -2 -2 2104.21 720.214 7\r\n 12 2 2 2248.90 914.633 4\r\n 12 2 2 1999.89 568.914 2\r\n -12 2 -2 3098.48 907.151 6\r\n -12 -2 2 3320.40 870.106 4\r\n 12 -2 -2 2478.05 773.715 1\r\n 12 -2 -2 2526.33 628.154 4\r\n 12 -2 -3 1134.58 705.848 5\r\n -12 2 -3 1836.86 1153.64 3\r\n -12 -2 3 970.649 788.314 2\r\n 12 -2 -3 882.078 632.004 7\r\n 12 2 3 660.821 723.040 4\r\n -12 2 -3 658.919 612.168 6\r\n 12 -2 -4 1983.96 1030.90 5\r\n -12 -2 4 3360.19 1135.34 2\r\n -12 2 -4 1685.28 1269.04 3\r\n 12 -2 -4 2113.98 1099.12 7\r\n 12 2 4 2810.97 1041.92 4\r\n -12 2 -4 2060.90 912.001 6\r\n 12 -2 -5 7355.33 1591.11 5\r\n -12 -2 5 8110.62 1702.21 2\r\n 12 -2 -5 6542.88 1736.32 7\r\n 12 2 5 7969.62 1612.15 4\r\n 12 -2 -6 3488.32 1419.95 5\r\n -12 -2 6 4377.52 1399.32 2\r\n 12 -2 -6 4561.94 1456.27 7\r\n 12 2 6 5716.64 1534.84 4\r\n 12 3 -6 1141.86 1020.36 7\r\n 12 -3 6 329.885 1139.09 4\r\n -12 3 6 841.515 939.367 6\r\n -12 -3 -5 2923.73 1647.90 3\r\n 12 -3 5 2374.73 1392.13 4\r\n 12 3 -5 3119.09 1574.37 7\r\n -12 3 5 3446.08 1054.09 6\r\n -12 -3 -4 15919.5 2700.08 3\r\n -12 3 4 16255.4 1008.74 4\r\n 12 -3 4 17400.2 2397.11 4\r\n 12 -3 4 16345.2 1608.71 7\r\n 12 3 -4 15166.9 2240.35 7\r\n -12 -3 -4 15545.3 768.628 6\r\n -12 3 4 13561.9 1988.49 6\r\n 12 3 -4 16030.8 949.194 1\r\n -12 -3 -3 11892.0 2154.89 3\r\n -12 3 3 11421.7 991.055 4\r\n 12 -3 3 13401.4 1925.22 4\r\n -12 -3 -3 12196.6 842.459 2\r\n 12 -3 3 11783.6 1190.04 7\r\n -12 3 3 14134.3 1469.67 7\r\n 12 3 -3 11471.6 1791.75 7\r\n -12 3 3 12152.0 1764.13 6\r\n -12 -3 -2 1218.59 480.213 2\r\n 12 -3 2 1823.43 771.653 4\r\n -12 3 2 2409.82 593.732 4\r\n 12 -3 2 1720.18 402.423 7\r\n -12 3 2 1849.74 534.656 7\r\n 12 3 -2 663.831 739.758 7\r\n 12 -3 2 2244.35 749.589 2\r\n -12 3 2 2579.66 975.520 6\r\n 12 3 -1 18066.8 2077.42 4\r\n -12 3 1 18346.8 1586.01 4\r\n 12 -3 1 19664.8 1926.46 4\r\n -12 -3 -1 21678.5 2024.14 4\r\n 12 -3 1 23818.0 2039.22 2\r\n -12 -3 -1 21773.4 1775.14 2\r\n -12 3 1 18109.5 2068.68 6\r\n 12 -3 1 21916.1 2245.79 6\r\n 12 3 -1 19707.5 760.916 5\r\n -12 3 0 8165.89 1204.76 4\r\n 12 -3 0 8243.79 1154.32 4\r\n -12 -3 0 6064.97 1233.84 2\r\n -12 -3 0 9419.71 1368.27 4\r\n -12 3 0 8067.11 1527.59 6\r\n 12 -3 0 7951.27 1303.27 2\r\n 12 3 0 8403.95 1489.56 4\r\n 12 3 0 8542.66 912.210 5\r\n -12 3 -1 21473.5 2093.85 4\r\n 12 -3 -1 21130.3 1566.07 4\r\n 12 -3 -1 20555.6 1256.28 7\r\n 12 3 1 24108.6 2195.94 4\r\n -12 -3 1 19970.4 2107.24 2\r\n -12 3 -1 20035.4 2148.35 6\r\n 12 3 1 21661.7 1724.74 5\r\n -12 3 -1 20695.3 2266.60 3\r\n 12 3 2 1635.99 730.086 5\r\n -12 3 -2 1841.87 893.723 3\r\n -12 -3 2 1704.46 1032.15 2\r\n 12 -3 -2 1701.80 613.338 7\r\n -12 3 -2 989.110 652.460 6\r\n 12 3 2 516.039 626.839 4\r\n 12 -3 -2 1940.51 545.884 4\r\n 12 -3 -3 9945.14 1534.19 5\r\n -12 3 -3 12960.9 2363.80 3\r\n -12 -3 3 10771.8 1865.33 2\r\n 12 3 3 11517.7 1690.77 4\r\n 12 -3 -3 10951.8 1544.65 7\r\n -12 3 -3 11592.5 1739.97 6\r\n -12 3 -4 19266.5 2993.66 3\r\n 12 3 4 15417.0 1990.75 4\r\n 12 -3 -4 16429.1 2083.06 7\r\n -12 -3 4 16961.1 2331.28 2\r\n -12 3 -4 14896.5 1998.50 6\r\n 12 -3 -4 18671.7 2235.89 5\r\n 12 -3 -5 3330.09 1287.42 5\r\n -12 -3 5 3055.10 1243.95 2\r\n 12 -3 -5 3114.37 1247.22 7\r\n 12 3 5 3531.80 1156.93 4\r\n 12 -3 -6 1305.17 1017.77 5\r\n -12 -3 6 3422.72 1464.97 2\r\n 12 -3 -6 2702.88 1078.44 7\r\n 12 3 6 1314.83 1115.65 4\r\n 12 4 -6 4624.82 1923.75 7\r\n 12 -4 6 5335.17 1725.97 4\r\n -12 -4 -6 4607.71 1800.33 5\r\n 12 -4 5 1629.56 974.816 4\r\n 12 4 -5 1166.66 1119.54 7\r\n -12 4 5 1922.18 701.055 6\r\n -12 -4 -5 537.960 1058.71 5\r\n -12 -4 -4-965.692 1068.45 3\r\n 12 -4 4-518.952 746.394 4\r\n 12 4 -4-68.0838 991.409 7\r\n -12 4 4 84.7505 667.915 6\r\n -12 -4 -4 93.3518 847.296 5\r\n -12 -4 -3 4010.17 613.356 2\r\n -12 -4 -3 4295.44 1413.12 3\r\n 12 -4 3 3998.62 1367.86 4\r\n -12 4 3 3403.22 885.225 7\r\n 12 -4 3 4652.84 649.413 7\r\n 12 4 -3 6013.39 1374.07 7\r\n -12 4 3 4673.05 1159.52 6\r\n -12 -4 -3 2580.62 977.270 5\r\n -12 -4 -2 1046.15 548.060 2\r\n 12 -4 2 1519.74 909.177 4\r\n -12 4 2 1327.06 470.552 7\r\n 12 4 -2 1389.33 927.672 7\r\n -12 4 2 1424.83 863.668 6\r\n -12 -4 -2 2068.85 738.895 5\r\n -12 -4 -1 5893.88 1089.65 2\r\n 12 -4 1 6176.41 1221.98 4\r\n -12 4 1 5883.86 1374.10 6\r\n 12 4 -1 7538.73 1631.64 4\r\n 12 -4 0 31218.2 2177.69 4\r\n -12 -4 0 26598.0 2325.41 2\r\n -12 4 0 27873.1 2636.40 6\r\n 12 4 0 30729.1 1490.90 5\r\n -12 4 -1 8305.73 1539.85 3\r\n 12 4 1 6818.10 1017.44 5\r\n 12 -4 -1 7433.24 990.691 4\r\n -12 -4 1 6830.57 1365.48 2\r\n -12 4 -1 9512.25 1654.77 6\r\n 12 4 1 6693.56 1390.88 4\r\n 12 4 2 1351.69 668.486 5\r\n -12 4 -2 1770.38 1022.00 3\r\n -12 -4 2 143.389 1041.16 2\r\n -12 4 -2 113.289 996.980 6\r\n 12 -4 -2 699.426 424.259 4\r\n 12 4 2 770.737 834.561 4\r\n 12 -4 -3 3929.89 1155.45 5\r\n -12 4 -3 4635.75 1340.47 3\r\n -12 -4 3 3677.22 1328.77 2\r\n -12 4 -3 5042.38 1377.07 6\r\n 12 4 3 3996.13 1195.37 4\r\n 12 -4 -4 186.642 788.488 5\r\n -12 4 -4-616.941 1096.50 3\r\n -12 -4 4 828.194 964.955 2\r\n 12 4 4 405.637 799.506 4\r\n 12 -4 -5 1185.71 1209.91 5\r\n -12 -4 5 400.776 980.592 2\r\n 12 4 5 1058.65 867.717 4\r\n 12 -4 -6 4310.77 1577.42 5\r\n -12 -4 6 7870.12 1802.38 2\r\n 12 4 6 4578.89 1295.82 4\r\n 12 -5 5 3030.90 1535.36 4\r\n 12 5 -5 3884.30 1417.84 7\r\n -12 5 5 5702.31 1270.52 6\r\n -12 -5 -5 2165.77 1373.85 5\r\n -12 -5 -4 5568.55 1865.43 3\r\n 12 -5 4 5347.41 1782.48 4\r\n 12 5 -4 4641.67 1390.46 7\r\n -12 5 4 6255.76 1417.44 6\r\n -12 -5 -4 3780.95 1263.83 5\r\n -12 -5 -3 7210.50 1760.99 3\r\n -12 -5 -3 4802.62 856.402 2\r\n 12 -5 3 4751.42 1286.41 4\r\n -12 5 3 4645.43 954.137 7\r\n 12 5 -3 7099.83 1571.82 7\r\n -12 5 3 5070.31 1515.39 6\r\n -12 -5 -3 6435.88 1443.54 5\r\n -12 -5 -2 1072.47 610.108 2\r\n 12 -5 2 1324.42 720.577 4\r\n -12 5 2 2047.00 502.266 7\r\n -12 5 2 1976.68 915.265 6\r\n 12 5 -2 1854.09 834.606 7\r\n -12 -5 -2 1005.70 979.410 3\r\n -12 -5 -2 455.602 629.325 5\r\n 12 -5 1 164.188 678.525 4\r\n -12 -5 -1 8.32891 650.504 2\r\n -12 5 1-439.130 656.762 6\r\n -12 -5 -1-940.148 570.819 5\r\n -12 5 0 3062.49 1062.18 3\r\n -12 -5 0 4395.70 1029.38 2\r\n 12 -5 0 3860.70 877.600 4\r\n -12 5 0 3399.32 1185.20 6\r\n 12 5 0 1048.47 1132.30 4\r\n -12 5 -1 495.277 753.621 3\r\n 12 5 1 364.614 363.860 5\r\n -12 -5 1-1594.75 1023.62 2\r\n 12 -5 -1 135.769 421.983 4\r\n -12 5 -1-1383.68 1005.12 6\r\n 12 5 1-32.5097 874.603 4\r\n 12 5 2 1255.41 708.885 5\r\n -12 5 -2 1989.85 1085.38 3\r\n -12 -5 2 2182.26 1113.95 2\r\n -12 5 -2 1213.18 1041.18 6\r\n 12 -5 -2 946.629 388.713 4\r\n 12 5 2 141.862 825.516 4\r\n 12 -5 -3 6923.64 1477.40 5\r\n -12 5 -3 7182.28 1982.11 3\r\n -12 -5 3 5370.20 1754.77 2\r\n -12 5 -3 6751.32 1580.66 6\r\n 12 5 3 4826.95 1252.81 4\r\n 12 -5 -4 5436.18 1427.63 5\r\n -12 -5 4 2956.41 1308.23 2\r\n 12 5 4 4097.74 1265.03 4\r\n 12 -5 -5 4029.58 1681.77 5\r\n -12 -5 5 3409.94 1265.75 2\r\n 12 5 5 1303.02 1094.87 4\r\n -12 -6 -4 724.440 740.581 5\r\n -12 -6 -4 30.5448 1308.13 3\r\n 12 -6 4 521.543 1253.12 4\r\n 12 6 -4 435.381 1023.44 7\r\n -12 6 4 1027.87 1115.03 6\r\n -12 -6 -3 1041.72 966.348 5\r\n -12 -6 -3 2701.30 1225.79 3\r\n 12 -6 3 1342.11 1211.35 4\r\n 12 6 -3-275.324 866.796 7\r\n -12 6 3 1907.30 1100.64 6\r\n -12 -6 -2 10443.7 1545.90 5\r\n -12 -6 -2 10419.9 1736.20 3\r\n -12 -6 -2 8303.67 1375.70 2\r\n 12 -6 2 5180.87 1467.80 4\r\n 12 6 -2 8645.02 1652.72 7\r\n -12 6 2 6728.48 1596.03 6\r\n -12 6 1 8691.42 1395.24 3\r\n 12 -6 1 8404.40 1614.30 4\r\n -12 -6 -1 9711.39 1581.96 2\r\n -12 6 1 10047.1 1859.32 6\r\n -12 -6 -1 10242.0 1333.53 5\r\n -12 6 0 1480.45 826.444 3\r\n 12 -6 0 881.756 586.702 4\r\n -12 -6 0-11.4218 805.764 2\r\n -12 6 0 2997.35 1092.05 6\r\n -12 6 -1 11731.6 1877.45 3\r\n 12 -6 -1 9856.72 1239.97 4\r\n -12 -6 1 10111.8 1913.08 2\r\n -12 6 -1 9176.54 1981.90 6\r\n 12 6 1 8453.06 1893.98 4\r\n 12 6 1 10149.3 1208.13 5\r\n 12 -6 -2 6781.63 1566.41 5\r\n -12 6 -2 7797.09 1810.12 3\r\n -12 -6 2 6222.49 1689.55 2\r\n -12 6 -2 7880.53 1849.58 6\r\n 12 6 2 5768.31 1538.73 4\r\n 12 -6 -3 1286.73 1088.13 5\r\n -12 -6 3 2702.66 1163.15 2\r\n 12 6 3 168.183 970.468 4\r\n 12 -6 -4 1121.73 596.935 5\r\n -12 -6 4 2309.58 1232.43 2\r\n 12 6 4-26.4601 1088.72 4\r\n -12 -7 -4-1035.33 1012.58 5\r\n 12 -7 4-224.244 1122.32 4\r\n 12 7 -4 2230.33 1280.71 7\r\n -12 7 4 1519.64 1019.39 6\r\n -12 -7 -3 2196.76 1151.85 5\r\n 12 7 -3 2611.69 1036.86 7\r\n 12 -7 3 1221.17 1102.26 4\r\n -12 7 3 1905.04 1105.92 6\r\n -12 -7 -2 8749.58 1374.10 5\r\n 12 7 -2 4069.80 1403.15 7\r\n 12 -7 2 5284.57 1598.68 4\r\n -12 -7 -2 3517.37 1004.85 2\r\n -12 7 2 4671.61 1442.96 6\r\n -12 -7 -1 1066.84 625.376 5\r\n 12 -7 1 651.682 928.811 4\r\n -12 -7 -1 752.653 906.348 2\r\n 12 7 -1 478.976 594.634 1\r\n -12 7 1 607.270 728.889 6\r\n -12 7 0-475.524 630.106 3\r\n 12 -7 0 88.9081 628.803 4\r\n -12 -7 0 182.091 885.016 2\r\n -12 7 0 194.699 932.986 6\r\n -12 7 -1-208.314 920.657 3\r\n 12 -7 -1 189.244 561.853 4\r\n -12 -7 1 118.936 992.774 2\r\n -12 7 -1 2624.77 1212.46 6\r\n 12 -7 -2 4211.37 1445.85 5\r\n -12 -7 2 4185.93 1593.96 2\r\n -12 7 -2 2136.70 1259.61 6\r\n 12 -7 -3 1731.14 1051.36 5\r\n -12 -7 3 969.469 876.035 2\r\n 12 7 3 4090.26 1290.66 4\r\n 12 -7 -4 3300.89 1512.81 5\r\n -12 -7 4 4293.99 1628.48 2\r\n 12 -8 2 1464.12 1185.63 4\r\n 12 8 -2 18.2984 1109.61 7\r\n -12 8 2 623.053 1341.65 6\r\n 12 -8 1 831.562 921.094 4\r\n -12 -8 -1 515.240 833.181 2\r\n -12 8 1-958.650 1230.20 6\r\n 12 -8 0-1131.11 805.264 4\r\n -12 -8 0-595.587 906.318 2\r\n -12 8 0-940.174 1094.99 6\r\n 12 8 0-126.146 791.476 1\r\n -12 8 -1 144.661 1130.05 6\r\n 12 8 1 911.400 927.406 1\r\n -12 -8 1 5.68181 1029.00 2\r\n 12 -8 -2 296.019 418.953 5\r\n 12 8 2 1394.24 1179.75 1\r\n -12 -8 2 601.699 1524.74 2\r\n 13 0 0 51.8011 460.422 2\r\n -13 0 0 350.400 366.440 4\r\n 13 0 0-80.8962 650.845 4\r\n -13 0 0 348.795 490.901 2\r\n 13 0 1 2774.37 711.692 2\r\n 13 0 -1 2459.34 763.042 2\r\n -13 0 -1 3557.14 868.953 4\r\n 13 0 -1 2501.63 659.496 7\r\n -13 0 1 3061.03 723.863 4\r\n -13 0 -1 2558.46 686.997 2\r\n 13 0 -1 2600.08 746.253 4\r\n -13 0 -1 2048.01 793.240 6\r\n -13 0 1 2286.08 900.044 2\r\n 13 0 2 11147.3 1537.49 4\r\n -13 0 2 9405.13 1253.85 4\r\n 13 0 -2 10792.1 1404.49 4\r\n 13 0 -2 9722.00 1278.08 7\r\n -13 0 2 12029.5 1613.30 2\r\n 13 0 2 9424.80 1129.59 2\r\n -13 0 -2 10644.7 1518.43 4\r\n -13 0 -2 10558.8 1375.96 6\r\n 13 0 2 9203.97 1277.60 5\r\n -13 0 -3 24162.3 2865.47 3\r\n 13 0 3 27112.0 2477.31 4\r\n 13 0 -3 28207.0 1980.43 1\r\n -13 0 3 25178.2 2031.12 4\r\n 13 0 -3 27196.2 2342.03 7\r\n -13 0 3 25464.2 2418.92 2\r\n 13 0 3 27600.5 1737.44 2\r\n -13 0 -3 28055.1 2104.10 6\r\n 13 0 -3 25076.1 1830.12 5\r\n 13 0 -4 4898.36 972.083 5\r\n -13 0 -4 6535.82 1910.46 3\r\n 13 0 -4 4248.96 949.184 1\r\n 13 0 4 6416.86 770.590 2\r\n 13 0 -4 3605.58 1132.37 7\r\n 13 0 4 5565.75 1357.13 4\r\n -13 0 -4 4799.01 870.386 6\r\n -13 0 4 5824.60 1059.80 4\r\n -13 0 4 3207.73 1052.87 2\r\n 13 0 -5 3923.37 956.073 5\r\n -13 0 -5 2017.98 1669.69 3\r\n 13 0 -5 1555.68 1153.43 7\r\n 13 0 5 2652.92 1159.18 4\r\n -13 0 5 2990.27 984.266 2\r\n 13 0 -6 1048.20 815.673 5\r\n 13 0 -6-560.922 755.585 7\r\n 13 0 6 1815.89 1179.60 4\r\n -13 0 6 855.111 1111.36 2\r\n 13 1 -6-22.9496 1100.15 7\r\n 13 -1 6 1332.96 1144.31 4\r\n -13 1 6-372.376 789.379 2\r\n 13 1 -5 2258.93 861.799 5\r\n -13 -1 -5 3228.77 1753.18 3\r\n 13 1 -5 750.306 1105.35 7\r\n 13 -1 5 3377.82 1421.18 4\r\n -13 1 5 3787.63 1058.57 2\r\n 13 1 -4 1701.54 616.690 5\r\n -13 -1 -4 2833.08 1578.06 3\r\n 13 1 -4 1365.71 594.329 1\r\n 13 1 -4 3077.95 1046.22 7\r\n 13 -1 4 1884.96 944.140 4\r\n -13 1 4 1665.55 618.498 4\r\n -13 -1 -4 743.826 406.112 6\r\n 13 -1 4 1885.31 538.752 2\r\n -13 1 4 1522.21 697.598 2\r\n -13 -1 -3 818.637 1191.95 3\r\n 13 1 -3 1799.12 575.934 5\r\n 13 1 -3 1930.77 577.103 1\r\n 13 -1 3 2010.71 613.505 7\r\n -13 1 3 1494.11 649.825 7\r\n 13 1 -3 1795.56 959.027 7\r\n -13 1 3 1862.96 553.005 4\r\n -13 -1 -3 1838.90 575.989 6\r\n 13 -1 3 2054.85 943.246 4\r\n -13 1 3 2042.39 831.975 2\r\n 13 -1 3 1931.42 668.244 2\r\n -13 -1 -2 36274.2 2663.86 4\r\n 13 -1 2 35831.4 2619.55 4\r\n -13 1 2 34743.7 2152.92 4\r\n -13 -1 -2 31561.3 1761.14 2\r\n 13 1 -2 31335.3 2470.83 4\r\n -13 1 2 32060.3 2511.44 2\r\n 13 1 -2 32504.1 2292.90 7\r\n 13 -1 2 31063.2 2084.39 2\r\n -13 -1 -2 31612.1 2214.23 6\r\n -13 1 1 10503.3 1272.30 4\r\n 13 -1 1 11515.8 1380.83 4\r\n 13 1 -1 8495.21 1237.73 4\r\n -13 1 1 9830.99 1393.47 2\r\n -13 -1 -1 9581.38 1152.98 2\r\n 13 1 -1 8307.05 1229.46 7\r\n 13 -1 1 10351.6 1287.23 2\r\n -13 -1 -1 9189.46 1359.88 4\r\n 13 1 -1 10710.4 1473.30 2\r\n -13 -1 0 3312.60 840.478 2\r\n 13 -1 0 3214.29 737.815 2\r\n 13 1 0 2231.02 847.527 2\r\n -13 1 0 3609.86 831.225 4\r\n -13 -1 0 2596.81 791.307 4\r\n 13 -1 0 2321.25 771.725 4\r\n -13 1 0 2302.47 729.805 2\r\n -13 1 0 2213.95 880.346 6\r\n 13 -1 -1 8881.78 1332.77 2\r\n -13 1 -1 9656.82 1295.67 4\r\n -13 -1 1 8676.82 1180.48 4\r\n 13 -1 -1 7998.89 1124.32 4\r\n 13 -1 -1 8769.94 981.692 7\r\n -13 -1 1 10687.7 1425.69 2\r\n 13 1 1 9738.93 1214.59 2\r\n -13 1 -1 9357.77 1397.77 6\r\n 13 1 1 8528.41 1088.56 5\r\n -13 1 -2 34813.5 3140.79 3\r\n 13 1 2 30335.3 2403.70 4\r\n -13 -1 2 31797.0 2333.73 4\r\n 13 -1 -2 35491.8 2175.42 4\r\n 13 -1 -2 30563.5 2138.51 7\r\n 13 -1 -2 33382.8 2152.15 1\r\n -13 -1 2 30814.7 2505.75 2\r\n 13 1 2 30542.4 1897.88 2\r\n -13 1 -2 29120.4 2346.40 6\r\n 13 1 2 31898.5 2318.55 5\r\n -13 -1 3 2528.88 1055.97 2\r\n 13 -1 -3 1279.78 695.277 1\r\n -13 1 -3 1390.44 1121.84 3\r\n 13 -1 -3 816.870 551.650 5\r\n 13 1 3 2069.64 506.140 2\r\n 13 -1 -3 2595.01 880.561 7\r\n 13 1 3 3402.67 922.534 4\r\n -13 1 -3 1843.48 761.581 6\r\n -13 -1 3 2135.66 706.119 4\r\n 13 -1 -3 2184.35 804.549 4\r\n -13 -1 4 1674.13 793.698 2\r\n 13 -1 -4 1908.70 791.771 5\r\n -13 1 -4 486.934 1447.51 3\r\n 13 -1 -4 2560.40 907.888 7\r\n 13 1 4 1512.23 924.867 4\r\n -13 1 -4 1206.81 706.829 6\r\n -13 -1 5 2552.77 1031.09 2\r\n 13 -1 -5 4677.79 1228.69 5\r\n -13 1 -5 3244.67 1576.53 3\r\n 13 -1 -5 2584.16 1262.42 7\r\n 13 1 5 3092.12 1139.20 4\r\n -13 -1 6 2228.42 1059.82 2\r\n 13 -1 -6 1112.28 1008.85 5\r\n 13 -1 -6 2669.51 1253.90 7\r\n 13 1 6 1190.10 1076.12 4\r\n 13 2 -6-11.7579 1156.50 7\r\n 13 -2 6-266.773 1418.30 4\r\n -13 2 6 1854.49 693.256 2\r\n -13 2 6 452.330 570.367 6\r\n 13 2 -5 3178.64 767.380 5\r\n -13 -2 -5 1556.52 1710.41 3\r\n 13 2 -5 3808.13 1326.83 7\r\n 13 -2 5 3654.93 1597.44 4\r\n -13 2 5 3907.46 1147.39 2\r\n 13 2 -4 10034.5 1035.18 1\r\n -13 -2 -4 12029.0 2524.79 3\r\n -13 2 4 8627.89 1035.89 4\r\n 13 -2 4 11265.8 1386.58 2\r\n 13 -2 4 10080.4 1430.53 7\r\n 13 2 -4 9532.07 1864.20 7\r\n 13 -2 4 11380.7 1900.24 4\r\n -13 -2 -4 11132.2 1005.01 6\r\n -13 2 4 11011.7 1753.52 2\r\n 13 -2 4 8544.18 1581.31 6\r\n 13 2 -4 11612.9 1103.78 5\r\n -13 -2 -3 16347.1 2500.13 3\r\n 13 -2 3 13226.6 1889.34 4\r\n -13 2 3 13369.8 1281.66 4\r\n 13 -2 3 16283.3 1502.11 7\r\n -13 2 3 15115.8 1865.69 2\r\n 13 -2 3 13603.9 1503.79 2\r\n 13 2 -3 13507.3 1883.11 7\r\n -13 2 3 16556.5 1640.16 7\r\n 13 2 -3 14069.4 1215.60 1\r\n -13 -2 -3 17146.3 1511.79 6\r\n -13 2 3 14881.7 2006.15 6\r\n 13 2 -3 14938.9 1053.81 5\r\n 13 -2 2 6342.06 808.658 7\r\n -13 -2 -2 6685.15 871.152 2\r\n -13 2 2 5752.39 878.237 4\r\n 13 2 -2 5618.26 1046.67 7\r\n 13 -2 2 5258.02 1095.54 4\r\n -13 2 2 4433.25 1043.50 2\r\n 13 -2 2 6121.20 1024.95 2\r\n -13 2 2 5722.62 1248.27 6\r\n 13 2 -2 5772.86 566.241 5\r\n 13 2 -2 7204.01 1410.98 4\r\n -13 2 1 13836.5 1424.45 4\r\n 13 -2 1 13418.4 1597.03 4\r\n -13 -2 -1 14516.0 1713.53 4\r\n -13 2 1 14262.5 1581.72 2\r\n 13 2 -1 14493.5 1769.72 4\r\n 13 -2 1 14357.4 1587.28 2\r\n -13 -2 -1 12980.7 1362.37 2\r\n 13 2 -1 17000.5 1875.72 2\r\n -13 2 1 13002.1 1734.68 6\r\n -13 2 0 26165.6 2087.12 4\r\n 13 -2 0 28225.1 2000.77 4\r\n -13 -2 0 30724.3 2323.98 4\r\n 13 -2 0 32515.6 1393.81 7\r\n 13 -2 0 28050.4 2223.61 2\r\n -13 -2 0 25813.6 2057.31 2\r\n 13 2 0 27031.0 2182.28 2\r\n -13 2 0 25790.0 2301.92 6\r\n 13 2 0 29645.3 1684.03 5\r\n -13 2 -1 13882.0 1665.62 4\r\n 13 -2 -1 13025.5 1344.96 4\r\n -13 -2 1 12660.1 1559.46 4\r\n 13 -2 -1 12616.7 1136.11 7\r\n 13 -2 -1 13930.7 1692.17 2\r\n -13 -2 1 12175.1 1579.88 2\r\n -13 2 -1 11351.1 1571.98 6\r\n 13 2 1 13977.4 1475.95 2\r\n 13 2 1 13045.3 1614.97 4\r\n 13 2 1 12863.6 1374.70 5\r\n 13 2 2 4326.03 993.169 5\r\n -13 2 -2 5175.22 1374.16 3\r\n -13 -2 2 6590.14 1300.66 2\r\n 13 -2 -2 6551.73 965.621 4\r\n 13 -2 -2 6158.58 1009.47 7\r\n 13 2 2 7555.97 984.375 2\r\n 13 2 2 6348.56 1266.74 4\r\n -13 2 -2 5958.33 1217.40 6\r\n -13 2 -3 13847.3 2316.60 3\r\n 13 2 3 13914.3 1801.66 4\r\n 13 -2 -3 13491.5 1718.11 7\r\n 13 -2 -3 13792.4 1474.79 4\r\n -13 -2 3 15102.2 2112.13 2\r\n -13 2 -3 15016.1 1784.40 6\r\n 13 -2 -3 15421.9 1734.58 5\r\n 13 -2 -4 10328.8 1625.02 5\r\n -13 -2 4 8881.31 1721.42 2\r\n -13 2 -4 11862.8 2361.83 3\r\n 13 2 4 13088.2 1867.30 4\r\n 13 -2 -4 10996.6 1804.33 7\r\n -13 2 -4 8620.23 1562.45 6\r\n 13 -2 -5 2281.58 1133.72 5\r\n -13 -2 5 3343.81 1408.43 2\r\n -13 2 -5 1055.70 1574.56 3\r\n 13 -2 -5 6770.95 1464.61 7\r\n 13 2 5 3055.48 1217.25 4\r\n 13 -2 -6 826.240 986.659 5\r\n -13 -2 6-2310.93 1419.67 2\r\n 13 -2 -6-1040.10 1058.24 7\r\n 13 2 6 365.250 1062.43 4\r\n 13 3 -6 5411.67 1577.33 7\r\n 13 -3 6 2896.11 1436.80 4\r\n -13 -3 -5-441.889 1519.99 3\r\n 13 3 -5 408.981 855.579 7\r\n 13 -3 5 635.259 1189.70 4\r\n -13 3 5 1618.76 699.257 6\r\n -13 -3 -4 4749.35 1849.56 3\r\n 13 -3 4 5459.47 1045.88 7\r\n 13 -3 4 3575.65 1248.77 4\r\n 13 3 -4 5952.24 1482.05 7\r\n -13 -3 -4 5503.18 627.791 6\r\n -13 3 4 5021.81 1297.39 6\r\n -13 -3 -3 5217.69 1679.09 3\r\n 13 -3 3 4455.86 766.780 7\r\n -13 3 3 4159.73 672.960 4\r\n 13 -3 3 4745.06 1272.36 4\r\n 13 3 -3 5008.58 1192.57 7\r\n -13 3 3 4270.77 881.173 7\r\n -13 -3 -3 4398.79 565.695 2\r\n -13 3 3 5089.53 1237.20 6\r\n -13 -3 -2 2082.14 587.297 2\r\n -13 3 2 1897.79 565.434 4\r\n 13 -3 2 2536.39 456.790 7\r\n 13 -3 2 2742.93 922.540 4\r\n 13 3 -2 1953.04 879.408 7\r\n -13 3 2 1840.13 568.788 7\r\n 13 -3 2 2613.44 744.080 2\r\n -13 3 2 1689.96 975.562 6\r\n -13 3 1 37765.5 2360.19 4\r\n 13 -3 1 36901.7 2612.35 4\r\n 13 3 -1 43172.1 3194.78 4\r\n -13 3 1 38297.5 3032.23 6\r\n 13 3 -1 40061.8 1268.78 5\r\n -13 -3 -1 39016.4 2421.65 2\r\n -13 3 0 24087.0 2109.29 4\r\n 13 -3 0 26308.2 1988.88 4\r\n 13 -3 0 25812.0 867.978 7\r\n 13 3 0 25147.4 2416.19 4\r\n -13 -3 0 27321.8 2236.45 2\r\n -13 3 0 25990.4 2518.79 6\r\n 13 3 0 26932.2 1577.28 5\r\n -13 3 -1 40200.6 2917.92 4\r\n 13 -3 -1 40532.5 2228.15 4\r\n 13 3 1 40109.4 2834.95 4\r\n 13 -3 -1 38454.1 1717.76 7\r\n -13 -3 1 35932.2 2828.95 2\r\n -13 3 -1 39948.6 3060.22 6\r\n 13 3 1 42210.6 2442.56 5\r\n 13 3 2 2652.28 755.884 5\r\n -13 3 -2 2755.45 1127.09 3\r\n -13 -3 2 1451.02 914.102 2\r\n 13 -3 -2 2034.16 616.774 7\r\n -13 3 -2 2361.65 853.791 6\r\n 13 3 2 2709.21 955.339 4\r\n 13 -3 -2 1742.34 564.404 4\r\n 13 -3 -3 4838.45 1128.31 5\r\n -13 3 -3 3819.29 1565.58 3\r\n -13 -3 3 5053.65 1345.26 2\r\n 13 -3 -3 6383.63 916.811 4\r\n 13 -3 -3 5248.58 1125.54 7\r\n -13 3 -3 3764.26 1083.49 6\r\n 13 3 3 4966.07 1202.83 4\r\n 13 -3 -4 3523.66 1124.28 5\r\n -13 -3 4 4745.87 1418.55 2\r\n -13 3 -4 4478.77 1766.70 3\r\n 13 -3 -4 4080.19 1247.58 7\r\n -13 3 -4 3465.41 1143.86 6\r\n 13 3 4 4088.17 1347.99 4\r\n 13 -3 -5 673.661 857.639 5\r\n -13 -3 5 964.653 557.976 2\r\n -13 3 -5 2370.95 1250.42 3\r\n 13 -3 -5 1423.89 642.167 7\r\n 13 3 5 93.3610 653.962 4\r\n 13 -3 -6 1737.07 1105.33 5\r\n -13 -3 6 4614.93 1269.61 2\r\n 13 -3 -6 2040.64 867.304 7\r\n 13 3 6 1542.76 1215.31 4\r\n -13 -4 -5 3916.26 1784.13 3\r\n 13 4 -5 4024.74 1418.53 7\r\n 13 -4 5 3231.74 1405.80 4\r\n -13 4 5 3517.00 975.998 6\r\n -13 -4 -4 5089.64 1811.56 3\r\n 13 -4 4 7005.65 1742.35 4\r\n 13 4 -4 5995.06 1544.75 7\r\n -13 4 4 7822.36 1548.04 6\r\n -13 -4 -4 5665.94 1421.94 5\r\n -13 -4 -3-129.309 1035.00 3\r\n 13 -4 3-912.205 923.100 4\r\n 13 -4 3 287.439 306.388 7\r\n 13 4 -3-454.405 1124.19 7\r\n -13 4 3 583.462 470.179 7\r\n -13 4 3-3.91294 654.060 6\r\n -13 -4 -3 349.578 313.723 2\r\n 13 -4 2 11178.4 1669.31 4\r\n -13 4 2 10270.3 1038.06 7\r\n -13 -4 -2 9298.09 1170.89 2\r\n 13 4 -2 11463.7 1764.34 7\r\n -13 4 2 10694.1 1746.59 6\r\n 13 -4 1 10919.2 1549.77 4\r\n -13 -4 -1 9470.29 1439.30 2\r\n -13 4 1 8774.57 1689.14 6\r\n 13 4 -1 10045.6 1797.26 4\r\n 13 4 0 1760.62 449.091 5\r\n -13 -4 0 2018.39 852.615 2\r\n 13 -4 0 2905.99 824.206 4\r\n -13 4 0 2353.10 1144.79 6\r\n 13 4 0 1605.94 1033.59 4\r\n -13 4 -1 9264.48 1637.36 3\r\n 13 -4 -1 10089.5 1177.16 4\r\n -13 -4 1 8701.72 1608.59 2\r\n 13 4 1 10618.9 1641.14 4\r\n -13 4 -1 9979.61 1772.29 6\r\n 13 4 1 10890.0 1269.99 5\r\n 13 4 2 10103.3 1457.83 5\r\n -13 4 -2 10658.6 1936.53 3\r\n 13 -4 -2 9676.19 1056.53 4\r\n -13 -4 2 10271.7 1909.68 2\r\n -13 4 -2 9681.74 1689.55 6\r\n 13 4 2 10325.1 1657.10 4\r\n 13 -4 -3-241.604 821.435 5\r\n -13 4 -3-359.979 728.218 3\r\n -13 -4 3-803.188 962.835 2\r\n -13 4 -3 833.567 576.024 6\r\n 13 4 3-370.381 907.472 4\r\n 13 -4 -4 3147.99 974.783 5\r\n -13 4 -4 6346.64 1881.20 3\r\n -13 -4 4 4380.36 1388.38 2\r\n -13 4 -4 5146.88 1454.59 6\r\n 13 4 4 3632.44 1250.13 4\r\n 13 -4 -5 4182.62 1461.68 5\r\n -13 -4 5 4966.73 1618.41 2\r\n 13 4 5 4278.72 1373.59 4\r\n 13 -5 5 723.010 1230.96 4\r\n 13 5 -5 1178.07 1258.21 7\r\n -13 5 5 2934.48 1040.52 6\r\n -13 -5 -5 4275.55 1336.94 5\r\n -13 -5 -4 475.410 1243.29 3\r\n 13 -5 4 293.787 1109.37 4\r\n 13 5 -4-382.332 1081.45 7\r\n -13 5 4-443.022 810.965 6\r\n -13 -5 -4-684.752 894.024 5\r\n -13 -5 -3 1998.64 620.970 2\r\n -13 -5 -3 3530.08 1312.88 3\r\n 13 -5 3 1951.64 1005.59 4\r\n 13 5 -3 810.274 885.315 7\r\n -13 5 3 2348.53 1189.15 6\r\n -13 -5 -3 1597.95 829.058 5\r\n -13 -5 -2-192.512 587.805 2\r\n 13 -5 2 1185.56 837.591 4\r\n -13 5 2-851.449 400.976 7\r\n 13 5 -2 102.772 752.148 7\r\n -13 5 2-1457.57 896.929 6\r\n -13 -5 -2 892.815 568.392 5\r\n -13 -5 -1 1663.75 816.214 2\r\n 13 -5 1 1630.93 830.273 4\r\n -13 5 1 1736.82 1191.64 6\r\n -13 5 0 3168.94 1046.51 3\r\n 13 5 0 4315.68 582.059 5\r\n -13 -5 0 2921.41 1115.74 2\r\n 13 -5 0 4510.51 998.632 4\r\n -13 5 0 1331.40 769.698 6\r\n 13 5 0 2996.70 1330.85 4\r\n -13 5 -1 1549.89 899.951 3\r\n 13 5 1 2172.16 674.523 5\r\n -13 -5 1 3940.49 1290.50 2\r\n 13 -5 -1 2731.61 617.331 4\r\n -13 5 -1 2727.24 1148.29 6\r\n 13 5 1 1082.18 814.237 4\r\n 13 5 2-433.763 656.092 5\r\n -13 5 -2 121.396 966.566 3\r\n -13 -5 2-233.180 1157.76 2\r\n -13 5 -2-1507.26 1165.77 6\r\n 13 -5 -2 300.210 284.835 4\r\n 13 5 2 594.925 832.962 4\r\n 13 -5 -3 1295.43 795.994 5\r\n -13 5 -3 2416.13 998.366 3\r\n -13 -5 3 77.0698 794.939 2\r\n -13 5 -3 1832.60 1080.24 6\r\n 13 5 3 1780.16 1018.98 4\r\n 13 -5 -4-834.613 934.197 5\r\n -13 5 -4 2102.81 1256.77 3\r\n -13 -5 4 203.056 901.095 2\r\n 13 5 4-203.925 789.056 4\r\n 13 -5 -5 176.538 748.086 5\r\n -13 -5 5 3384.96 1344.57 2\r\n 13 5 5 2057.08 1172.89 4\r\n -13 -6 -4 1490.28 1421.19 3\r\n 13 -6 4-83.5886 986.183 4\r\n 13 6 -4 1832.01 1228.64 7\r\n -13 6 4 1927.53 1002.98 6\r\n -13 -6 -4 2151.00 955.568 5\r\n -13 -6 -3 4738.72 1476.82 3\r\n 13 -6 3 4563.25 1414.57 4\r\n 13 6 -3 2463.99 1510.86 7\r\n -13 6 3 2996.93 1302.58 6\r\n -13 -6 -3 2290.49 1088.69 5\r\n -13 -6 -2 545.136 811.759 3\r\n -13 -6 -2 1150.80 767.805 2\r\n 13 -6 2 626.729 1021.08 4\r\n 13 6 -2 833.405 993.264 7\r\n -13 6 2 859.559 957.434 6\r\n -13 -6 -2 1183.45 627.177 5\r\n -13 -6 -1 1072.56 816.610 2\r\n 13 -6 1-226.436 824.883 4\r\n -13 6 1 1288.87 895.951 6\r\n -13 6 1 709.268 578.531 3\r\n -13 6 0 303.426 750.936 3\r\n -13 -6 0 2802.55 904.913 2\r\n 13 -6 0 495.293 632.203 4\r\n -13 6 0 2169.92 885.722 6\r\n -13 6 -1 2263.10 1051.79 3\r\n -13 -6 1 1099.38 697.132 2\r\n 13 -6 -1 239.691 402.371 4\r\n -13 6 -1 523.136 740.254 6\r\n 13 6 1 1119.79 1182.36 4\r\n -13 -6 2 2094.19 1000.29 2\r\n 13 -6 -2 859.747 721.065 5\r\n -13 6 -2 1575.55 757.412 3\r\n -13 6 -2 393.631 1128.64 6\r\n 13 6 2 282.475 934.954 4\r\n 13 -6 -3 2279.33 1380.99 5\r\n -13 6 -3 468.417 1262.25 3\r\n -13 -6 3 3088.52 1476.44 2\r\n -13 6 -3 2678.35 1161.60 6\r\n 13 6 3 2538.27 1280.95 4\r\n 13 -6 -4 2195.08 823.674 5\r\n -13 -6 4 3297.81 1646.03 2\r\n 13 6 4 2314.12 1186.92 4\r\n 13 -7 3 844.376 784.365 4\r\n 13 7 -3-164.331 802.673 7\r\n -13 7 3 96.0119 698.522 6\r\n -13 -7 -3-416.615 514.624 5\r\n -13 -7 -2 2730.55 749.317 2\r\n 13 -7 2 2998.53 1060.16 4\r\n 13 7 -2 1064.40 962.226 7\r\n -13 7 2 717.766 1185.31 6\r\n -13 -7 -2 1033.52 567.041 5\r\n -13 -7 -1 1903.70 852.092 2\r\n 13 -7 1 2270.70 1008.93 4\r\n -13 7 1 2572.02 1258.58 6\r\n 13 7 -1 1410.54 605.972 1\r\n -13 -7 -1 1373.62 686.974 5\r\n -13 -7 0 689.133 1003.94 2\r\n 13 -7 0 1085.72 719.703 4\r\n -13 7 0 2494.58 1120.76 6\r\n -13 7 -1 2909.03 1127.42 3\r\n -13 -7 1 2637.72 946.466 2\r\n -13 7 -1 2878.63 1052.00 6\r\n 13 -7 -2 899.353 904.553 5\r\n -13 -7 2 246.353 1083.12 2\r\n -13 7 -2 733.983 1039.75 3\r\n -13 7 -2 2432.81 1249.36 6\r\n 13 7 2 1420.93 1138.53 4\r\n 13 -7 -3 907.479 608.859 5\r\n 13 7 3-118.804 1267.03 4\r\n 13 -8 2-750.994 1060.39 4\r\n 13 8 -2-142.832 654.582 7\r\n 13 -8 1 1069.59 977.568 4\r\n -13 -8 -1-683.379 616.231 2\r\n -13 8 1 85.6373 922.895 6\r\n -13 -8 0 1045.29 879.711 2\r\n 13 8 0-668.747 985.508 1\r\n -13 8 0 1617.12 910.313 6\r\n 13 8 1 892.504 782.371 1\r\n -13 8 -1-943.132 930.511 6\r\n -13 -8 1 40.6170 1310.45 2\r\n 13 -8 -2 247.290 795.962 5\r\n 13 8 2 346.006 785.983 1\r\n -13 -8 2-367.986 1042.63 2\r\n -14 0 0 11974.8 1449.31 4\r\n 14 0 0 10631.4 1428.31 4\r\n -14 0 0 11393.2 1370.66 2\r\n 14 0 0 9871.22 1364.87 2\r\n 14 0 1 1190.15 623.339 2\r\n 14 0 -1 1247.25 712.616 2\r\n -14 0 -1 58.0128 453.123 4\r\n 14 0 -1 685.734 526.562 7\r\n -14 0 1 1014.06 551.400 4\r\n 14 0 1 1807.87 857.556 4\r\n -14 0 -1 402.436 505.458 2\r\n 14 0 -1 966.395 603.619 4\r\n -14 0 -1 1200.12 638.593 6\r\n -14 0 1 716.606 579.620 2\r\n 14 0 2 6525.73 992.948 2\r\n 14 0 -2 6436.17 1088.42 7\r\n 14 0 2 7346.86 1356.35 4\r\n -14 0 2 6477.27 1094.17 4\r\n -14 0 -2 6576.24 1219.57 6\r\n 14 0 -2 7381.86 1224.17 4\r\n -14 0 2 8240.65 1408.13 2\r\n 14 0 2 5335.50 1060.70 5\r\n 14 0 3 592.442 540.309 2\r\n -14 0 -3 1592.03 1233.43 3\r\n 14 0 -3 1085.80 572.686 5\r\n 14 0 -3 1026.39 786.866 7\r\n 14 0 3 911.716 927.143 4\r\n -14 0 3 1439.62 621.226 4\r\n -14 0 -3 1178.05 695.523 6\r\n 14 0 -3 809.978 565.097 1\r\n -14 0 3 771.359 655.689 2\r\n 14 0 -4 287.160 500.946 5\r\n 14 0 4-278.500 331.671 2\r\n -14 0 -4 811.595 1398.66 3\r\n 14 0 -4-1026.21 479.858 1\r\n 14 0 -4 61.4412 746.433 7\r\n 14 0 4-418.190 963.997 4\r\n -14 0 -4-450.903 515.511 6\r\n -14 0 4 1041.05 579.584 4\r\n -14 0 4 322.300 661.032 2\r\n 14 0 -5 194.459 597.401 5\r\n 14 0 -5 1797.58 1044.80 7\r\n 14 0 5 2253.39 994.660 4\r\n -14 0 5 968.086 613.580 2\r\n 14 0 -6 532.033 633.610 5\r\n -14 0 -6-731.750 2006.82 3\r\n 14 0 -6 868.430 973.001 7\r\n 14 0 6-381.135 1185.31 4\r\n -14 0 6 1176.01 693.040 2\r\n 14 1 -6 2963.81 1236.02 7\r\n 14 -1 6 3191.32 1040.87 4\r\n -14 1 6 862.925 791.792 2\r\n 14 1 -5 2009.61 567.307 5\r\n -14 -1 -5 1607.18 1761.43 3\r\n 14 1 -5 1768.96 1030.44 7\r\n 14 -1 5 652.052 1154.77 4\r\n -14 1 5 1188.22 882.402 2\r\n 14 1 -4 2489.10 713.667 5\r\n -14 -1 -4 2144.48 1304.39 3\r\n 14 1 -4 3462.26 684.140 1\r\n 14 -1 4 1292.26 1086.66 4\r\n -14 1 4 1748.43 693.660 4\r\n -14 -1 -4 1766.30 623.322 6\r\n 14 1 -4 3359.96 1319.78 7\r\n -14 1 4 1364.80 770.896 2\r\n 14 -1 4 3003.87 773.941 2\r\n -14 -1 -3 11012.8 2293.87 3\r\n 14 -1 3 15329.8 1934.51 4\r\n -14 1 3 13253.6 1464.55 4\r\n 14 -1 3 12737.8 1412.60 7\r\n 14 1 -3 14329.3 1886.52 7\r\n -14 1 3 12612.4 1821.12 2\r\n 14 1 -3 14609.9 1405.31 1\r\n 14 -1 3 13095.4 1418.43 2\r\n -14 -1 -3 13642.3 1483.41 6\r\n 14 1 -3 13765.3 1280.96 5\r\n 14 1 -2 5711.30 1126.51 7\r\n 14 -1 2 5090.04 1174.43 4\r\n -14 1 2 4974.01 955.065 4\r\n -14 -1 -2 3789.62 736.436 2\r\n -14 1 2 3095.16 1052.37 2\r\n -14 -1 -2 3859.16 928.155 6\r\n 14 1 -2 3685.48 1126.04 4\r\n 14 -1 2 4638.55 916.381 2\r\n 14 -1 1 261.301 657.508 2\r\n 14 1 -1-350.183 620.944 2\r\n -14 -1 -1 608.397 559.210 4\r\n 14 1 -1 1008.43 647.778 7\r\n -14 1 1 311.074 512.199 4\r\n 14 -1 1 560.064 510.616 4\r\n -14 1 1 588.509 763.102 2\r\n 14 1 -1 1539.83 728.266 4\r\n -14 -1 -1 830.370 525.810 2\r\n -14 1 0 8607.24 1224.28 4\r\n -14 -1 0 10238.5 1404.46 4\r\n 14 -1 0 8770.18 1234.18 4\r\n -14 1 0 8582.72 1256.89 2\r\n 14 1 0 9458.72 1394.85 2\r\n 14 -1 0 7387.30 893.523 7\r\n -14 -1 0 11001.2 1378.51 2\r\n 14 -1 0 9424.06 1376.43 2\r\n 14 1 0 8747.11 1343.49 4\r\n -14 1 0 9692.92 1483.92 6\r\n -14 -1 1 190.159 578.756 2\r\n 14 -1 -1 1240.91 738.881 2\r\n 14 1 1 758.578 480.169 2\r\n -14 1 -1 39.0641 329.124 4\r\n 14 -1 -1 420.786 440.612 7\r\n -14 -1 1 1174.73 546.050 4\r\n 14 1 1 776.743 725.256 4\r\n 14 -1 -1 1137.59 709.196 4\r\n -14 1 -1 53.8308 625.379 6\r\n 14 1 1 716.291 570.945 5\r\n 14 1 2 3787.00 928.429 5\r\n -14 -1 2 4793.63 1152.79 2\r\n -14 1 -2 5083.63 1403.75 3\r\n 14 -1 -2 4236.54 917.450 1\r\n 14 1 2 5795.79 900.910 2\r\n 14 -1 -2 4048.17 963.840 7\r\n 14 1 2 5040.51 1134.73 4\r\n -14 -1 2 4821.73 1034.79 4\r\n -14 1 -2 5026.43 1212.56 6\r\n 14 -1 -2 5529.91 986.091 4\r\n -14 1 -3 12161.7 2221.99 3\r\n 14 1 3 12746.8 1759.43 4\r\n 14 -1 -3 12547.5 1705.81 7\r\n 14 -1 -3 11991.0 1578.72 4\r\n -14 -1 3 11606.2 1774.88 2\r\n 14 1 3 14519.0 1273.97 2\r\n -14 1 -3 12368.4 1642.24 6\r\n 14 -1 -3 13567.6 1538.71 5\r\n -14 -1 4 2152.71 1111.33 2\r\n 14 -1 -4 2120.75 918.358 5\r\n -14 1 -4 3278.25 1546.42 3\r\n 14 -1 -4 2911.65 1111.97 7\r\n 14 1 4 2018.47 1045.96 4\r\n 14 1 4 2973.48 405.158 2\r\n -14 1 -4 1827.70 766.512 6\r\n -14 -1 5 529.287 759.255 2\r\n 14 -1 -5 1401.15 836.034 5\r\n -14 1 -5 449.573 1859.84 3\r\n 14 -1 -5 1149.26 830.448 7\r\n 14 1 5 292.033 1006.51 4\r\n -14 -1 6-214.726 857.536 2\r\n 14 -1 -6 724.914 940.535 5\r\n 14 -1 -6 423.018 1311.74 7\r\n 14 1 6 1781.57 1039.14 4\r\n -14 -2 -6 8.68645 2054.13 3\r\n 14 2 -6 950.636 1034.04 7\r\n -14 2 6 2483.49 905.769 2\r\n -14 2 6 1856.53 1100.36 6\r\n -14 -2 -5 5447.82 1906.49 3\r\n 14 2 -5 5426.91 1701.87 7\r\n 14 -2 5 3357.54 1248.04 4\r\n -14 2 5 3145.84 1058.19 2\r\n -14 2 5 2887.91 1026.16 6\r\n 14 2 -4 1062.48 479.753 5\r\n -14 -2 -4 2961.39 1519.20 3\r\n 14 -2 4-273.201 683.608 7\r\n 14 2 -4 1234.16 947.012 7\r\n 14 -2 4 1416.94 1167.07 4\r\n 14 2 -4 2182.82 468.906 1\r\n -14 2 4 1880.87 457.028 4\r\n -14 -2 -4 594.743 408.754 6\r\n -14 2 4 604.110 796.096 2\r\n 14 -2 4 502.533 554.267 2\r\n 14 2 -3 815.241 320.664 5\r\n -14 -2 -3 1042.13 1308.01 3\r\n 14 -2 3 1273.45 679.227 7\r\n 14 2 -3 1292.08 916.879 7\r\n 14 -2 3 1343.25 908.221 4\r\n -14 2 3 1370.20 656.151 7\r\n -14 2 3 1767.89 597.614 4\r\n -14 2 3 1055.47 823.312 2\r\n 14 -2 3 1043.51 646.636 2\r\n -14 -2 -3 1482.58 617.301 6\r\n -14 2 3 233.224 875.158 6\r\n -14 2 2 7519.63 1079.30 4\r\n 14 -2 2 7740.27 908.687 7\r\n -14 -2 -2 8430.63 1052.20 2\r\n 14 2 -2 9874.48 1442.16 7\r\n 14 -2 2 8815.76 1504.09 4\r\n -14 2 2 7713.39 1402.32 2\r\n 14 -2 2 7612.37 1202.35 2\r\n -14 2 2 8802.00 1563.25 6\r\n 14 2 -2 8944.10 1580.02 4\r\n 14 2 -2 7861.10 708.669 5\r\n -14 -2 -1 2374.39 725.288 2\r\n -14 2 1 1040.44 678.225 2\r\n -14 2 1 1353.57 614.050 4\r\n 14 -2 1 3215.17 917.346 4\r\n -14 2 1 1431.90 750.445 6\r\n 14 2 -1 1519.34 777.837 4\r\n 14 -2 1 2270.40 709.525 2\r\n 14 2 0-325.591 301.948 5\r\n -14 -2 0-882.953 560.248 2\r\n -14 2 0 112.402 494.502 4\r\n 14 -2 0-589.612 387.657 7\r\n 14 2 0-602.673 644.997 2\r\n 14 -2 0-128.230 492.909 4\r\n -14 2 0 15.7672 567.078 6\r\n 14 2 0-243.907 885.554 4\r\n 14 -2 0-1276.41 599.505 2\r\n 14 2 1 1237.36 536.268 5\r\n -14 -2 1 1780.60 804.883 2\r\n -14 2 -1 1656.03 650.082 4\r\n 14 -2 -1 1788.93 548.785 7\r\n 14 2 1 2076.90 739.616 2\r\n 14 -2 -1 1562.88 651.749 4\r\n 14 2 1 1733.90 913.429 4\r\n -14 2 -1 684.071 600.193 6\r\n 14 2 2 8021.63 1347.14 5\r\n -14 2 -2 11121.0 2037.80 3\r\n -14 -2 2 8751.25 1574.05 2\r\n 14 -2 -2 7875.59 1132.88 4\r\n 14 -2 -2 8207.46 1207.78 7\r\n 14 2 2 9220.30 1155.71 2\r\n 14 2 2 8977.20 1483.11 4\r\n -14 2 -2 5915.88 1311.13 6\r\n -14 -2 3 1979.99 1152.55 2\r\n -14 2 -3 1088.15 1023.52 3\r\n 14 -2 -3 1549.19 802.309 5\r\n 14 -2 -3 1838.00 836.873 7\r\n 14 2 3 1771.33 957.514 4\r\n -14 2 -3 122.758 491.204 6\r\n 14 -2 -3 1139.75 608.074 4\r\n -14 -2 4 772.822 810.683 2\r\n 14 -2 -4 924.293 856.828 5\r\n -14 2 -4 929.289 1193.45 3\r\n 14 -2 -4 1094.30 818.976 7\r\n 14 2 4 150.709 957.007 4\r\n -14 2 -4 759.817 719.935 6\r\n -14 -2 5 5337.23 1255.50 2\r\n 14 -2 -5 2518.59 1033.58 5\r\n -14 2 -5 1978.85 1791.53 3\r\n 14 -2 -5 3972.99 1413.13 7\r\n 14 2 5 3903.94 1274.13 4\r\n -14 -2 6 4172.70 1523.65 2\r\n 14 -2 -6 5564.12 1299.19 5\r\n 14 -2 -6 2694.14 1076.25 7\r\n 14 2 6 3745.48 1227.13 4\r\n 14 3 -6-313.477 785.651 7\r\n 14 -3 6 341.354 1211.58 4\r\n -14 3 6-863.131 913.297 6\r\n -14 -3 -5 3093.99 1734.30 3\r\n 14 3 -5 2632.03 1170.15 7\r\n 14 -3 5 1422.94 1289.83 4\r\n -14 3 5 3496.52 1054.69 6\r\n -14 -3 -4 975.346 1310.85 3\r\n 14 3 -4 3083.36 1296.03 7\r\n 14 -3 4 3303.38 1332.18 4\r\n -14 3 4 2784.07 1189.36 6\r\n -14 -3 -3 1044.67 1143.67 3\r\n 14 -3 3 224.287 393.434 7\r\n -14 3 3 1179.24 500.091 4\r\n 14 -3 3 2271.87 899.583 4\r\n 14 3 -3 897.118 839.706 7\r\n -14 3 3 1216.25 633.293 7\r\n -14 -3 -3 1172.51 353.027 2\r\n -14 3 3 1535.82 792.850 6\r\n -14 -3 -2 6809.67 1001.40 2\r\n 14 -3 2 5986.21 637.049 7\r\n -14 3 2 5820.22 983.799 4\r\n 14 -3 2 7142.04 1385.53 4\r\n 14 3 -2 6345.72 1272.90 7\r\n -14 3 2 5290.88 1342.75 6\r\n 14 3 -2 6651.70 1632.85 4\r\n -14 3 1 21615.0 1888.71 4\r\n 14 -3 1 20497.7 2080.11 4\r\n 14 -3 1 23096.5 755.912 7\r\n 14 -3 1 22010.4 684.987 7\r\n 14 3 -1 25213.5 2676.50 4\r\n -14 -3 -1 27737.2 2128.42 2\r\n -14 3 1 21631.2 2398.90 6\r\n 14 3 -1 25022.3 1131.87 5\r\n 14 3 0 97.5800 323.911 5\r\n -14 -3 0 297.796 657.836 2\r\n -14 3 0 960.913 642.088 4\r\n 14 -3 0 243.705 181.383 7\r\n 14 -3 0 391.438 489.205 4\r\n 14 3 0-70.0858 644.242 4\r\n 14 -3 -1 23752.4 1824.84 4\r\n 14 3 1 22340.0 2271.18 4\r\n 14 -3 -1 25406.8 1475.47 7\r\n -14 -3 1 22624.3 2319.01 2\r\n -14 3 -1 26585.6 2600.02 6\r\n 14 3 1 22346.3 1870.53 5\r\n 14 3 2 7356.07 1283.83 5\r\n -14 3 -2 8180.14 1811.03 3\r\n -14 -3 2 6656.12 1508.74 2\r\n 14 -3 -2 6388.42 1052.17 7\r\n -14 3 -2 7341.42 1529.21 6\r\n 14 3 2 6577.44 1361.00 4\r\n 14 -3 -2 6942.32 1017.54 4\r\n 14 -3 -3 1196.73 721.738 5\r\n -14 3 -3 730.596 1029.76 3\r\n -14 -3 3-514.339 935.057 2\r\n 14 -3 -3 334.850 699.329 7\r\n -14 3 -3-145.154 837.545 6\r\n 14 3 3 1081.97 726.290 4\r\n 14 -3 -3 699.235 475.886 4\r\n 14 -3 -4 4038.07 1136.00 5\r\n -14 -3 4 5716.14 1320.69 2\r\n -14 3 -4 4203.59 1668.08 3\r\n 14 -3 -4 2687.65 1077.53 7\r\n -14 3 -4 2668.87 1103.50 6\r\n 14 3 4 3705.14 1278.71 4\r\n 14 -3 -5 3446.81 1321.59 5\r\n -14 -3 5 2773.26 1541.47 2\r\n -14 3 -5 1384.32 1722.87 3\r\n 14 -3 -5 5822.97 1277.95 7\r\n 14 3 5 2022.05 1137.40 4\r\n 14 -3 -6 669.265 573.317 5\r\n 14 -3 -6-1814.30 1273.00 7\r\n 14 3 6 154.833 1051.91 4\r\n -14 -4 -5 532.921 1590.90 3\r\n 14 4 -5 116.859 1129.69 7\r\n 14 -4 5 1862.31 1344.06 4\r\n -14 4 5 345.133 927.729 6\r\n -14 -4 -4 119.279 1362.92 3\r\n 14 -4 4-2280.65 1401.55 4\r\n 14 4 -4 706.892 827.929 7\r\n -14 4 4 1282.42 831.035 6\r\n -14 -4 -3-177.614 1271.90 3\r\n 14 -4 3 636.073 821.218 4\r\n 14 4 -3-522.169 1154.37 7\r\n -14 4 3-179.902 629.292 7\r\n -14 4 3-299.563 773.081 6\r\n -14 -4 -3-579.338 331.439 2\r\n -14 -4 -2 3394.90 816.976 2\r\n 14 -4 2 3514.63 1156.01 4\r\n 14 4 -2 3298.33 1172.38 7\r\n -14 4 2 3747.84 1122.05 6\r\n -14 -4 -1 6045.17 1196.20 2\r\n 14 -4 1 7312.59 1373.91 4\r\n -14 4 1 7140.19 1569.99 6\r\n 14 4 -1 8250.30 1701.95 4\r\n 14 -4 0 11066.0 1477.02 4\r\n -14 -4 0 10595.8 1630.21 2\r\n 14 4 0 14536.6 2076.61 4\r\n -14 4 0 10147.9 1853.85 6\r\n 14 4 0 11377.4 1019.57 5\r\n -14 4 -1 6750.99 1562.26 3\r\n 14 4 1 7789.82 1156.21 5\r\n -14 -4 1 7418.10 1515.82 2\r\n 14 -4 -1 7627.28 1125.76 4\r\n -14 4 -1 7617.18 1679.20 6\r\n 14 4 1 4425.55 1350.55 4\r\n 14 4 2 3076.90 1032.10 5\r\n -14 4 -2 1156.56 1255.88 3\r\n -14 -4 2 3345.35 1336.00 2\r\n -14 4 -2 5749.16 1436.41 6\r\n 14 -4 -2 3814.46 800.086 4\r\n 14 4 2 3818.24 1119.76 4\r\n 14 -4 -3 82.2724 736.834 5\r\n -14 4 -3 1199.64 1021.20 3\r\n -14 -4 3 825.741 1232.92 2\r\n 14 -4 -3-17.5578 452.340 7\r\n -14 4 -3 306.113 631.573 6\r\n 14 4 3-51.6448 896.663 4\r\n 14 -4 -3 1.33275 355.461 4\r\n 14 -4 -4-1982.65 1262.99 5\r\n -14 4 -4-2153.45 1891.98 3\r\n -14 -4 4-2372.96 1226.54 2\r\n 14 -4 -4-2487.33 883.884 7\r\n -14 4 -4 13.3212 507.008 6\r\n 14 4 4-533.009 847.978 4\r\n 14 -4 -5 923.201 1031.59 5\r\n -14 -4 5-1168.46 878.523 2\r\n 14 4 5-152.952 1283.54 4\r\n -14 -5 -5 2800.50 1720.24 3\r\n 14 -5 5 35.6238 1144.20 4\r\n 14 5 -5-164.749 985.226 7\r\n -14 5 5-1166.85 1102.79 6\r\n -14 -5 -4 2374.25 1224.82 3\r\n 14 -5 4 2957.15 1338.97 4\r\n 14 5 -4 4713.65 1511.45 7\r\n -14 5 4 4920.06 1494.77 6\r\n -14 -5 -4 3725.29 1359.87 5\r\n -14 -5 -3 4646.74 1749.06 3\r\n 14 -5 3 6591.40 1617.11 4\r\n 14 5 -3 7528.80 1656.87 7\r\n -14 5 3 6504.13 1577.35 6\r\n -14 -5 -2 1753.10 748.687 2\r\n 14 -5 2 1707.35 1030.41 4\r\n 14 5 -2 2443.98 1159.20 7\r\n -14 5 2 3378.31 1234.13 6\r\n -14 -5 -1 3286.13 955.045 2\r\n 14 -5 1 2174.80 889.091 4\r\n -14 5 1 1836.27 973.428 6\r\n 14 5 0 1147.04 387.383 5\r\n -14 -5 0 1505.88 872.272 2\r\n 14 -5 0 1703.70 758.315 4\r\n -14 5 0 2524.29 1232.57 6\r\n 14 5 0-488.146 1055.38 4\r\n -14 5 0 660.557 802.910 3\r\n -14 5 -1 2374.27 934.811 3\r\n 14 5 1 2327.40 684.183 5\r\n -14 -5 1 1554.89 1022.72 2\r\n 14 -5 -1 2177.10 709.185 4\r\n -14 5 -1 2572.64 1033.29 6\r\n 14 5 1 2579.24 1186.76 4\r\n -14 5 -2 2402.07 1160.04 3\r\n -14 -5 2 215.978 1033.15 2\r\n -14 5 -2 1062.18 869.710 6\r\n 14 -5 -2 1403.08 546.031 4\r\n 14 5 2 1935.56 1025.38 4\r\n 14 -5 -3 6474.59 1494.10 5\r\n -14 5 -3 5311.46 1751.70 3\r\n -14 -5 3 6119.86 1847.27 2\r\n -14 5 -3 4145.55 1458.17 6\r\n 14 5 3 5318.46 1522.24 4\r\n 14 -5 -4 4193.85 1179.95 5\r\n -14 5 -4 541.719 782.633 3\r\n -14 -5 4 4172.32 1345.53 2\r\n 14 5 4 5534.67 1459.75 4\r\n 14 -5 -5 433.779 804.872 5\r\n -14 -5 5 524.167 844.405 2\r\n 14 5 5 1780.01 876.934 4\r\n -14 -6 -4 1137.30 1494.28 3\r\n 14 -6 4 4142.24 1617.73 4\r\n 14 6 -4 2522.60 1309.52 7\r\n -14 6 4 1070.84 1010.27 6\r\n -14 -6 -4 3762.18 1070.52 5\r\n -14 -6 -3 1121.44 1225.63 3\r\n 14 -6 3-2212.97 1335.21 4\r\n 14 6 -3-169.775 939.498 7\r\n -14 6 3-1990.82 1076.40 6\r\n -14 -6 -3-572.041 706.231 5\r\n -14 -6 -2 4111.63 1429.48 3\r\n -14 -6 -2 3722.44 1064.08 2\r\n 14 -6 2 4426.74 1236.18 4\r\n 14 6 -2 3518.29 1382.46 7\r\n -14 6 2 4476.23 1362.32 6\r\n -14 -6 -1 2398.67 952.419 2\r\n 14 -6 1 1624.64 929.551 4\r\n -14 6 1 2401.79 1134.46 6\r\n -14 6 0 3393.26 1022.77 3\r\n -14 -6 0 1440.34 1011.85 2\r\n 14 -6 0 1809.86 729.433 4\r\n -14 6 0 1514.40 1241.04 6\r\n -14 6 -1 1278.14 904.792 3\r\n -14 -6 1 1210.39 1072.50 2\r\n 14 -6 -1 1847.73 557.696 4\r\n -14 6 -1 2113.13 989.419 6\r\n 14 6 1 2195.36 1331.07 4\r\n -14 6 -2 6161.16 1659.90 3\r\n -14 -6 2 3656.16 1378.34 2\r\n -14 6 -2 3724.55 1465.08 6\r\n 14 6 2 3875.58 1479.48 4\r\n 14 -6 -3 130.883 1034.61 5\r\n -14 6 -3-1598.11 1272.19 3\r\n -14 -6 3-587.284 1388.23 2\r\n -14 6 -3-1489.93 941.697 6\r\n 14 6 3-145.092 894.453 4\r\n 14 -6 -4 6288.93 1471.25 5\r\n -14 -6 4 4215.94 1739.08 2\r\n 14 6 4 4648.52 1391.28 4\r\n 14 -7 3 4670.86 1720.96 4\r\n 14 7 -3 3175.50 1392.91 7\r\n -14 7 3 2731.29 1097.59 6\r\n -14 -7 -3 2288.02 1054.21 5\r\n -14 -7 -2 1646.92 995.759 2\r\n 14 -7 2 2554.58 1216.36 4\r\n 14 7 -2 2618.74 1222.64 7\r\n -14 7 2 4655.64 1387.74 6\r\n -14 -7 -2 29.7831 653.233 5\r\n -14 -7 -1 1026.06 1061.84 2\r\n 14 -7 1 2002.17 903.921 4\r\n -14 7 1-598.746 1390.07 6\r\n -14 -7 0-1358.87 1020.62 2\r\n 14 -7 0-140.704 733.669 4\r\n -14 7 0 33.8520 306.480 6\r\n -14 7 -1 1117.60 1241.59 3\r\n -14 -7 1 2137.63 883.235 2\r\n 14 -7 -2 1182.43 1129.13 5\r\n -14 7 -2 117.345 600.582 3\r\n -14 -7 2 3301.03 1129.62 2\r\n -14 7 -2-1542.02 1209.96 6\r\n 14 7 2 150.830 1439.89 4\r\n 14 -7 -3 3381.64 1651.14 5\r\n -14 -7 3 3494.82 1826.15 2\r\n 14 7 3 1569.28 1575.16 4\r\n 14 -8 1 280.414 952.143 4\r\n -14 8 1-1345.63 1161.77 6\r\n -14 -8 0 324.293 557.629 2\r\n 14 8 0 665.256 684.281 1\r\n -14 8 0-553.908 920.333 6\r\n -14 -8 1 1444.42 1246.16 2\r\n -14 8 -1 2158.44 953.081 6\r\n 14 8 1 1016.35 815.817 1\r\n 15 0 0 683.740 442.284 2\r\n -15 0 0-1372.72 731.489 4\r\n 15 0 0 75.1635 685.693 4\r\n -15 0 0 754.712 592.148 2\r\n -15 0 1 19145.8 1878.32 4\r\n 15 0 1 21083.2 2046.59 4\r\n 15 0 -1 21877.3 2039.54 4\r\n -15 0 -1 22666.7 1850.66 2\r\n 15 0 -1 19311.9 1720.93 7\r\n -15 0 1 19337.7 2051.20 2\r\n 15 0 1 21120.0 1929.34 2\r\n -15 0 -1 19548.6 2079.54 6\r\n 15 0 2 6031.86 1003.13 2\r\n 15 0 -2 6137.57 1131.75 7\r\n 15 0 2 7044.06 1338.06 4\r\n -15 0 2 5443.24 1042.34 4\r\n -15 0 -2 6245.33 1217.32 6\r\n 15 0 -2 4895.55 1089.51 4\r\n -15 0 2 4245.54 1102.12 2\r\n -15 0 -3 24341.1 3157.34 3\r\n 15 0 3 23008.6 2504.76 4\r\n -15 0 3 21600.2 2005.20 4\r\n 15 0 -3 23449.3 1981.40 1\r\n 15 0 -3 25506.9 2415.23 7\r\n 15 0 -3 18401.5 2253.65 4\r\n -15 0 3 23670.6 2517.02 2\r\n 15 0 3 23865.7 1831.16 2\r\n -15 0 -3 25176.8 2164.35 6\r\n 15 0 -3 24973.5 1907.11 5\r\n 15 0 -4-15.1589 615.321 5\r\n -15 0 -4-2165.80 1378.29 3\r\n 15 0 -4 131.030 743.189 7\r\n 15 0 -4-205.220 638.924 1\r\n 15 0 4 1714.88 1056.57 4\r\n -15 0 -4-218.007 699.231 6\r\n -15 0 4-332.161 703.608 2\r\n 15 0 -5 938.105 651.139 5\r\n -15 0 -5 620.434 762.553 3\r\n 15 0 -5-19.4202 851.880 7\r\n 15 0 5 939.483 972.756 4\r\n -15 0 5 829.043 695.260 2\r\n 15 0 -6 2719.69 963.603 5\r\n -15 0 -6 804.059 1749.45 3\r\n 15 0 -6 1870.31 1159.49 7\r\n 15 0 6 2544.14 1431.42 4\r\n -15 0 6 4354.12 1184.86 2\r\n -15 -1 -6-353.327 1839.82 3\r\n 15 1 -6 260.425 990.909 7\r\n 15 -1 6 2844.50 1438.14 4\r\n -15 1 6 1414.36 1097.21 2\r\n 15 1 -5 1403.17 649.215 5\r\n -15 -1 -5 647.770 1671.40 3\r\n 15 1 -5 531.392 764.801 7\r\n 15 -1 5 366.322 1079.44 4\r\n -15 1 5-1414.63 1080.29 2\r\n 15 1 -4 3243.40 846.698 5\r\n -15 -1 -4 3726.08 1801.24 3\r\n 15 1 -4 4156.72 1248.16 7\r\n 15 -1 4 3461.56 1344.05 4\r\n -15 1 4 3073.04 761.910 4\r\n -15 -1 -4 3628.80 844.702 6\r\n 15 1 -4 2474.50 801.225 1\r\n -15 1 4 2462.37 1051.98 2\r\n 15 -1 4 3515.37 856.428 2\r\n -15 -1 -3-15.4748 1309.32 3\r\n 15 1 -3 319.128 348.071 5\r\n 15 1 -3 691.971 306.823 1\r\n 15 -1 3-103.937 498.962 7\r\n 15 1 -3 478.285 917.529 7\r\n 15 -1 3-394.087 997.260 4\r\n -15 1 3 129.728 337.418 4\r\n -15 -1 -3 9.44861 541.686 6\r\n -15 1 3-895.031 817.846 2\r\n 15 -1 3-239.751 501.924 2\r\n -15 -1 -2 8583.14 1089.77 2\r\n 15 -1 2 9799.49 1332.36 2\r\n 15 1 -2 8798.86 1378.09 7\r\n -15 1 2 7509.07 1178.38 4\r\n 15 -1 2 9063.15 1522.34 4\r\n -15 -1 -2 10162.4 1447.83 6\r\n -15 1 2 7900.63 1382.85 2\r\n 15 1 -2 9138.14 1562.94 4\r\n -15 1 1 22734.0 1958.91 4\r\n 15 -1 1 23523.2 2124.19 4\r\n 15 1 -1 17851.9 1968.05 4\r\n -15 1 1 19601.0 1965.18 2\r\n -15 -1 -1 22087.4 1849.03 2\r\n 15 1 -1 18675.9 1862.66 7\r\n 15 -1 1 22572.5 2010.67 2\r\n -15 1 0 21090.2 1980.51 4\r\n 15 -1 0 15725.7 1736.30 4\r\n 15 1 0 18595.5 1954.10 4\r\n -15 1 0 18371.0 1811.55 2\r\n 15 -1 0 15182.9 1314.40 7\r\n -15 -1 0 18877.1 1866.01 2\r\n 15 -1 0 18992.7 1926.41 2\r\n 15 1 0 21224.4 2050.94 2\r\n -15 1 0 16610.2 1996.34 6\r\n 15 1 1 21720.6 2151.71 4\r\n 15 -1 -1 18820.3 1814.36 4\r\n 15 -1 -1 18645.7 1527.73 7\r\n -15 -1 1 20242.0 2080.61 2\r\n 15 1 1 19730.4 1902.67 2\r\n -15 1 -1 17626.5 2039.71 6\r\n 15 1 1 16496.8 1616.95 5\r\n -15 -1 2 7728.90 1483.15 2\r\n 15 1 2 10398.1 1572.25 4\r\n 15 -1 -2 9852.72 1341.77 4\r\n 15 -1 -2 8090.25 1230.90 7\r\n 15 1 2 10032.6 1256.67 2\r\n -15 1 -2 9396.77 1484.07 6\r\n -15 1 -2 8555.94 1791.85 3\r\n -15 -1 3-1131.90 918.069 2\r\n -15 1 -3-335.166 559.400 3\r\n 15 -1 -3-205.385 611.117 5\r\n 15 1 3-249.742 504.151 2\r\n 15 -1 -3 347.321 877.141 7\r\n 15 1 3-510.134 849.800 4\r\n -15 1 -3-205.920 622.203 6\r\n 15 -1 -3 745.164 626.465 4\r\n -15 -1 4 3466.29 1228.06 2\r\n 15 -1 -4 3949.71 1133.18 5\r\n -15 1 -4 5398.03 1847.49 3\r\n 15 -1 -4 3702.08 1360.63 7\r\n 15 1 4 3541.94 1317.67 4\r\n -15 1 -4 3815.83 997.414 6\r\n -15 -1 5 51.6728 307.186 2\r\n 15 -1 -5 1302.70 822.099 5\r\n -15 1 -5 2290.74 1508.07 3\r\n 15 -1 -5 425.162 836.289 7\r\n -15 1 -5 79.1608 591.589 6\r\n 15 1 5 772.814 893.072 4\r\n -15 -1 6-735.767 1477.92 2\r\n 15 -1 -6-584.746 838.063 5\r\n 15 -1 -6 1010.69 1099.16 7\r\n 15 1 6-19.1902 1239.19 4\r\n -15 -2 -6-1661.94 1902.30 3\r\n 15 2 -6-2410.10 1599.73 7\r\n 15 -2 6 596.495 1213.90 4\r\n -15 2 6-776.047 618.493 2\r\n -15 2 6-960.396 1066.37 6\r\n -15 -2 -5 403.049 2052.84 3\r\n 15 2 -5 1381.61 1189.08 7\r\n 15 -2 5 1578.38 1297.60 4\r\n -15 2 5 2421.64 1034.63 2\r\n -15 2 5-52.9005 594.740 6\r\n -15 -2 -4 13856.7 2734.07 3\r\n 15 -2 4 16096.8 2352.12 4\r\n -15 2 4 10813.4 1310.64 4\r\n -15 2 4 17904.8 2189.20 2\r\n 15 -2 4 13089.3 1667.44 2\r\n 15 2 -4 10852.2 2107.43 7\r\n -15 -2 -4 13810.1 1357.89 6\r\n -15 2 4 13443.7 2115.06 6\r\n 15 2 -4 13109.7 1194.57 5\r\n -15 -2 -3 10000.4 2242.96 3\r\n 15 -2 3 11886.3 1825.62 4\r\n -15 2 3 8822.16 1210.34 4\r\n 15 -2 3 8452.57 1171.38 7\r\n 15 2 -3 9795.83 1622.08 7\r\n -15 2 3 9591.37 1596.40 2\r\n -15 -2 -3 8467.53 1274.01 6\r\n 15 -2 3 8587.11 1311.50 2\r\n -15 2 3 8029.36 1584.28 6\r\n 15 2 -3 9038.27 846.205 5\r\n -15 2 2 16448.2 1657.16 4\r\n 15 -2 2 18020.3 2119.07 4\r\n 15 -2 2 15976.9 1282.00 7\r\n -15 2 2 16810.2 2025.73 2\r\n -15 -2 -2 15913.5 1444.31 2\r\n 15 2 -2 14531.6 2079.39 4\r\n 15 2 -2 14496.8 1804.40 7\r\n 15 -2 2 17356.1 1876.75 2\r\n -15 2 2 14247.8 2045.78 6\r\n 15 2 -2 15184.2 973.394 5\r\n -15 2 1-136.517 913.694 2\r\n -15 2 1-86.1550 565.027 4\r\n 15 -2 1 726.672 681.968 4\r\n -15 2 1 241.178 766.619 6\r\n 15 2 -1 205.770 892.772 4\r\n 15 -2 1 555.821 649.166 2\r\n -15 -2 -1 335.882 527.976 2\r\n -15 -2 0 9374.49 1422.13 2\r\n 15 -2 0 11382.8 1471.73 4\r\n 15 2 0 11796.7 1722.76 4\r\n 15 -2 0 11509.7 976.700 7\r\n -15 2 0 9890.13 1437.47 4\r\n 15 2 0 11741.1 1624.95 2\r\n -15 2 0 14199.5 1935.78 6\r\n 15 2 0 10791.0 1207.70 5\r\n 15 2 1 302.029 580.756 5\r\n -15 -2 1 686.827 689.676 2\r\n 15 -2 -1 161.170 389.129 7\r\n 15 2 1 276.893 587.766 2\r\n 15 -2 -1 8.95117 582.392 4\r\n 15 2 1-116.773 889.787 4\r\n -15 2 -1-464.528 881.288 6\r\n -15 2 -2 18594.5 2577.81 3\r\n 15 2 2 16220.9 2030.24 4\r\n 15 -2 -2 16294.4 1642.57 4\r\n 15 -2 -2 15360.8 1639.30 7\r\n -15 -2 2 15822.4 2108.63 2\r\n -15 2 -2 15999.6 2080.86 6\r\n 15 2 2 16895.2 1635.06 2\r\n 15 2 2 16539.2 1888.49 5\r\n -15 -2 3 9112.29 1828.13 2\r\n -15 2 -3 7538.23 1837.88 3\r\n 15 -2 -3 9416.93 1422.31 5\r\n 15 -2 -3 8152.54 1458.95 7\r\n 15 2 3 9588.72 1588.81 4\r\n -15 2 -3 10244.1 1625.23 6\r\n 15 -2 -3 9557.18 1319.90 4\r\n -15 -2 4 12624.6 2145.84 2\r\n -15 2 -4 15116.6 2963.01 3\r\n 15 -2 -4 13154.7 1986.48 7\r\n -15 2 -4 13578.4 1921.25 6\r\n 15 2 4 14874.2 2183.30 4\r\n 15 -2 -4 15298.9 1943.26 5\r\n -15 -2 5 3130.82 1072.28 2\r\n 15 -2 -5 501.756 740.110 5\r\n -15 2 -5 2853.69 1845.93 3\r\n 15 -2 -5 4044.21 1333.06 7\r\n 15 2 5 3552.23 1325.28 4\r\n -15 -2 6 778.453 716.435 2\r\n 15 -2 -6 2345.15 976.452 5\r\n 15 -2 -6-404.894 934.396 7\r\n 15 2 6 546.901 1278.58 4\r\n -15 -3 -5 993.132 1549.35 3\r\n 15 3 -5 990.023 1112.28 7\r\n 15 -3 5 3457.75 1696.09 4\r\n -15 3 5 1909.95 868.376 6\r\n -15 -3 -4 31.1271 1469.58 3\r\n 15 3 -4 27.0757 914.398 7\r\n 15 -3 4-945.590 870.431 4\r\n -15 3 4 1507.39 777.568 6\r\n -15 -3 -3 1956.87 1282.51 3\r\n 15 -3 3 491.169 461.319 7\r\n -15 3 3 5.45165 498.946 4\r\n 15 3 -3 1871.06 910.440 7\r\n 15 -3 3 786.373 887.758 4\r\n -15 3 3 902.267 616.133 7\r\n -15 -3 -3 829.200 302.574 2\r\n -15 3 3 608.006 707.181 6\r\n -15 -3 -3 1139.02 518.950 6\r\n 15 -3 2 4464.94 589.377 7\r\n -15 3 2 4372.14 947.401 4\r\n 15 3 -2 4810.63 1277.10 7\r\n 15 -3 2 4624.13 1202.17 4\r\n -15 3 2 4584.75 1318.72 6\r\n -15 -3 -2 4821.17 898.917 2\r\n 15 3 -2 3924.34 1335.09 4\r\n -15 3 1 18747.4 1855.64 4\r\n 15 -3 1 19528.3 2072.17 4\r\n 15 -3 1 18984.3 797.830 7\r\n 15 3 -1 16688.0 2319.69 4\r\n 15 -3 1 19433.7 748.425 7\r\n -15 -3 -1 20296.5 1870.05 2\r\n -15 3 1 19139.1 2423.10 6\r\n 15 3 -1 19795.0 1115.13 5\r\n -15 -3 0 8018.54 1352.62 2\r\n 15 -3 0 8926.90 660.241 7\r\n -15 3 0 9108.50 1440.76 4\r\n 15 -3 0 7639.23 1249.81 4\r\n -15 3 0 8641.86 1613.43 6\r\n 15 3 0 9865.62 1597.35 4\r\n 15 3 0 9207.00 1088.62 5\r\n 15 -3 -1 19205.0 1757.92 4\r\n 15 3 1 17767.4 2108.13 4\r\n 15 -3 -1 18377.4 1320.27 7\r\n -15 -3 1 20173.8 2276.32 2\r\n -15 3 -1 19915.4 2378.06 6\r\n 15 3 1 18506.1 1764.34 5\r\n 15 3 2 4727.59 1193.04 5\r\n -15 3 -2 4238.21 1258.20 3\r\n -15 -3 2 3279.56 1220.96 2\r\n 15 -3 -2 4201.30 841.917 7\r\n -15 3 -2 3573.46 1193.66 6\r\n 15 3 2 2717.26 1086.50 4\r\n 15 -3 -2 4488.25 840.664 4\r\n -15 3 -3 1469.72 1390.53 3\r\n 15 -3 -3 1026.65 650.060 5\r\n -15 -3 3 289.678 989.184 2\r\n 15 -3 -3-67.7814 776.807 7\r\n -15 3 -3 1983.89 992.296 6\r\n 15 3 3 634.846 702.836 4\r\n 15 -3 -3 893.374 521.484 4\r\n 15 -3 -4-223.709 631.592 5\r\n -15 -3 4 1023.94 882.320 2\r\n -15 3 -4 2284.93 1325.39 3\r\n 15 -3 -4 55.0873 727.020 7\r\n -15 3 -4-529.794 737.068 6\r\n 15 3 4 1035.56 874.893 4\r\n 15 -3 -5 267.984 742.627 5\r\n -15 -3 5 2798.93 1256.53 2\r\n 15 -3 -5 3002.38 1055.26 7\r\n 15 3 5 2607.59 1164.17 4\r\n -15 -4 -5 2456.91 1982.22 3\r\n 15 4 -5 3362.58 1560.66 7\r\n 15 -4 5 763.410 1398.89 4\r\n -15 4 5 3096.78 1053.81 6\r\n -15 -4 -4 2685.53 1559.25 3\r\n 15 4 -4 1370.76 1045.72 7\r\n 15 -4 4 3084.21 1364.05 4\r\n -15 4 4 2450.95 1079.35 6\r\n -15 -4 -3 2052.06 1203.66 3\r\n 15 -4 3 1750.92 974.837 4\r\n 15 4 -3 2654.63 1047.23 7\r\n -15 4 3 2680.10 1051.54 6\r\n -15 -4 -3 1856.75 525.047 2\r\n -15 4 2 15727.6 1609.08 4\r\n 15 -4 2 16253.4 2138.05 4\r\n -15 -4 -2 15451.3 1625.81 2\r\n 15 4 -2 14930.1 2162.95 7\r\n -15 4 2 14702.3 2255.24 6\r\n -15 4 1 12207.5 1600.78 4\r\n -15 -4 -1 14615.7 1751.73 2\r\n 15 -4 1 11256.1 1676.77 4\r\n -15 4 1 12230.6 1966.67 6\r\n 15 4 -1 11461.3 2139.17 4\r\n 15 -4 0 21028.7 2023.46 4\r\n 15 4 0 19215.1 2478.50 4\r\n -15 -4 0 21361.8 2315.23 2\r\n -15 4 0 21860.5 2632.06 6\r\n 15 4 0 18884.5 1381.14 5\r\n -15 4 -1 10747.0 1951.20 3\r\n 15 -4 -1 12210.2 1469.96 4\r\n -15 -4 1 15249.3 2072.09 2\r\n -15 4 -1 11871.2 2069.50 6\r\n 15 4 1 13342.1 2042.51 4\r\n 15 4 1 12520.0 1394.31 5\r\n -15 4 -2 18331.1 2650.30 3\r\n 15 -4 -2 16162.0 1421.24 7\r\n 15 -4 -2 16410.9 1478.29 4\r\n 15 4 2 15850.9 2135.07 4\r\n -15 -4 2 17554.3 2352.30 2\r\n -15 4 -2 14902.9 2261.94 6\r\n 15 -4 -3 2379.37 998.254 5\r\n -15 4 -3 2094.13 1321.76 3\r\n -15 -4 3 2019.64 1023.75 2\r\n 15 -4 -3 2056.95 672.978 7\r\n -15 4 -3 786.188 608.425 6\r\n 15 4 3 1212.13 932.144 4\r\n 15 -4 -3 2381.06 584.310 4\r\n 15 -4 -4 2916.29 1337.92 5\r\n -15 -4 4 3057.64 1500.23 2\r\n -15 4 -4 3373.35 1656.89 3\r\n 15 -4 -4 2056.03 946.834 7\r\n -15 4 -4 2465.30 1272.83 6\r\n 15 4 4 3536.79 1335.75 4\r\n 15 -4 -5 1620.86 1305.64 5\r\n -15 -4 5 1679.24 1193.85 2\r\n -15 4 -5 1486.38 1390.99 3\r\n 15 4 5 2746.81 1456.40 4\r\n -15 -5 -4 259.825 1723.26 3\r\n 15 -5 4 3434.82 1210.87 4\r\n 15 5 -4 3047.93 1181.60 7\r\n -15 5 4 733.963 1097.90 6\r\n -15 -5 -3 3681.01 1768.07 3\r\n 15 -5 3 3589.18 1423.66 4\r\n 15 5 -3 2288.41 1131.36 7\r\n -15 5 3 1389.83 1160.73 6\r\n -15 -5 -2 5595.37 1092.89 2\r\n 15 -5 2 7088.41 1659.06 4\r\n 15 5 -2 6817.30 1603.22 7\r\n -15 5 2 5183.86 1418.14 6\r\n -15 -5 -1 3247.46 1026.88 2\r\n 15 -5 1 4332.99 1164.25 4\r\n -15 5 1 2438.56 1174.85 6\r\n -15 -5 0 4201.96 1224.12 2\r\n 15 -5 0 5030.02 1136.70 4\r\n -15 5 0 4568.42 1487.99 6\r\n 15 5 0 5278.50 1464.86 4\r\n -15 5 0 4513.97 1411.47 3\r\n -15 5 -1 1628.38 1064.12 3\r\n 15 5 1 3114.12 818.702 5\r\n -15 -5 1 2893.54 1244.20 2\r\n 15 -5 -1 3011.71 745.673 4\r\n -15 5 -1 2819.27 1217.13 6\r\n 15 5 1 2883.47 1299.64 4\r\n -15 5 -2 7009.50 1823.08 3\r\n 15 -5 -2 8264.89 1048.88 4\r\n -15 -5 2 7970.82 1866.84 2\r\n -15 5 -2 11227.9 1928.92 6\r\n 15 5 2 4810.49 1478.02 4\r\n 15 -5 -3 1202.31 1000.23 5\r\n -15 5 -3 3545.32 1578.98 3\r\n -15 -5 3 2383.01 1048.54 2\r\n -15 5 -3 2623.69 1065.14 6\r\n 15 5 3 2493.85 1174.13 4\r\n 15 -5 -4 692.461 882.455 5\r\n -15 5 -4 199.841 885.932 3\r\n -15 -5 4 1430.28 1151.07 2\r\n -15 5 -4 202.150 1089.15 6\r\n 15 5 4 463.047 991.457 4\r\n 15 -6 4 241.936 1122.07 4\r\n 15 6 -4 951.282 966.192 7\r\n -15 6 4 1921.45 1188.40 6\r\n -15 -6 -3 4239.08 1554.58 3\r\n 15 -6 3 4727.86 1442.94 4\r\n 15 6 -3 2194.67 1323.40 7\r\n -15 6 3 2888.74 1337.73 6\r\n -15 -6 -2 1099.35 846.303 2\r\n 15 -6 2 781.243 1018.46 4\r\n 15 6 -2 1162.63 1000.27 7\r\n -15 6 2 1944.17 1037.77 6\r\n -15 -6 -2 2344.67 1250.81 3\r\n -15 -6 -1-928.989 804.859 2\r\n 15 -6 1 787.580 930.233 4\r\n -15 6 1-1641.24 1130.80 6\r\n -15 6 0 115.244 811.009 3\r\n -15 -6 0 570.758 762.059 2\r\n 15 -6 0-165.577 638.438 4\r\n -15 6 0-835.377 1091.24 6\r\n -15 6 -1 670.227 1050.33 3\r\n -15 -6 1 1083.88 1110.62 2\r\n 15 -6 -1 763.827 520.920 4\r\n -15 6 -1-2097.20 1012.02 6\r\n 15 6 1 4.92237 1225.62 4\r\n -15 6 -2-2301.22 1482.34 3\r\n -15 -6 2 997.856 1248.37 2\r\n -15 6 -2 131.778 1306.16 6\r\n 15 6 2 840.839 1008.08 4\r\n 15 -6 -3 2790.78 1193.15 5\r\n -15 6 -3 6664.32 2137.74 3\r\n -15 -6 3 2051.64 1323.93 2\r\n -15 6 -3 5226.73 1614.18 6\r\n 15 6 3 4799.25 1532.61 4\r\n 15 -6 -4 2348.56 1292.74 5\r\n -15 -6 4 2478.25 1073.53 2\r\n 15 6 4 2370.05 1368.69 4\r\n 15 -7 3 1137.39 790.682 4\r\n 15 7 -3-1888.15 1513.86 7\r\n -15 7 3-1802.45 1190.55 6\r\n 15 -7 2 452.878 972.039 4\r\n 15 7 -2-1204.55 1215.89 7\r\n -15 7 2 450.972 1073.95 6\r\n -15 -7 -1 2086.20 1010.77 2\r\n 15 -7 1 980.780 841.976 4\r\n -15 -7 0 1209.20 1304.62 2\r\n 15 -7 0 2085.89 967.916 4\r\n -15 7 0 3310.31 1455.59 6\r\n -15 7 -1 605.843 499.875 3\r\n -15 -7 1 1539.91 1064.61 2\r\n -15 7 -1 2753.89 1483.53 6\r\n 15 -7 -2 536.189 862.820 5\r\n -15 7 -2-1958.62 1555.75 3\r\n -15 -7 2 2350.62 1379.54 2\r\n -15 7 -2 1232.93 1182.69 6\r\n 15 7 2 2069.31 860.554 4\r\n 15 -7 -3-268.160 1349.63 5\r\n -15 -7 3 1652.85 991.356 2\r\n 15 7 3 2318.80 1142.85 4\r\n -15 -8 0 574.409 1180.84 2\r\n -15 8 0-618.253 594.286 6\r\n 15 8 0 1384.71 616.508 1\r\n 16 0 0 62973.1 3492.48 4\r\n -16 0 0 63198.9 3357.00 2\r\n 16 0 0 61094.3 3573.63 2\r\n 16 0 1 21026.1 2115.99 4\r\n -16 0 -1 21776.6 1942.33 2\r\n 16 0 -1 22355.4 2117.04 4\r\n 16 0 -1 21622.0 1859.46 7\r\n -16 0 1 18914.4 2064.89 2\r\n 16 0 1 20372.3 2013.36 2\r\n -16 0 -1 19877.0 2220.18 6\r\n 16 0 2 1723.25 722.443 2\r\n 16 0 -2 1740.88 790.624 7\r\n 16 0 2 1182.16 792.593 4\r\n -16 0 -2 2367.66 883.100 6\r\n 16 0 -2 1640.06 763.609 4\r\n -16 0 2 1879.21 970.444 2\r\n -16 0 -3 2547.20 1274.71 3\r\n 16 0 -3 1360.35 630.601 5\r\n 16 0 3 1839.82 652.471 2\r\n 16 0 -3 837.391 725.211 7\r\n 16 0 3 1481.88 1037.90 4\r\n -16 0 -3 2711.51 882.429 6\r\n -16 0 3 2211.71 1018.11 2\r\n 16 0 -3 2606.74 1084.82 4\r\n 16 0 -4 5645.96 1106.29 5\r\n -16 0 -4 3844.83 1826.88 3\r\n 16 0 -4 5242.96 1386.77 7\r\n 16 0 4 3550.73 1405.03 4\r\n -16 0 -4 4410.42 1020.47 6\r\n -16 0 4 3988.64 1278.13 2\r\n 16 0 -5 255.587 461.302 5\r\n -16 0 -5-2399.49 1514.19 3\r\n 16 0 -5-1333.01 1245.95 7\r\n 16 0 5 193.665 707.818 4\r\n -16 0 5 1833.42 749.975 2\r\n -16 0 -6-2552.33 2101.15 3\r\n 16 0 -6 1066.62 840.202 7\r\n 16 0 6-572.058 1383.37 4\r\n -16 0 6 1274.71 900.018 2\r\n -16 -1 -6-2862.45 2155.84 3\r\n 16 1 -6 3177.13 1761.82 7\r\n 16 -1 6 1083.23 1153.12 4\r\n -16 1 6-515.988 558.590 2\r\n -16 -1 -5 286.211 1680.51 3\r\n 16 1 -5-1377.13 1036.93 7\r\n 16 -1 5 2818.34 1296.54 4\r\n -16 1 5 796.001 833.999 2\r\n -16 -1 -4 10546.9 2523.69 3\r\n 16 -1 4 16136.3 2245.19 4\r\n -16 1 4 12886.0 1683.93 4\r\n 16 1 -4 15453.0 2229.36 7\r\n -16 1 4 15088.6 2227.12 2\r\n -16 -1 -4 14645.3 1623.94 6\r\n 16 1 -4 13017.5 1533.59 5\r\n -16 -1 -3 22625.4 3245.02 3\r\n 16 -1 3 23190.5 2583.18 4\r\n -16 1 3 21276.8 1980.44 4\r\n 16 -1 3 18361.7 1716.15 7\r\n 16 1 -3 20934.7 2369.16 7\r\n -16 1 3 22921.3 2498.81 2\r\n 16 1 -3 22908.0 1912.23 1\r\n 16 -1 3 22476.1 2000.16 2\r\n -16 -1 -3 21313.0 2036.67 6\r\n 16 1 -3 22427.1 1645.18 5\r\n -16 1 2 9057.24 1314.20 4\r\n -16 -1 -2 9004.15 1186.95 2\r\n 16 -1 2 12018.3 1618.76 2\r\n 16 1 -2 10403.8 1511.06 7\r\n 16 -1 2 9023.25 1513.12 4\r\n -16 1 2 8953.58 1560.16 2\r\n -16 -1 -2 8427.18 1366.30 6\r\n 16 1 -2 9342.52 1638.14 4\r\n -16 1 1 13835.4 1618.72 4\r\n 16 -1 1 12676.6 1717.09 4\r\n -16 1 1 10630.2 1581.37 2\r\n -16 -1 -1 11498.1 1461.74 2\r\n 16 1 -1 11684.5 1589.43 7\r\n 16 -1 1 11592.2 1587.97 2\r\n 16 1 -1 10027.7 1620.45 4\r\n 16 1 0 606.293 659.143 2\r\n 16 -1 0 6.50120 561.440 7\r\n -16 1 0 836.796 751.571 2\r\n 16 -1 0 1279.10 774.749 4\r\n 16 1 0 44.2381 865.654 4\r\n -16 1 0 412.033 749.153 6\r\n -16 -1 0 21.7773 644.867 2\r\n 16 1 1 13029.7 1790.59 4\r\n 16 -1 -1 12079.5 1573.39 4\r\n 16 -1 -1 10585.9 1224.16 7\r\n -16 -1 1 12673.2 1747.29 2\r\n 16 1 1 12756.6 1598.93 2\r\n -16 1 -1 11049.7 1716.92 6\r\n 16 1 1 11560.7 1357.57 5\r\n -16 -1 2 9729.23 1768.53 2\r\n 16 -1 -2 10113.5 1446.95 4\r\n 16 -1 -2 7948.29 1317.96 7\r\n 16 1 2 9280.42 1318.34 2\r\n -16 1 -2 11399.5 1631.85 6\r\n 16 1 2 7483.95 1436.23 4\r\n -16 1 -2 11647.6 2064.89 3\r\n -16 1 -3 20626.8 3071.29 3\r\n 16 1 3 24267.1 2529.18 4\r\n 16 -1 -3 21746.3 2262.82 7\r\n 16 -1 -3 26718.9 2428.56 4\r\n -16 -1 3 19578.6 2424.16 2\r\n 16 1 3 23798.9 1779.73 2\r\n -16 1 -3 20484.5 2236.36 6\r\n 16 -1 -3 23820.8 2072.96 5\r\n -16 -1 4 14479.5 2269.57 2\r\n -16 1 -4 16343.1 3020.51 3\r\n 16 1 4 16406.9 2304.16 4\r\n 16 -1 -4 15772.8 2256.44 7\r\n -16 1 -4 14279.9 1904.94 6\r\n 16 -1 -4 12797.5 1707.58 5\r\n -16 -1 5 378.972 722.816 2\r\n 16 -1 -5 261.429 884.682 5\r\n -16 1 -5 1513.01 948.717 3\r\n 16 -1 -5 167.564 1174.91 7\r\n 16 1 5 2045.82 976.678 4\r\n -16 1 -5 338.383 425.998 6\r\n 16 -1 -6 544.222 935.567 5\r\n -16 1 -6 1077.90 2093.42 3\r\n 16 -1 -6 311.537 1184.43 7\r\n 16 1 6 1148.06 1342.03 4\r\n -16 -1 6-1831.91 827.471 2\r\n -16 -2 -5 222.453 1292.68 3\r\n 16 2 -5-1494.63 1341.13 7\r\n 16 -2 5 213.035 1130.19 4\r\n -16 2 5 429.096 758.512 2\r\n -16 2 5-168.770 833.590 6\r\n -16 -2 -4 429.285 1250.69 3\r\n 16 2 -4 392.645 877.314 7\r\n 16 -2 4-8.89014 1076.07 4\r\n -16 -2 -4 707.563 468.643 6\r\n -16 2 4-724.644 716.939 2\r\n -16 2 4 80.4375 320.028 6\r\n -16 -2 -3 3723.53 1641.77 3\r\n 16 2 -3 3978.25 684.374 5\r\n 16 -2 3 5638.22 949.254 7\r\n 16 2 -3 3628.76 1159.50 7\r\n -16 2 3 2959.06 767.420 4\r\n 16 -2 3 4291.11 1405.13 4\r\n -16 2 3 3854.53 1303.64 2\r\n -16 -2 -3 4539.68 1076.58 6\r\n -16 2 3 3502.51 1337.13 6\r\n 16 -2 3 3367.82 1099.24 2\r\n -16 2 2 28231.1 2209.91 4\r\n 16 -2 2 28745.7 2688.22 4\r\n -16 2 2 25916.7 2527.31 2\r\n -16 -2 -2 30007.6 2036.99 2\r\n 16 2 -2 27197.6 2832.01 4\r\n 16 2 -2 32218.6 2647.14 7\r\n -16 2 2 25423.1 2787.86 6\r\n 16 2 -2 27598.0 1399.40 5\r\n -16 2 1 57021.0 3213.19 4\r\n 16 -2 1 60864.4 3542.46 4\r\n -16 2 1 59433.0 3532.23 2\r\n 16 2 -1 62372.4 3856.62 4\r\n 16 2 -1 55707.7 3412.26 7\r\n -16 -2 -1 62271.9 3209.90 2\r\n -16 2 1 53933.9 3808.37 6\r\n 16 -2 0 18699.3 1916.35 4\r\n 16 2 0 19009.5 2154.93 4\r\n 16 -2 0 22315.6 1389.77 7\r\n -16 -2 0 19583.3 2041.97 2\r\n -16 2 0 21407.3 2474.11 6\r\n 16 2 0 17120.5 1531.85 5\r\n 16 -2 -1 61521.9 3207.66 4\r\n 16 2 1 60546.0 3633.50 4\r\n 16 -2 -1 62166.3 2667.35 7\r\n -16 -2 1 60186.8 3657.19 2\r\n 16 2 1 64325.1 3499.68 2\r\n -16 2 -1 59525.3 3858.52 6\r\n 16 2 1 62600.5 3191.07 5\r\n -16 2 -2 30836.6 3325.35 3\r\n 16 2 2 28370.1 2681.77 4\r\n 16 -2 -2 27074.0 2153.70 4\r\n 16 -2 -2 24527.7 2054.75 7\r\n -16 -2 2 28383.1 2751.57 2\r\n -16 2 -2 27174.6 2708.69 6\r\n 16 2 2 26003.6 2115.03 2\r\n -16 -2 3 5871.90 1522.40 2\r\n -16 2 -3 3377.32 1363.75 3\r\n 16 -2 -3 4642.69 1049.66 5\r\n 16 -2 -3 3308.87 1043.27 7\r\n 16 2 3 3670.00 1262.30 4\r\n -16 2 -3 5096.36 1226.68 6\r\n 16 -2 -3 3183.44 945.997 4\r\n -16 -2 4-1814.25 1147.82 2\r\n 16 -2 -4-1686.23 887.908 5\r\n -16 2 -4-105.021 1331.44 3\r\n 16 -2 -4 743.560 741.793 7\r\n 16 2 4 983.344 1061.00 4\r\n -16 2 -4-281.462 681.879 6\r\n -16 -2 5 1725.80 1244.19 2\r\n 16 -2 -5 512.988 944.951 5\r\n -16 2 -5-2390.54 1716.86 3\r\n 16 -2 -5 362.209 1131.64 7\r\n -16 2 -5 44.6484 613.158 6\r\n 16 2 5-172.816 1134.33 4\r\n -16 -3 -5 4404.09 2160.89 3\r\n 16 3 -5 6615.04 1712.08 7\r\n 16 -3 5 7756.47 1973.88 4\r\n -16 3 5 6112.59 1760.12 6\r\n -16 -3 -4 3989.79 1879.55 3\r\n 16 3 -4 3032.92 1209.43 7\r\n 16 -3 4 3813.90 1297.42 4\r\n -16 3 4 2997.11 1090.78 6\r\n -16 -3 -3 1334.34 1190.95 3\r\n -16 3 3 3013.63 646.232 4\r\n 16 3 -3 2965.31 1165.56 7\r\n 16 -3 3 2938.21 1099.91 4\r\n -16 -3 -3 1537.44 482.604 2\r\n -16 3 3 1791.79 918.233 6\r\n -16 -3 -3 859.994 611.964 6\r\n -16 3 2 21529.5 2002.03 4\r\n 16 -3 2 26100.4 2664.87 4\r\n 16 -3 2 24147.3 1321.46 7\r\n 16 3 -2 25822.6 2602.76 7\r\n 16 3 -2 28790.2 3059.39 4\r\n -16 -3 -2 24989.0 1967.19 2\r\n -16 3 2 23249.2 2736.15 6\r\n -16 -3 -1 8480.06 1345.61 2\r\n 16 -3 1 7740.14 576.732 7\r\n 16 -3 1 8545.67 572.639 7\r\n -16 3 1 9454.71 1367.94 4\r\n 16 -3 1 8184.86 1505.76 4\r\n -16 3 1 7102.05 1712.14 6\r\n 16 3 -1 8849.48 829.976 5\r\n 16 3 -1 8159.00 1636.09 4\r\n 16 3 0 2686.87 635.287 5\r\n -16 -3 0 2761.14 956.729 2\r\n 16 -3 0 2763.67 455.964 7\r\n 16 -3 0 2304.26 830.428 4\r\n -16 3 0 2850.30 1163.67 6\r\n 16 3 0 2430.81 1082.33 4\r\n 16 3 1 7917.12 1271.52 5\r\n -16 -3 1 8538.94 1579.91 2\r\n 16 -3 -1 8079.88 943.437 7\r\n 16 -3 -1 8112.33 1243.97 4\r\n -16 3 -1 9801.91 1800.35 6\r\n 16 3 1 8515.42 1600.03 4\r\n -16 3 -2 23365.1 3106.31 3\r\n 16 3 2 26430.5 2661.61 4\r\n 16 -3 -2 26042.9 2013.35 4\r\n 16 -3 -2 24189.9 1977.98 7\r\n -16 -3 2 24917.7 2748.53 2\r\n -16 3 -2 24500.8 2733.80 6\r\n -16 3 -3 1645.51 1101.24 3\r\n -16 -3 3 1458.16 982.169 2\r\n 16 -3 -3 1350.45 834.683 5\r\n 16 -3 -3 2027.17 824.550 7\r\n -16 3 -3 1051.67 714.510 6\r\n 16 3 3 1326.89 948.879 4\r\n 16 -3 -3 2199.49 750.802 4\r\n 16 -3 -4 2963.49 1159.24 5\r\n -16 -3 4 2090.68 1157.01 2\r\n -16 3 -4 1010.28 1201.93 3\r\n 16 -3 -4 2453.75 986.437 7\r\n -16 3 -4 1988.24 913.455 6\r\n 16 3 4 1995.63 1005.74 4\r\n 16 -3 -5 6054.66 1634.09 5\r\n -16 -3 5 5189.64 1753.59 2\r\n -16 3 -5 5863.13 2238.77 3\r\n 16 -3 -5 6657.21 1623.71 7\r\n 16 3 5 3334.70 1397.24 4\r\n -16 -4 -5-5321.99 2421.77 3\r\n 16 4 -5-3417.71 1650.96 7\r\n 16 -4 5 1003.14 968.984 4\r\n -16 4 5 499.713 895.407 6\r\n -16 -4 -4 1986.14 1785.35 3\r\n 16 4 -4 4966.57 1251.67 7\r\n 16 -4 4 2406.62 1356.72 4\r\n -16 4 4 341.833 665.025 6\r\n -16 -4 -3 1963.35 1265.46 3\r\n 16 4 -3-779.899 824.743 7\r\n 16 -4 3 528.398 866.351 4\r\n -16 4 3 1301.45 953.897 6\r\n -16 -4 -3 827.356 515.833 2\r\n -16 -4 -2 6051.75 1073.64 2\r\n -16 4 2 5279.21 1086.34 4\r\n 16 -4 2 9316.53 1716.86 4\r\n 16 4 -2 5400.53 1471.92 7\r\n -16 4 2 6201.58 1478.74 6\r\n -16 -4 -1 9963.61 1540.70 2\r\n -16 4 1 10277.7 1545.39 4\r\n 16 -4 1 9259.13 1545.87 4\r\n -16 4 1 8623.67 1808.14 6\r\n 16 4 -1 6953.96 2056.21 4\r\n 16 -4 0 28275.4 2331.41 4\r\n 16 4 0 25821.6 2744.21 4\r\n -16 -4 0 25918.4 2550.53 2\r\n -16 4 0 26233.8 2921.11 6\r\n 16 4 0 26450.2 1658.60 5\r\n -16 4 -1 6065.24 1923.42 3\r\n 16 4 1 7941.29 1262.70 5\r\n -16 -4 1 10015.9 1856.69 2\r\n 16 -4 -1 9568.23 1398.10 4\r\n -16 4 -1 12514.2 2085.25 6\r\n 16 4 1 9647.78 1879.19 4\r\n -16 4 -2 7005.79 1791.19 3\r\n -16 -4 2 7349.35 1662.95 2\r\n 16 -4 -2 6623.24 949.745 7\r\n -16 4 -2 6007.08 1547.35 6\r\n 16 -4 -2 6059.91 1035.88 4\r\n 16 4 2 6029.11 1525.30 4\r\n 16 -4 -3 575.618 647.141 5\r\n -16 4 -3 178.863 1144.16 3\r\n -16 -4 3 1092.77 934.348 2\r\n 16 -4 -3 171.788 522.006 7\r\n -16 4 -3-464.660 614.922 6\r\n 16 4 3-82.1467 1058.89 4\r\n 16 -4 -3 757.840 504.639 4\r\n 16 -4 -4 1532.84 754.243 5\r\n -16 -4 4 931.708 844.259 2\r\n -16 4 -4 810.907 1330.68 3\r\n 16 -4 -4 1954.68 873.356 7\r\n -16 4 -4 1692.98 1129.59 6\r\n 16 4 4 2078.56 942.060 4\r\n 16 -4 -5 1707.14 1125.44 5\r\n -16 -4 5 1896.61 979.921 2\r\n 16 -4 -5 1860.08 987.740 7\r\n 16 4 5 1935.91 1240.83 4\r\n -16 -5 -4 6481.52 2057.90 3\r\n 16 -5 4 5179.22 1587.49 4\r\n 16 5 -4 7041.36 1711.82 7\r\n -16 5 4 6816.51 1862.15 6\r\n -16 -5 -3 5963.67 1931.45 3\r\n 16 -5 3 5052.38 1623.43 4\r\n 16 5 -3 3302.50 1384.99 7\r\n -16 5 3 5582.86 1634.14 6\r\n -16 -5 -2-868.550 640.225 2\r\n 16 -5 2-553.423 653.115 4\r\n 16 5 -2-186.387 951.714 7\r\n -16 5 2-237.681 772.029 6\r\n -16 -5 -1 5736.37 1312.17 2\r\n 16 -5 1 5658.23 1337.05 4\r\n -16 5 1 5297.59 1588.04 6\r\n 16 5 -1 5629.96 1589.46 4\r\n -16 -5 0 98.4368 656.254 2\r\n 16 -5 0-112.215 732.129 4\r\n -16 5 0-96.0220 558.482 6\r\n 16 5 0-567.479 875.181 4\r\n -16 5 -1 5818.06 1574.94 3\r\n -16 -5 1 4929.66 1522.18 2\r\n 16 -5 -1 7210.65 1160.30 4\r\n -16 5 -1 5702.45 1579.89 6\r\n 16 5 1 6584.48 1669.37 4\r\n -16 5 -2-468.128 1429.45 3\r\n -16 -5 2 164.001 1039.34 2\r\n -16 5 -2-858.562 1060.14 6\r\n 16 -5 -2 373.870 412.676 4\r\n 16 5 2 454.381 800.951 4\r\n 16 -5 -3 3228.40 1284.34 5\r\n -16 5 -3 6733.52 1995.35 3\r\n -16 -5 3 5416.70 1744.35 2\r\n -16 5 -3 5126.26 1643.26 6\r\n 16 5 3 1741.99 1294.01 4\r\n 16 -5 -4 5824.29 1601.26 5\r\n -16 -5 4 5413.77 1807.16 2\r\n -16 5 -4 6388.29 2237.60 3\r\n -16 5 -4 4170.08 1550.32 6\r\n 16 5 4 5856.17 1560.86 4\r\n -16 -6 -3 2221.54 1497.07 3\r\n 16 -6 3 1686.64 1256.93 4\r\n 16 6 -3 1866.45 1358.29 7\r\n -16 6 3 2036.90 1466.77 6\r\n -16 -6 -2 1898.03 647.572 2\r\n 16 -6 2 749.915 802.370 4\r\n 16 6 -2 378.493 1172.75 7\r\n -16 6 2 3035.47 1159.70 6\r\n -16 -6 -2 2457.39 1465.86 3\r\n -16 -6 -1 1496.88 959.193 2\r\n 16 -6 1 554.345 821.189 4\r\n -16 6 1 967.647 893.124 6\r\n -16 6 0 817.322 826.630 3\r\n -16 -6 0 2350.18 1045.65 2\r\n 16 -6 0 3009.77 923.304 4\r\n -16 6 0 1411.93 1197.05 6\r\n 16 6 0 3582.09 1578.02 4\r\n -16 6 -1-498.825 675.689 3\r\n -16 -6 1 1282.12 878.369 2\r\n 16 -6 -1 796.365 485.465 4\r\n -16 6 -1 1806.30 1074.12 6\r\n 16 6 1 263.078 895.516 4\r\n -16 6 -2 479.875 1173.84 3\r\n -16 -6 2 1720.86 1146.24 2\r\n -16 6 -2 2458.05 1422.41 6\r\n 16 6 2 2483.00 1280.76 4\r\n 16 -6 -3 2027.97 1403.05 5\r\n -16 6 -3 3141.46 1813.35 3\r\n -16 -6 3 3305.95 1514.98 2\r\n -16 6 -3 2851.92 1360.93 6\r\n 16 6 3 2548.66 1398.40 4\r\n 16 -7 2 671.639 977.864 4\r\n 16 7 -2-205.452 1086.01 7\r\n -16 7 2 768.203 905.168 6\r\n -16 -7 -1 1717.44 874.656 2\r\n 16 -7 1-950.017 879.517 4\r\n -16 7 1-565.517 839.639 6\r\n -16 -7 0 312.536 1132.57 2\r\n 16 -7 0 326.781 675.555 4\r\n -16 7 0 406.288 568.339 6\r\n -16 -7 1 2171.00 1202.36 2\r\n -16 7 -1 1939.24 1334.17 6\r\n 16 -7 -2 4262.55 1379.06 5\r\n -16 7 -2-1566.20 1253.93 3\r\n -16 -7 2 2020.44 1056.44 2\r\n -16 7 -2-614.481 714.267 6\r\n 16 7 2-2250.56 1699.48 4\r\n 17 0 0-2.99408 886.575 4\r\n -17 0 0 16.6612 1069.04 2\r\n 17 0 1 2252.98 847.306 2\r\n 17 0 -1 4275.07 1005.79 7\r\n 17 0 1 3857.87 1114.12 4\r\n -17 0 -1 3082.69 920.792 2\r\n 17 0 -1 3981.18 1076.61 4\r\n -17 0 -1 3740.74 1155.81 6\r\n -17 0 1 4214.16 1166.47 2\r\n 17 0 2 8649.82 1368.33 2\r\n 17 0 -2 10863.4 1491.41 7\r\n 17 0 2 10351.7 1663.73 4\r\n -17 0 -2 9486.04 1558.93 6\r\n 17 0 -2 9205.17 1545.90 4\r\n -17 0 2 10089.5 1727.72 2\r\n -17 0 -3 11.6895 1354.49 3\r\n 17 0 -3-52.6814 429.446 5\r\n 17 0 3-121.219 560.352 2\r\n 17 0 -3-723.231 624.732 7\r\n 17 0 3 120.208 918.704 4\r\n -17 0 -3 58.7979 722.560 6\r\n -17 0 3-198.009 619.886 2\r\n 17 0 -3 137.334 639.656 4\r\n 17 0 -4 1132.45 736.835 5\r\n -17 0 -4-1360.00 1177.66 3\r\n 17 0 -4-272.740 828.004 7\r\n 17 0 4-636.111 1214.77 4\r\n -17 0 -4 1196.37 537.409 6\r\n -17 0 4 779.248 920.489 2\r\n 17 0 -5 1755.52 597.969 5\r\n -17 0 -5 544.030 1477.16 3\r\n 17 0 -5-1562.94 948.597 7\r\n 17 0 5 105.550 903.036 4\r\n -17 0 5-395.369 562.783 2\r\n -17 -1 -5 107.437 1328.02 3\r\n 17 1 -5-1567.16 1182.83 7\r\n 17 -1 5 95.2377 836.015 4\r\n -17 1 5 1518.11 847.262 2\r\n 17 1 -4 3540.39 889.729 5\r\n -17 -1 -4 4240.18 1804.65 3\r\n 17 1 -4 3459.75 1243.37 7\r\n 17 -1 4 4227.92 1409.46 4\r\n -17 -1 -4 2741.63 775.178 6\r\n -17 1 4 1855.62 1058.46 2\r\n 17 -1 3 3056.52 915.862 2\r\n -17 -1 -3 3222.83 1497.36 3\r\n 17 1 -3 1806.26 685.576 5\r\n 17 1 -3 3213.72 878.383 1\r\n 17 -1 3 3166.69 753.616 7\r\n 17 1 -3 1885.20 1130.24 7\r\n 17 -1 3 3015.16 1250.20 4\r\n -17 -1 -3 3358.35 965.318 6\r\n -17 1 3 2981.01 1142.90 2\r\n 17 1 -3 3563.24 1346.33 4\r\n 17 -1 2 5784.09 1250.16 2\r\n -17 -1 -2 6504.01 1070.28 2\r\n 17 1 -2 5171.13 1187.00 7\r\n 17 -1 2 6906.71 1383.93 4\r\n -17 1 2 6174.63 1381.59 2\r\n -17 -1 -2 5018.56 1200.79 6\r\n 17 1 -2 5412.79 1413.62 4\r\n -17 -1 -1 12914.6 1591.59 2\r\n 17 1 -1 11210.0 1621.91 7\r\n 17 -1 1 10591.6 1647.90 4\r\n -17 1 1 11842.8 1790.58 2\r\n 17 1 -1 10707.7 1690.17 4\r\n 17 -1 0 2677.72 791.031 7\r\n -17 1 0 2713.47 956.533 2\r\n 17 -1 0 4034.68 1107.57 4\r\n 17 1 0 4610.16 1206.49 4\r\n -17 1 0 2100.07 1117.69 6\r\n -17 -1 0 3886.71 1165.58 2\r\n 17 1 1 14233.5 1946.84 4\r\n 17 -1 -1 13721.6 1695.68 4\r\n 17 -1 -1 11305.8 1379.99 7\r\n -17 -1 1 12453.9 1779.21 2\r\n 17 1 1 14126.3 1821.89 2\r\n -17 1 -1 13550.9 2008.01 6\r\n 17 1 1 10720.4 1443.36 5\r\n -17 -1 2 4302.14 1367.33 2\r\n 17 1 2 4713.44 1076.12 2\r\n 17 -1 -2 5863.00 1190.30 7\r\n 17 1 2 5390.01 1329.75 4\r\n -17 1 -2 5937.20 1267.72 6\r\n 17 -1 -2 6652.58 1237.87 4\r\n -17 1 -2 3984.09 1426.80 3\r\n -17 -1 3 3645.74 1332.60 2\r\n -17 1 -3 4022.37 1561.06 3\r\n 17 -1 -3 2900.29 874.511 5\r\n 17 1 3 4962.83 998.874 2\r\n 17 -1 -3 3486.08 1202.67 7\r\n 17 1 3 3317.03 1248.51 4\r\n -17 1 -3 3961.98 1152.59 6\r\n 17 -1 -3 2843.60 933.491 4\r\n -17 -1 4 3855.79 1055.72 2\r\n 17 -1 -4 3168.86 969.856 5\r\n -17 1 -4 3073.88 1777.52 3\r\n 17 -1 -4 1424.84 851.595 7\r\n 17 1 4 3734.43 1393.36 4\r\n -17 1 -4 2904.80 857.132 6\r\n -17 -1 5 77.2473 870.856 2\r\n 17 -1 -5 250.080 772.060 5\r\n -17 1 -5-724.193 1874.37 3\r\n 17 -1 -5 925.853 973.319 7\r\n 17 1 5 575.522 1066.30 4\r\n -17 -2 -5 1058.25 1589.22 3\r\n 17 2 -5 1205.09 1234.07 7\r\n 17 -2 5 1055.63 1528.72 4\r\n -17 2 5 2919.84 1043.73 2\r\n -17 2 5 1175.77 980.207 6\r\n -17 -2 -4 3743.74 1843.68 3\r\n 17 2 -4 3834.80 1216.61 7\r\n 17 -2 4 4121.39 1516.12 4\r\n -17 2 4 3695.34 1126.44 2\r\n -17 -2 -4 3228.59 804.879 6\r\n -17 2 4 1056.95 1000.92 6\r\n -17 -2 -3 4144.18 1897.80 3\r\n 17 -2 3 4753.57 989.908 7\r\n 17 2 -3 7343.36 1556.65 7\r\n -17 2 3 5000.69 1031.15 4\r\n 17 -2 3 6130.30 1442.55 4\r\n -17 2 3 6782.02 1465.14 2\r\n -17 -2 -3 7428.29 1312.38 6\r\n -17 2 3 6157.21 1659.95 6\r\n 17 2 -3 6611.24 819.182 5\r\n 17 2 -2 2335.33 478.789 5\r\n -17 2 2 1183.15 672.053 4\r\n 17 2 -2 2027.51 1050.74 7\r\n 17 -2 2 2283.49 983.141 4\r\n -17 2 2 1647.71 1091.02 2\r\n -17 -2 -2 2276.24 761.196 2\r\n -17 2 2 2844.71 1099.70 6\r\n 17 2 -2 1337.69 921.044 4\r\n -17 2 1 3010.75 1087.91 2\r\n 17 2 -1 2034.47 1149.82 7\r\n 17 -2 1 1999.32 1008.50 4\r\n -17 2 1 2683.82 1302.88 6\r\n 17 2 -1 3783.38 1337.53 4\r\n -17 -2 -1 2858.99 1014.79 2\r\n 17 -2 0 30427.8 2461.13 4\r\n 17 2 0 29333.7 2769.19 4\r\n 17 -2 0 32610.9 1748.66 7\r\n -17 -2 0 32513.6 2681.86 2\r\n -17 2 0 30072.9 2980.66 6\r\n 17 2 0 29812.3 2045.15 5\r\n 17 2 1 2760.42 815.519 5\r\n -17 -2 1 2064.13 1072.88 2\r\n 17 -2 -1 1571.41 619.884 7\r\n 17 2 1 2726.69 903.859 2\r\n 17 -2 -1 2152.59 1004.85 4\r\n 17 2 1 1949.91 1180.92 4\r\n -17 2 -1 1252.53 927.602 6\r\n -17 2 -2 2136.60 1496.96 3\r\n -17 -2 2 2040.47 1106.67 2\r\n 17 -2 -2 2348.50 751.235 7\r\n 17 2 2 2177.97 817.795 2\r\n 17 2 2 2519.66 1007.45 4\r\n -17 2 -2 1641.20 951.301 6\r\n 17 -2 -2 2231.81 876.730 4\r\n -17 -2 3 6639.47 1692.09 2\r\n -17 2 -3 5243.21 1828.89 3\r\n 17 -2 -3 6194.04 1238.91 5\r\n 17 -2 -3 6998.11 1392.45 7\r\n 17 2 3 5287.91 1538.27 4\r\n -17 2 -3 6163.11 1482.27 6\r\n 17 -2 -3 6856.97 1261.33 4\r\n -17 -2 4 4514.26 1416.99 2\r\n 17 -2 -4 1939.78 866.429 5\r\n -17 2 -4 1909.62 1565.58 3\r\n 17 -2 -4 3906.76 1293.81 7\r\n 17 2 4 3891.13 1297.30 4\r\n -17 2 -4 5592.15 1256.07 6\r\n -17 -2 5 486.120 1004.29 2\r\n 17 -2 -5 3212.40 972.349 5\r\n -17 2 -5 2992.65 1763.65 3\r\n 17 -2 -5 937.960 1231.68 7\r\n -17 2 -5 1436.70 823.002 6\r\n 17 2 5 2267.55 1271.88 4\r\n -17 -3 -5 976.976 1760.77 3\r\n 17 3 -5 6310.55 1598.44 7\r\n 17 -3 5 3566.71 1553.21 4\r\n -17 3 5 1628.96 950.768 6\r\n -17 -3 -4 55.2031 1224.20 3\r\n 17 3 -4-2086.78 1337.55 7\r\n 17 -3 4 259.142 1050.66 4\r\n -17 3 4-1004.82 931.871 6\r\n -17 -3 -3 303.661 1253.04 3\r\n 17 3 -3 695.684 849.035 7\r\n 17 -3 3 1496.17 1025.20 4\r\n -17 -3 -3 176.995 392.062 2\r\n -17 3 3 2728.79 964.630 6\r\n -17 -3 -3-5.42853 616.291 6\r\n 17 -3 2 11129.4 970.972 7\r\n -17 -3 -2 8972.38 1304.47 2\r\n -17 3 2 9006.81 1461.98 4\r\n 17 3 -2 11245.2 1836.62 7\r\n 17 -3 2 9957.29 1765.19 4\r\n -17 3 2 9550.12 1943.11 6\r\n 17 3 -2 10099.6 2100.58 4\r\n -17 -3 -1 7215.72 1298.62 2\r\n 17 -3 1 8792.75 652.699 7\r\n 17 -3 1 7737.33 601.932 7\r\n -17 3 1 9192.27 1394.01 4\r\n 17 -3 1 10675.2 1660.41 4\r\n -17 3 1 7744.49 1795.40 6\r\n 17 3 -1 9199.85 885.049 5\r\n 17 3 -1 8939.37 1811.62 4\r\n 17 3 0 5982.99 973.283 5\r\n -17 -3 0 7828.28 1464.31 2\r\n 17 -3 0 5764.99 636.963 7\r\n 17 -3 0 6324.36 1241.37 4\r\n -17 3 0 4758.12 1395.44 6\r\n 17 3 0 5731.93 1506.47 4\r\n 17 3 1 8433.28 1309.18 5\r\n -17 -3 1 7213.78 1668.66 2\r\n 17 -3 -1 8201.17 990.886 7\r\n 17 -3 -1 6778.10 1274.68 4\r\n -17 3 -1 9693.35 1900.77 6\r\n 17 3 1 7893.36 1654.38 4\r\n -17 3 -2 8534.16 2261.60 3\r\n -17 -3 2 9988.64 1902.93 2\r\n 17 -3 -2 11613.0 1471.04 4\r\n 17 -3 -2 11546.3 1456.77 7\r\n -17 3 -2 9269.88 1902.10 6\r\n 17 3 2 9653.03 1814.78 4\r\n -17 -3 3 302.131 661.475 2\r\n -17 3 -3 1418.81 1234.72 3\r\n 17 -3 -3 363.127 708.012 5\r\n 17 -3 -3-1338.86 870.637 7\r\n -17 3 -3 234.522 445.337 6\r\n 17 3 3-1554.79 1188.76 4\r\n 17 -3 -3 214.839 585.723 4\r\n -17 -3 4-657.328 988.237 2\r\n 17 -3 -4 2360.39 800.793 5\r\n -17 3 -4 1375.44 949.303 3\r\n 17 -3 -4 2594.97 905.402 7\r\n -17 3 -4-175.144 1034.39 6\r\n 17 3 4 567.468 975.052 4\r\n -17 -3 5 993.217 1006.97 2\r\n 17 -3 -5 2747.70 1049.84 5\r\n -17 3 -5 1585.19 1999.29 3\r\n 17 -3 -5 1747.86 989.690 7\r\n 17 3 5 1620.07 925.747 4\r\n -17 -4 -4 4798.66 1913.12 3\r\n 17 4 -4 2485.07 1227.83 7\r\n 17 -4 4 2784.85 1272.89 4\r\n -17 4 4 2661.41 1129.96 6\r\n -17 -4 -3 471.190 1234.82 3\r\n 17 4 -3 3026.50 910.173 7\r\n 17 -4 3-159.949 1118.01 4\r\n -17 4 3 74.6661 452.430 6\r\n -17 -4 -2 831.699 609.694 2\r\n -17 4 2 995.131 555.573 4\r\n 17 4 -2 539.992 782.802 7\r\n 17 -4 2 541.699 949.991 4\r\n -17 4 2 1040.71 1036.38 6\r\n -17 4 1 16361.3 1971.39 4\r\n 17 -4 1 16005.9 2033.75 4\r\n -17 -4 -1 17352.5 1987.84 2\r\n -17 4 1 15369.7 2338.40 6\r\n 17 4 -1 16283.9 2383.70 4\r\n 17 4 0 910.392 517.347 5\r\n -17 -4 0 2962.56 965.628 2\r\n 17 -4 0 1609.28 880.704 4\r\n -17 4 0 623.997 1233.35 6\r\n 17 4 0 3116.44 1434.71 4\r\n -17 4 -1 16698.1 2687.04 3\r\n 17 -4 -1 17675.9 1777.06 4\r\n -17 -4 1 21173.8 2537.36 2\r\n -17 4 -1 16787.4 2401.17 6\r\n 17 4 1 16694.3 2366.65 4\r\n 17 4 1 14685.3 1690.56 5\r\n -17 4 -2-402.742 1186.63 3\r\n -17 -4 2 995.847 725.616 2\r\n 17 -4 -2 142.022 304.933 7\r\n -17 4 -2 687.456 793.195 6\r\n 17 -4 -2 1658.81 583.842 4\r\n 17 4 2 1141.55 826.311 4\r\n 17 -4 -3-1387.94 654.906 5\r\n -17 4 -3-1467.54 1314.32 3\r\n -17 -4 3-821.923 819.493 2\r\n 17 -4 -3-365.593 622.912 7\r\n -17 4 -3-1347.02 865.038 6\r\n 17 4 3 316.117 698.574 4\r\n 17 -4 -4 1477.51 882.575 5\r\n -17 -4 4 2907.69 1438.73 2\r\n -17 4 -4 5110.46 1888.18 3\r\n 17 -4 -4 2750.21 851.929 7\r\n -17 4 -4 1858.56 1178.29 6\r\n 17 4 4 1718.42 1250.96 4\r\n -17 -5 -4-1891.43 1821.30 3\r\n 17 5 -4-1246.60 1097.09 7\r\n 17 -5 4-3090.18 1580.69 4\r\n -17 5 4-1570.24 1273.64 6\r\n -17 -5 -3 2245.18 1724.80 3\r\n 17 -5 3 3378.40 1363.77 4\r\n 17 5 -3 3749.75 1462.41 7\r\n -17 5 3 4602.17 1339.75 6\r\n -17 -5 -2 4275.58 994.182 2\r\n 17 -5 2 2573.13 1190.11 4\r\n 17 5 -2 4924.40 1427.84 7\r\n -17 5 2 4430.17 1404.80 6\r\n -17 -5 -1 3142.96 1061.11 2\r\n 17 -5 1 2177.37 1025.02 4\r\n -17 5 1 2994.60 1573.87 6\r\n 17 5 -1 3971.88 1502.41 4\r\n -17 -5 0 782.826 897.398 2\r\n 17 -5 0 66.2482 482.023 4\r\n -17 5 0 379.506 1100.37 6\r\n 17 5 0 1282.19 1258.64 4\r\n -17 5 -1 2597.23 1266.88 3\r\n -17 -5 1 3155.24 1215.61 2\r\n 17 -5 -1 3111.07 995.508 4\r\n -17 5 -1 2116.89 1328.63 6\r\n 17 5 1 3329.75 1344.37 4\r\n -17 5 -2 8458.41 1963.26 3\r\n -17 -5 2 6458.87 1802.97 2\r\n -17 5 -2 7199.19 1673.32 6\r\n 17 -5 -2 4873.01 997.325 4\r\n 17 5 2 4869.05 1432.75 4\r\n 17 -5 -3 2807.37 1230.31 5\r\n -17 5 -3 497.275 1556.20 3\r\n -17 -5 3 1991.57 1365.39 2\r\n -17 5 -3 3802.07 1447.29 6\r\n 17 5 3 3153.16 1507.02 4\r\n 17 -5 -4 82.6347 1280.45 5\r\n -17 -5 4-2307.88 1530.04 2\r\n -17 5 -4-2993.13 1638.38 3\r\n -17 5 -4 3301.47 1248.04 6\r\n 17 5 4 610.612 980.410 4\r\n -17 -6 -3 4003.05 1307.78 3\r\n 17 -6 3 1060.44 1051.87 4\r\n 17 6 -3 2027.14 1450.75 7\r\n -17 6 3 497.542 1281.54 6\r\n -17 -6 -2 1996.23 690.553 2\r\n 17 -6 2-105.671 697.255 4\r\n 17 6 -2 324.538 1082.90 7\r\n -17 6 2 1622.70 942.491 6\r\n -17 -6 -1 734.235 879.672 2\r\n 17 -6 1 2141.00 1058.18 4\r\n -17 6 1 101.060 1235.62 6\r\n -17 6 0 4606.71 1413.95 3\r\n -17 -6 0 4912.25 1597.58 2\r\n 17 -6 0 6954.97 1384.33 4\r\n -17 6 0 3792.77 1364.59 6\r\n 17 6 0 4163.72 1978.24 4\r\n -17 6 -1 1683.79 1337.73 3\r\n -17 -6 1 435.231 1247.00 2\r\n 17 -6 -1 280.215 732.875 4\r\n -17 6 -1-325.351 1245.15 6\r\n 17 6 1 1243.42 1317.73 4\r\n -17 6 -2 1270.27 1302.52 3\r\n -17 -6 2 1828.94 838.517 2\r\n -17 6 -2 2649.60 1454.08 6\r\n 17 6 2 750.665 1084.00 4\r\n 17 -6 -3 483.613 1007.07 5\r\n -17 6 -3 1992.72 1287.14 3\r\n -17 -6 3 2419.21 1286.15 2\r\n -17 6 -3 1973.39 1283.17 6\r\n 17 6 3 784.342 1017.83 4\r\n -17 -7 -1 74.0415 1399.06 2\r\n 17 -7 1-58.6548 998.899 4\r\n -17 7 1-1393.63 738.324 6\r\n -17 -7 0 1294.62 639.344 2\r\n 17 -7 0 909.272 659.825 4\r\n -17 -7 1 3205.15 1161.25 2\r\n -17 7 -1 919.671 1039.90 6\r\n 17 7 1 445.306 1192.91 4\r\n 18 0 0 93737.4 4506.03 4\r\n -18 0 0 90164.8 4338.14 2\r\n 18 0 -1 3991.94 968.489 7\r\n -18 0 -1 5518.54 1192.25 2\r\n 18 0 1 5324.24 1296.25 4\r\n 18 0 -1 4016.63 1237.68 4\r\n -18 0 -1 4568.07 1252.92 6\r\n -18 0 1 4395.99 1224.08 2\r\n 18 0 2 1241.80 746.719 2\r\n 18 0 -2 1004.34 701.152 7\r\n 18 0 2-184.407 1024.18 4\r\n -18 0 -2 2526.93 960.957 6\r\n 18 0 -2 1532.34 867.395 4\r\n -18 0 2 1575.85 1092.30 2\r\n -18 0 -3 61.8643 1405.61 3\r\n 18 0 -3 940.990 556.068 5\r\n 18 0 3-127.176 787.538 2\r\n 18 0 -3 1331.61 918.254 7\r\n 18 0 3 742.471 900.629 4\r\n -18 0 -3 782.043 792.383 6\r\n -18 0 3 2450.87 1009.11 2\r\n 18 0 -3-302.121 621.184 4\r\n 18 0 -4 772.113 578.328 5\r\n -18 0 -4-376.994 1926.62 3\r\n 18 0 -4-70.6537 1034.44 7\r\n 18 0 4-13.3624 1116.29 4\r\n -18 0 -4 367.269 536.217 6\r\n -18 0 4-199.278 783.274 2\r\n -18 0 -5 600.157 1164.94 3\r\n 18 0 -5-1003.49 1243.89 7\r\n 18 0 5 145.004 931.838 4\r\n -18 0 5 3268.43 1060.73 2\r\n -18 -1 -5 1174.27 1744.83 3\r\n 18 1 -5 3963.77 1276.90 7\r\n 18 -1 5 171.509 1267.14 4\r\n -18 1 5 1227.92 989.752 2\r\n 18 1 -4 4353.02 840.310 5\r\n -18 -1 -4 1928.80 1771.91 3\r\n 18 1 -4 4671.37 1301.74 7\r\n 18 -1 4 4339.51 1439.12 4\r\n -18 -1 -4 4310.28 995.446 6\r\n -18 1 4 2314.35 1215.45 2\r\n 18 -1 3 6399.26 1289.95 2\r\n -18 -1 -3 5040.51 1804.49 3\r\n 18 1 -3 5752.90 939.531 5\r\n 18 -1 3 3505.64 989.322 7\r\n 18 1 -3 5152.81 1498.95 7\r\n 18 -1 3 7052.55 1522.71 4\r\n -18 -1 -3 5918.01 1318.33 6\r\n -18 1 3 3754.28 1232.14 2\r\n 18 1 -3 6185.73 1670.77 4\r\n -18 -1 -2 991.725 657.497 2\r\n 18 1 -2 1087.90 817.570 7\r\n 18 -1 2 2239.20 922.838 4\r\n -18 1 2 1738.20 1065.81 2\r\n -18 -1 -2 892.413 814.022 6\r\n 18 1 -2 1344.45 933.657 4\r\n 18 -1 1 12105.8 1788.13 4\r\n 18 1 -1 15963.2 2067.32 4\r\n -18 -1 -1 13791.6 1736.21 2\r\n 18 1 -1 12070.7 1713.42 7\r\n -18 1 1 13341.8 1964.52 2\r\n -18 1 1 13033.6 2161.66 6\r\n 18 -1 0 12222.5 1769.24 4\r\n 18 -1 0 13396.0 1432.62 7\r\n -18 -1 0 13713.4 1868.03 2\r\n -18 1 0 13420.6 1889.37 2\r\n 18 1 0 12183.5 1859.95 4\r\n -18 1 0 12697.5 2032.14 6\r\n 18 -1 -1 13368.6 1820.15 4\r\n 18 -1 -1 12470.9 1446.83 7\r\n 18 1 1 11553.4 1787.64 4\r\n -18 1 -1 15076.6 2275.09 6\r\n -18 -1 1 12114.6 1920.38 2\r\n 18 1 2 877.946 626.466 2\r\n 18 -1 -2 1641.71 810.201 7\r\n 18 1 2 801.181 937.154 4\r\n -18 1 -2 1600.36 830.469 6\r\n 18 -1 -2 2119.72 904.321 4\r\n -18 -1 2 2140.20 914.963 2\r\n -18 1 -3 5713.39 1911.64 3\r\n 18 -1 -3 5549.70 1104.44 5\r\n 18 -1 -3 6079.72 1296.49 7\r\n 18 1 3 4706.02 1386.10 4\r\n -18 1 -3 6207.63 1416.36 6\r\n 18 -1 -3 3851.83 1146.26 4\r\n -18 -1 3 6666.54 1691.98 2\r\n 18 -1 -4 4087.83 1011.74 5\r\n -18 1 -4 4235.01 1959.10 3\r\n 18 -1 -4 2069.61 1065.56 7\r\n 18 1 4 3637.53 1348.61 4\r\n -18 1 -4 2638.58 1048.47 6\r\n -18 -1 4 3680.20 1269.97 2\r\n 18 -1 -5-114.493 979.315 5\r\n -18 1 -5 2069.46 1941.43 3\r\n 18 -1 -5 857.196 1199.58 7\r\n 18 1 5 756.099 862.276 4\r\n -18 -1 5 738.199 801.104 2\r\n -18 -2 -5-570.578 1381.10 3\r\n 18 2 -5-2164.73 1180.06 7\r\n 18 -2 5-745.267 1535.74 4\r\n -18 2 5-9.75830 389.694 2\r\n -18 2 5-2187.26 1240.09 6\r\n -18 -2 -4 800.111 1572.82 3\r\n 18 2 -4-1140.61 480.613 7\r\n 18 -2 4-374.881 1113.76 4\r\n -18 2 4-412.928 634.751 2\r\n -18 2 4 442.797 1009.83 6\r\n -18 -2 -3 11143.5 2489.60 3\r\n 18 2 -3 7943.45 1554.12 7\r\n -18 2 3 6721.64 1179.92 4\r\n 18 -2 3 11230.0 1877.80 4\r\n -18 -2 -3 11304.2 1613.56 6\r\n -18 2 3 9069.19 1650.59 2\r\n -18 2 3 10744.9 1916.15 6\r\n 18 2 -3 9058.35 938.243 5\r\n 18 2 -2 4300.48 638.721 5\r\n 18 2 -2 3617.19 1177.20 7\r\n 18 -2 2 2020.98 931.345 4\r\n -18 2 2 3645.12 1260.39 2\r\n -18 -2 -2 2081.21 730.358 2\r\n -18 2 2 2887.36 1249.75 6\r\n 18 2 -2 2820.02 1317.18 4\r\n 18 2 -1 324.690 864.074 7\r\n 18 -2 1 1355.44 793.305 4\r\n -18 2 1 2236.91 1104.18 6\r\n 18 2 -1 1232.10 1102.70 4\r\n -18 -2 -1-246.759 830.521 2\r\n 18 -2 0 8948.82 998.718 7\r\n 18 -2 0 9234.24 1448.65 4\r\n -18 2 0 8010.27 1730.56 6\r\n 18 2 0 8609.41 1706.69 4\r\n -18 -2 0 11297.4 1754.94 2\r\n 18 2 0 7626.91 1185.61 5\r\n 18 2 1 242.480 522.139 5\r\n -18 -2 1 1144.70 954.342 2\r\n 18 -2 -1 240.806 569.358 7\r\n 18 -2 -1 802.489 716.413 4\r\n 18 2 1-18.2880 1069.41 4\r\n -18 2 -1 218.769 880.061 6\r\n -18 -2 2 3019.48 1219.97 2\r\n -18 2 -2 2539.52 1388.28 3\r\n 18 -2 -2 3228.53 980.577 7\r\n 18 2 2 3027.38 1042.13 2\r\n 18 2 2 2840.87 1207.68 4\r\n -18 2 -2 4154.55 1288.71 6\r\n 18 -2 -2 3419.47 1029.79 4\r\n -18 -2 3 10640.7 2061.39 2\r\n -18 2 -3 7935.34 2315.57 3\r\n 18 -2 -3 10577.8 1612.82 5\r\n 18 -2 -3 13758.7 1776.72 4\r\n 18 -2 -3 9013.14 1576.86 7\r\n 18 2 3 11081.9 2042.02 4\r\n -18 2 -3 11079.0 1901.71 6\r\n -18 -2 4 381.249 701.500 2\r\n 18 -2 -4-659.863 829.385 5\r\n -18 2 -4-2898.67 1943.22 3\r\n 18 -2 -4-1522.43 957.837 7\r\n 18 2 4-1405.44 1121.39 4\r\n -18 2 -4-1197.83 864.973 6\r\n -18 -2 5 1051.61 750.537 2\r\n 18 -2 -5 1971.46 822.101 5\r\n 18 -2 -5 906.085 1119.47 7\r\n -18 2 -5-705.826 450.792 6\r\n 18 2 5-893.995 1292.11 4\r\n -18 -3 -5 4376.11 1526.44 3\r\n 18 3 -5 311.350 650.210 7\r\n 18 -3 5 3102.23 1454.52 4\r\n -18 3 5 3841.99 1259.71 6\r\n -18 -3 -4 2712.47 1480.95 3\r\n 18 3 -4 4254.30 1337.45 7\r\n 18 -3 4 3444.98 1473.43 4\r\n -18 3 4 2891.08 1217.43 6\r\n -18 -3 -3 1549.65 1257.71 3\r\n -18 -3 -3 1048.27 498.732 2\r\n 18 3 -3 1553.25 850.915 7\r\n 18 -3 3 515.972 941.054 4\r\n -18 3 3 75.7600 930.279 6\r\n -18 -3 -3 1924.10 733.920 6\r\n -18 3 2 3958.47 1151.87 4\r\n 18 3 -2 5406.07 1420.64 7\r\n 18 -3 2 6184.78 1390.77 4\r\n -18 3 2 6471.97 1637.33 6\r\n -18 -3 -2 6869.60 1146.52 2\r\n 18 3 -2 5360.70 1560.55 4\r\n 18 -3 1 14315.6 2004.33 4\r\n 18 -3 1 12483.6 821.494 7\r\n 18 -3 1 13507.8 839.737 7\r\n 18 3 -1 13555.8 1927.03 7\r\n -18 -3 -1 11668.0 1709.44 2\r\n -18 3 1 10344.0 2101.46 6\r\n 18 3 -1 12336.4 2188.78 4\r\n 18 3 0 5069.96 920.755 5\r\n -18 -3 0 3149.14 1065.14 2\r\n 18 -3 0 3016.11 516.872 7\r\n 18 -3 0 3244.35 1075.34 4\r\n -18 3 0 2932.36 1142.03 6\r\n 18 3 0 3782.05 1290.40 4\r\n -18 -3 1 11674.0 1948.43 2\r\n 18 -3 -1 13687.4 1710.64 4\r\n 18 -3 -1 12229.6 1214.74 7\r\n -18 3 -1 13401.0 2172.19 6\r\n 18 3 1 11493.1 2030.85 4\r\n 18 3 1 13882.6 1741.93 5\r\n -18 3 -2 5189.04 1611.24 3\r\n -18 -3 2 7771.31 1739.26 2\r\n 18 -3 -2 4239.15 1058.09 7\r\n -18 3 -2 5236.37 1381.83 6\r\n 18 3 2 6657.73 1482.16 4\r\n 18 -3 -2 5581.47 1159.98 4\r\n -18 -3 3 199.151 1359.47 2\r\n -18 3 -3 851.043 1404.48 3\r\n 18 -3 -3 950.012 812.404 5\r\n 18 -3 -3 2814.40 1026.28 7\r\n -18 3 -3 1585.57 897.978 6\r\n 18 3 3 1824.04 1234.44 4\r\n 18 -3 -3 1048.14 746.485 4\r\n -18 -3 4 2714.27 1022.21 2\r\n 18 -3 -4 3181.93 1240.35 5\r\n -18 3 -4 2377.46 2037.35 3\r\n 18 -3 -4 1937.15 982.896 7\r\n -18 3 -4 2632.29 1261.00 6\r\n 18 3 4 1953.47 991.184 4\r\n -18 -3 5-1877.74 1456.53 2\r\n 18 -3 -5 1288.82 1099.31 5\r\n -18 3 -5 1107.42 1579.15 3\r\n 18 -3 -5 661.743 879.750 7\r\n -18 3 -5-978.674 783.553 6\r\n 18 3 5 913.815 1314.04 4\r\n 18 4 -4 1510.56 1001.75 7\r\n 18 -4 4-53.8327 1160.10 4\r\n -18 4 4 349.940 1018.48 6\r\n -18 -4 -3 1703.41 1302.10 3\r\n 18 4 -3 503.820 684.611 7\r\n 18 -4 3-297.455 904.119 4\r\n -18 4 3-389.868 932.313 6\r\n 18 4 -2 3707.84 1150.75 7\r\n 18 -4 2 2271.81 1141.30 4\r\n -18 4 2 3661.23 1277.10 6\r\n -18 -4 -2 2763.93 804.828 2\r\n -18 -4 -1 2327.47 940.933 2\r\n 18 -4 1 2552.48 1108.40 4\r\n -18 4 1 2842.67 1242.14 6\r\n 18 4 -1 1326.66 1375.53 4\r\n -18 -4 0 13605.8 2056.14 2\r\n 18 -4 0 12810.0 1757.24 4\r\n -18 4 0 13114.8 2271.36 6\r\n 18 4 0 14289.4 2320.38 4\r\n -18 4 -1 2656.91 1524.62 3\r\n -18 -4 1 2349.75 1179.14 2\r\n 18 -4 -1 2352.29 954.393 4\r\n -18 4 -1 2541.51 1305.11 6\r\n 18 4 1 2951.21 1364.49 4\r\n -18 4 -2 330.523 1070.28 3\r\n -18 -4 2 1083.08 1108.07 2\r\n 18 -4 -2 1863.97 614.250 7\r\n -18 4 -2 1266.99 1052.36 6\r\n 18 -4 -2 2626.64 801.768 4\r\n 18 4 2 3874.30 1315.56 4\r\n -18 -4 3 109.959 984.554 2\r\n -18 4 -3 2146.24 1226.68 3\r\n 18 -4 -3-418.837 671.627 5\r\n 18 -4 -3 140.359 427.999 7\r\n -18 4 -3 585.937 762.694 6\r\n 18 4 3-397.482 1212.99 4\r\n 18 -4 -4-18.9074 830.772 5\r\n -18 -4 4 301.368 1129.17 2\r\n -18 4 -4-1313.02 1360.24 3\r\n 18 -4 -4 3617.19 904.770 7\r\n -18 4 -4 454.999 729.541 6\r\n 18 4 4 220.093 936.852 4\r\n -18 -5 -3 1675.88 1534.88 3\r\n 18 5 -3-38.6585 1465.19 7\r\n 18 -5 3 1295.87 1052.91 4\r\n -18 5 3 868.559 1334.14 6\r\n -18 -5 -2 7962.66 1330.69 2\r\n 18 5 -2 6803.35 1827.31 7\r\n 18 -5 2 7297.42 1739.30 4\r\n -18 5 2 9543.92 2121.34 6\r\n -18 -5 -1 1561.72 793.719 2\r\n 18 -5 1 2226.16 1041.55 4\r\n -18 5 1 1508.78 1064.05 6\r\n 18 5 -1 1008.11 1463.72 4\r\n -18 -5 0 1521.90 1030.58 2\r\n 18 -5 0 2589.98 1051.93 4\r\n -18 5 0 2547.92 1022.84 6\r\n 18 5 0 3565.05 1446.49 4\r\n -18 5 -1 963.204 1186.79 3\r\n -18 -5 1 2802.14 1327.16 2\r\n 18 -5 -1 3764.20 968.458 4\r\n -18 5 -1 1201.07 1118.28 6\r\n 18 5 1 2977.16 1479.50 4\r\n -18 5 -2 6520.56 2000.80 3\r\n -18 -5 2 6515.43 1873.63 2\r\n -18 5 -2 13100.8 2396.07 6\r\n 18 5 2 11761.2 2168.99 4\r\n 18 -5 -3 2476.50 1140.05 5\r\n -18 5 -3 1578.66 1678.90 3\r\n -18 -5 3 1664.10 1012.98 2\r\n -18 5 -3 863.119 805.283 6\r\n 18 5 3 2132.53 1282.69 4\r\n -18 -6 -3 4267.72 1841.72 3\r\n 18 -6 3 3771.49 1469.08 4\r\n 18 6 -3 3881.18 1372.77 7\r\n -18 6 3 1503.36 1542.70 6\r\n 18 -6 2 316.019 1013.70 4\r\n 18 6 -2-43.1176 1109.43 7\r\n -18 6 2 311.522 951.215 6\r\n -18 -6 -1 1624.50 982.460 2\r\n 18 -6 1 3593.16 1230.67 4\r\n -18 6 1 827.199 1061.38 6\r\n -18 6 0 2645.25 1094.86 3\r\n -18 -6 0 1396.46 950.497 2\r\n 18 -6 0 256.539 530.031 4\r\n -18 6 0-1867.99 1202.85 6\r\n 18 6 0-565.468 1511.40 4\r\n -18 6 -1 1045.29 1264.22 3\r\n -18 -6 1 959.488 1464.89 2\r\n -18 6 -1 5410.44 1462.13 6\r\n 18 6 1 4436.68 1458.02 4\r\n -18 6 -2 198.670 999.496 3\r\n -18 -6 2-2052.83 1627.27 2\r\n -18 6 -2-917.164 1083.75 6\r\n 18 6 2 1438.34 1397.54 4\r\n 18 -6 -3 2973.57 1317.45 5\r\n -18 -6 3 3665.43 1403.37 2\r\n -18 6 -3 2436.17 1414.41 6\r\n 18 6 3 1792.43 1422.90 4\r\n -18 -7 -1-823.726 879.057 2\r\n 18 -7 1-930.346 1264.72 4\r\n 18 7 -1 1548.75 1165.51 7\r\n -18 7 1 1545.94 788.547 6\r\n -18 -7 0-15.3980 854.667 2\r\n -18 7 0 471.072 947.023 6\r\n -18 -7 1-51.9625 1133.79 2\r\n -18 7 -1-3310.67 1435.61 6\r\n 18 7 1-1819.06 1655.86 4\r\n 19 0 0 483.358 844.078 4\r\n -19 0 0 1125.32 1075.85 2\r\n 19 0 -1 822.933 688.301 7\r\n -19 0 -1 905.340 834.777 2\r\n 19 0 1 817.225 973.376 4\r\n 19 0 -1 1074.29 767.381 4\r\n -19 0 1 2675.91 1175.64 2\r\n -19 0 -1 1577.71 944.657 6\r\n 19 0 -2 9092.97 1527.92 7\r\n 19 0 2 10418.5 1844.12 4\r\n -19 0 -2 10788.1 1776.93 6\r\n -19 0 2 7948.58 1774.37 2\r\n 19 0 -2 11000.8 1804.57 4\r\n -19 0 -3 6466.21 2368.75 3\r\n 19 0 -3 8677.66 1310.87 5\r\n 19 0 -3 7112.27 1493.21 7\r\n 19 0 3 8345.56 1752.53 4\r\n -19 0 -3 7611.20 1648.59 6\r\n -19 0 3 9164.98 1704.74 2\r\n 19 0 -3 10079.1 1809.22 4\r\n 19 0 -4 3889.22 1010.41 5\r\n -19 0 -4 4242.00 2180.59 3\r\n 19 0 -4 5324.11 1466.84 7\r\n 19 0 4 4080.39 1499.49 4\r\n -19 0 -4 3972.78 1056.84 6\r\n -19 0 4 7714.96 1810.72 2\r\n -19 0 -5-2670.39 2165.77 3\r\n 19 0 -5 2450.38 1004.19 7\r\n 19 0 5-365.819 1067.42 4\r\n -19 0 5-2601.53 976.346 2\r\n -19 -1 -5 2741.22 1423.50 3\r\n 19 1 -5 1274.70 1198.63 7\r\n -19 1 5 218.340 649.776 2\r\n -19 -1 -4 3239.45 2104.89 3\r\n 19 1 -4 2529.39 965.450 7\r\n 19 -1 4 2147.40 1337.73 4\r\n -19 -1 -4 1727.72 705.716 6\r\n -19 1 4 1015.04 1021.32 2\r\n -19 -1 -3 2128.98 1488.45 3\r\n 19 1 -3 1363.62 541.579 5\r\n 19 1 -3 813.507 1106.55 7\r\n 19 -1 3 1392.29 977.795 4\r\n -19 -1 -3 1977.69 879.049 6\r\n -19 1 3 1122.07 881.096 2\r\n 19 1 -3 491.946 1072.63 4\r\n 19 1 -2 8417.92 1558.65 7\r\n 19 -1 2 11160.5 1817.67 4\r\n -19 1 2 9619.43 1811.88 2\r\n -19 -1 -2 8812.90 1606.10 6\r\n 19 1 -2 11038.8 1914.02 4\r\n 19 -1 1 33401.7 2941.32 4\r\n -19 1 1 33841.5 2957.08 2\r\n 19 1 -1 34298.6 3058.64 4\r\n -19 -1 -1 34224.2 2653.62 2\r\n 19 1 -1 30089.4 2652.50 7\r\n -19 1 1 34499.7 3418.68 6\r\n 19 -1 0 26759.1 2596.92 4\r\n -19 1 0 25164.9 2515.59 2\r\n 19 1 0 23588.2 2605.10 4\r\n -19 -1 0 27772.5 2600.05 2\r\n 19 -1 0 25377.1 2011.39 7\r\n -19 1 0 27557.6 2992.92 6\r\n 19 1 1 27425.6 2727.95 4\r\n 19 -1 -1 32323.8 2734.93 4\r\n 19 -1 -1 30906.7 2243.36 7\r\n -19 -1 1 34543.4 3104.31 2\r\n -19 1 -1 31301.3 3127.65 6\r\n 19 1 2 8356.14 1519.84 2\r\n 19 -1 -2 9754.27 1492.88 7\r\n 19 1 2 10883.3 1839.04 4\r\n -19 1 -2 10349.9 1837.97 6\r\n 19 -1 -2 8986.31 1512.70 4\r\n -19 -1 2 10373.0 1877.92 2\r\n -19 1 -3 4829.03 1508.72 3\r\n 19 -1 -3 362.667 738.874 5\r\n 19 -1 -3 1793.79 753.879 7\r\n 19 1 3 2265.22 1265.52 4\r\n -19 1 -3 2251.31 937.676 6\r\n 19 -1 -3 1670.52 698.362 4\r\n -19 -1 3 1159.51 1050.55 2\r\n 19 -1 -4 1847.48 912.450 5\r\n -19 1 -4 3717.26 1830.25 3\r\n 19 -1 -4 2880.12 1147.56 7\r\n 19 1 4 2147.76 1439.67 4\r\n -19 1 -4 2779.44 980.379 6\r\n -19 -1 4 1534.96 1344.63 2\r\n 19 -1 -5-1183.15 933.894 5\r\n -19 1 -5-1565.75 1591.25 3\r\n 19 -1 -5-1387.27 783.995 7\r\n 19 1 5 362.039 1140.17 4\r\n -19 -1 5 33.7984 822.382 2\r\n -19 -2 -5 747.349 1715.77 3\r\n 19 2 -5 2446.59 969.470 7\r\n 19 -2 5 2482.86 1488.81 4\r\n -19 2 5 954.543 799.664 2\r\n -19 2 5 1694.33 1102.33 6\r\n -19 -2 -4 1888.49 2100.04 3\r\n 19 2 -4 1273.32 839.213 7\r\n 19 -2 4 2708.61 1241.27 4\r\n -19 2 4 3891.63 1109.09 2\r\n -19 2 4 1742.18 1069.13 6\r\n -19 -2 -3 6735.88 1882.95 3\r\n 19 2 -3 2688.10 1174.90 7\r\n 19 -2 3 2932.75 1336.02 4\r\n -19 2 3 3740.71 1212.58 2\r\n -19 -2 -3 4818.51 1163.44 6\r\n -19 2 3 3375.21 1233.60 6\r\n 19 -2 2 14241.9 2132.32 4\r\n -19 -2 -2 12874.2 1544.01 2\r\n 19 2 -2 12764.3 1867.36 7\r\n -19 2 2 13050.0 2196.34 2\r\n -19 2 2 13345.9 2316.03 6\r\n 19 2 -2 13231.9 2163.47 4\r\n 19 -2 1 7287.39 961.003 7\r\n 19 2 -1 8171.84 1558.59 7\r\n 19 -2 1 8161.32 1576.54 4\r\n -19 2 1 8036.98 1766.37 6\r\n 19 2 -1 7445.42 1103.91 5\r\n -19 -2 -1 7702.69 1374.65 2\r\n 19 2 -1 5896.04 1572.43 4\r\n 19 2 0 9292.41 1351.37 5\r\n 19 -2 0 12448.4 1732.84 4\r\n 19 -2 0 10843.3 1130.64 7\r\n -19 2 0 9813.42 1842.12 6\r\n 19 2 0 11040.0 1880.36 4\r\n -19 -2 0 9583.14 1671.79 2\r\n -19 -2 1 7598.81 1640.87 2\r\n 19 -2 -1 6640.20 1141.04 7\r\n 19 -2 -1 6255.13 1331.22 4\r\n 19 2 1 8048.63 1604.90 4\r\n -19 2 -1 7855.77 1669.84 6\r\n -19 -2 2 9479.01 1896.43 2\r\n -19 2 -2 13035.7 2654.33 3\r\n 19 -2 -2 12416.9 1743.60 4\r\n 19 -2 -2 10236.2 1532.92 7\r\n 19 2 2 9963.42 1659.16 2\r\n 19 2 2 11337.6 2079.67 4\r\n -19 2 -2 13482.4 2178.61 6\r\n -19 -2 3 5625.50 1650.81 2\r\n -19 2 -3 4321.35 1751.03 3\r\n 19 -2 -3 5115.67 1214.29 5\r\n 19 -2 -3 4374.65 1073.43 7\r\n 19 2 3 5662.06 1635.61 4\r\n -19 2 -3 2419.59 1243.69 6\r\n 19 -2 -3 5423.15 1266.16 4\r\n -19 -2 4 3061.74 1122.58 2\r\n 19 -2 -4 1720.09 957.528 5\r\n -19 2 -4 4098.08 1416.96 3\r\n 19 -2 -4 5476.30 1342.63 7\r\n 19 2 4 4003.57 1533.17 4\r\n -19 2 -4 1542.80 1029.49 6\r\n -19 -2 5 2003.22 1073.82 2\r\n 19 -2 -5 1322.70 775.780 5\r\n -19 2 -5 3993.26 2098.95 3\r\n 19 -2 -5-346.715 876.846 7\r\n 19 2 5-1317.38 1430.20 4\r\n 19 3 -4 376.298 788.340 7\r\n 19 -3 4 927.915 965.695 4\r\n -19 3 4 1545.55 813.714 6\r\n -19 -3 -3 552.069 1431.97 3\r\n 19 3 -3 1497.76 928.657 7\r\n 19 -3 3 3580.46 1055.18 4\r\n -19 3 3 916.352 997.516 6\r\n -19 -3 -3 2063.88 724.746 6\r\n 19 3 -2 389.831 905.762 7\r\n 19 -3 2 525.665 770.600 4\r\n -19 3 2 2098.28 1354.17 6\r\n -19 -3 -2 680.469 600.300 2\r\n 19 3 -2-335.901 1259.46 4\r\n 19 -3 1 8172.53 707.273 7\r\n 19 3 -1 5017.98 1362.41 7\r\n 19 -3 1 9557.45 1684.59 4\r\n -19 3 1 10001.7 2093.40 6\r\n 19 3 -1 7424.99 1818.34 4\r\n -19 -3 -1 6869.64 1398.62 2\r\n -19 -3 0 5977.34 1539.35 2\r\n 19 -3 0 6601.80 742.239 7\r\n 19 -3 0 5742.06 1391.09 4\r\n -19 3 0 7841.80 1694.18 6\r\n 19 3 0 7456.53 1622.01 4\r\n 19 3 1 6984.26 1324.90 5\r\n -19 -3 1 8171.83 1679.38 2\r\n 19 -3 -1 6202.57 914.235 7\r\n 19 -3 -1 6731.80 1314.72 4\r\n -19 3 -1 6213.96 1632.52 6\r\n 19 3 1 8792.96 1831.90 4\r\n -19 -3 2 31.9600 679.092 2\r\n -19 3 -2-463.202 1044.98 3\r\n 19 -3 -2 1754.81 601.740 7\r\n -19 3 -2 2674.58 900.685 6\r\n 19 3 2-127.285 1103.57 4\r\n 19 -3 -2 83.5712 738.173 4\r\n -19 -3 3 832.635 642.193 2\r\n -19 3 -3 656.174 1353.83 3\r\n 19 -3 -3 499.522 750.263 5\r\n 19 -3 -3 133.457 615.245 7\r\n -19 3 -3 1191.35 1028.64 6\r\n 19 3 3 1416.73 1235.37 4\r\n 19 -3 -3 1577.19 719.402 4\r\n -19 -3 4 1544.69 934.434 2\r\n 19 -3 -4-835.956 707.327 5\r\n -19 3 -4-1055.90 1522.46 3\r\n 19 -3 -4-148.181 306.681 7\r\n -19 3 -4-343.365 848.622 6\r\n 19 3 4 212.455 1059.71 4\r\n -19 -4 -4 534.427 1728.08 3\r\n 19 4 -4 4441.48 1717.42 7\r\n 19 -4 4 2281.19 1586.78 4\r\n -19 4 4 2089.82 1426.86 6\r\n -19 -4 -3 4384.29 2157.56 3\r\n 19 4 -3 6080.58 1500.71 7\r\n 19 -4 3 5950.41 1772.53 4\r\n -19 4 3 8807.79 1846.78 6\r\n 19 4 -2 2981.18 1137.10 7\r\n 19 -4 2 1667.80 929.897 4\r\n -19 4 2 2260.56 996.024 6\r\n -19 -4 -2 1537.76 745.558 2\r\n -19 -4 -1 1060.88 817.620 2\r\n 19 -4 1 2475.89 829.033 4\r\n -19 4 1 871.007 909.298 6\r\n 19 4 -1 339.306 1158.28 4\r\n -19 -4 0 775.995 761.595 2\r\n 19 -4 0 174.704 837.658 4\r\n -19 4 0 557.160 848.200 6\r\n 19 4 0-348.251 1344.94 4\r\n -19 4 -1 945.427 963.050 3\r\n -19 -4 1 3152.85 1020.88 2\r\n 19 -4 -1 1231.07 858.117 4\r\n -19 4 -1 1128.21 999.857 6\r\n 19 4 1 676.380 1229.94 4\r\n -19 4 -2 38.1906 877.399 3\r\n -19 -4 2 2218.90 1169.78 2\r\n -19 4 -2 3674.15 1253.24 6\r\n 19 -4 -2 1816.09 702.004 4\r\n 19 4 2 3589.05 1351.40 4\r\n -19 -4 3 4037.28 1394.59 2\r\n -19 4 -3 6351.73 2198.43 3\r\n 19 -4 -3 4287.65 1394.74 5\r\n -19 4 -3 3443.59 1561.87 6\r\n 19 4 3 5819.23 1622.18 4\r\n -19 -4 4 1816.85 1431.82 2\r\n 19 -4 -4 3811.98 1091.47 5\r\n -19 4 -4 2121.81 1447.78 3\r\n -19 4 -4 1882.63 1269.83 6\r\n 19 4 4 3242.24 1550.55 4\r\n 19 5 -3 3027.02 1134.20 7\r\n 19 -5 3 250.079 838.100 4\r\n -19 5 3 591.689 991.174 6\r\n -19 -5 -2 1832.78 835.741 2\r\n 19 5 -2 3973.08 1430.35 7\r\n 19 -5 2 4194.47 1338.99 4\r\n -19 5 2 4980.56 1468.16 6\r\n -19 -5 -1 3323.18 1157.26 2\r\n 19 -5 1 2626.10 1144.41 4\r\n -19 5 1 5935.13 1894.11 6\r\n 19 5 -1 1742.55 1252.99 4\r\n -19 -5 0 6950.94 1691.14 2\r\n 19 -5 0 6057.69 1422.56 4\r\n 19 5 0 4190.30 1735.23 4\r\n -19 5 -1 3249.25 1538.47 3\r\n -19 -5 1 4788.74 1639.80 2\r\n 19 -5 -1 3644.61 1011.81 4\r\n -19 5 -1 3541.71 1400.58 6\r\n 19 5 1 2099.55 1449.26 4\r\n -19 5 -2 3233.98 1755.93 3\r\n -19 -5 2 4301.38 1637.49 2\r\n -19 5 -2 5096.52 1569.08 6\r\n 19 5 2 6144.90 1585.29 4\r\n 19 -5 -3 1609.97 907.149 5\r\n -19 -5 3 2135.56 1285.58 2\r\n -19 5 -3-1227.51 1583.54 3\r\n -19 5 -3 457.410 822.872 6\r\n 19 5 3 782.432 893.022 4\r\n 19 -6 2-1656.01 1307.71 4\r\n -19 6 2-614.471 1170.02 6\r\n -19 -6 -1-2264.82 1000.04 2\r\n 19 -6 1 454.962 498.667 4\r\n -19 6 1-2978.44 1529.59 6\r\n -19 6 0 1031.22 1016.83 3\r\n -19 -6 0 865.988 697.789 2\r\n 19 -6 0 2634.44 1051.08 4\r\n -19 6 0 2899.42 1364.14 6\r\n 19 6 0-470.128 1353.99 4\r\n -19 6 -1-2006.53 1381.81 3\r\n -19 -6 1 532.335 1009.37 2\r\n -19 6 -1-2776.98 1372.20 6\r\n 19 6 1 1134.39 990.830 4\r\n -19 6 -2-2423.99 2004.23 3\r\n -19 -6 2-2883.47 1733.62 2\r\n -19 6 -2-2533.43 1489.99 6\r\n 19 6 2-2972.27 1798.51 4\r\n 20 0 0 9071.80 1421.82 7\r\n -20 0 0 11614.6 1744.82 2\r\n 20 0 0 9309.55 1664.04 4\r\n -20 0 0 8919.41 1801.87 6\r\n -20 0 -1 1288.86 781.621 2\r\n 20 0 -1 1498.44 763.278 7\r\n 20 0 1 1086.83 916.202 4\r\n -20 0 1-82.7173 849.088 2\r\n 20 0 -1 534.422 767.047 4\r\n -20 0 -1-4.26969 579.545 6\r\n 20 0 -2 5342.03 1304.91 7\r\n 20 0 2 5624.40 1399.29 4\r\n -20 0 -2 5982.68 1301.15 6\r\n -20 0 2 5383.25 1504.00 2\r\n 20 0 -2 7225.51 1534.45 4\r\n -20 0 -3-166.072 1179.98 3\r\n 20 0 -3-286.830 572.430 5\r\n 20 0 -3 1039.12 843.725 7\r\n 20 0 3 1476.14 1203.65 4\r\n -20 0 -3 413.069 799.031 6\r\n -20 0 3 204.437 1017.46 2\r\n 20 0 -3 868.026 851.378 4\r\n 20 0 -4 3286.90 1055.73 5\r\n -20 0 -4 4907.27 2378.56 3\r\n 20 0 -4 4618.99 1556.10 7\r\n 20 0 4 3813.34 1342.40 4\r\n -20 0 -4 3297.29 1036.69 6\r\n -20 0 4 3196.75 1186.12 2\r\n -20 0 -5 2675.58 1899.28 3\r\n 20 0 -5 1796.81 1039.91 7\r\n 20 0 5 3442.12 1556.45 4\r\n -20 0 5 930.357 931.968 2\r\n -20 -1 -4 4058.72 2236.16 3\r\n 20 1 -4 3374.30 1224.85 7\r\n 20 -1 4 4221.01 1488.76 4\r\n -20 1 4 3595.58 1127.04 2\r\n -20 -1 -3 9669.39 2467.07 3\r\n 20 1 -3 8352.96 1887.90 7\r\n 20 -1 3 8762.25 1898.68 4\r\n -20 -1 -3 7724.26 1605.22 6\r\n -20 1 3 10205.4 1845.10 2\r\n 20 1 -3 9077.41 1162.76 5\r\n 20 1 -3 11526.2 2269.56 4\r\n 20 1 -2 2628.97 967.735 7\r\n 20 -1 2 4480.76 1401.29 4\r\n -20 1 2 4452.15 1234.15 2\r\n -20 -1 -2 4235.88 1305.39 6\r\n 20 1 -2 4539.26 1432.38 4\r\n 20 1 -1 6640.67 1472.24 7\r\n 20 -1 1 5614.08 1366.71 4\r\n -20 1 1 5086.59 1434.31 2\r\n -20 -1 -1 5234.73 1179.22 2\r\n -20 1 1 4423.65 1531.03 6\r\n 20 1 -1 5458.80 1401.93 4\r\n -20 1 0 542.571 724.403 2\r\n 20 -1 0-227.461 677.711 7\r\n 20 -1 0 238.551 559.118 4\r\n 20 1 0 555.282 683.307 4\r\n -20 1 0 1455.30 973.530 6\r\n -20 -1 0-99.8334 1120.99 2\r\n 20 -1 -1 4766.83 1094.30 7\r\n 20 1 1 6107.23 1363.82 4\r\n 20 -1 -1 5615.83 1349.62 4\r\n -20 1 -1 4641.73 1464.12 6\r\n -20 -1 1 5484.38 1391.78 2\r\n 20 -1 -2 3851.37 928.562 7\r\n 20 1 2 6380.96 1601.18 4\r\n -20 1 -2 2728.24 935.504 6\r\n 20 -1 -2 4673.13 1164.59 4\r\n -20 -1 2 4671.32 1342.18 2\r\n -20 1 -3 11937.9 2636.32 3\r\n 20 -1 -3 7737.25 1371.09 5\r\n 20 -1 -3 10215.6 1762.25 7\r\n 20 1 3 8453.16 1836.45 4\r\n -20 1 -3 9308.28 1797.26 6\r\n 20 -1 -3 11839.2 1901.15 4\r\n -20 -1 3 8302.27 1822.69 2\r\n 20 -1 -4 2686.86 939.306 5\r\n -20 1 -4 1519.23 1834.92 3\r\n 20 -1 -4 4378.00 1359.99 7\r\n 20 1 4 3916.41 1438.27 4\r\n -20 1 -4 3317.89 948.825 6\r\n -20 -1 4 2613.44 1153.35 2\r\n -20 -2 -4-1085.12 1603.83 3\r\n 20 2 -4 1226.51 924.683 7\r\n 20 -2 4 384.624 853.353 4\r\n -20 2 4 207.225 357.423 2\r\n -20 2 4 29.8232 211.511 6\r\n -20 -2 -3 2740.91 1388.08 3\r\n 20 2 -3 1364.19 914.276 7\r\n 20 -2 3 1065.74 825.701 4\r\n -20 2 3 1337.85 857.613 2\r\n -20 -2 -3 892.342 607.100 6\r\n -20 2 3-16.7143 681.024 6\r\n 20 2 -2 1959.81 916.380 7\r\n 20 -2 2 234.484 1068.15 4\r\n -20 2 2-242.803 769.006 2\r\n -20 -2 -2 132.222 660.194 2\r\n -20 2 2 31.2923 870.958 6\r\n -20 -2 -2-199.037 976.798 6\r\n 20 2 -2-235.228 1161.97 4\r\n 20 -2 1 11854.0 1784.38 4\r\n 20 -2 1 12426.6 1241.70 7\r\n 20 2 -1 11977.8 1860.99 7\r\n -20 2 1 13104.1 2297.40 6\r\n -20 -2 -1 10403.8 1667.12 2\r\n 20 2 -1 12126.3 2132.48 4\r\n 20 2 0 1903.51 730.170 5\r\n 20 -2 0 2144.64 610.371 7\r\n 20 -2 0 3290.62 1197.97 4\r\n -20 2 0 2961.75 1132.47 6\r\n 20 2 0 3096.47 1253.12 4\r\n -20 -2 0 2847.97 876.817 2\r\n 20 -2 -1 11063.4 1368.75 7\r\n 20 -2 -1 12347.3 1825.81 4\r\n -20 2 -1 10971.1 2005.58 6\r\n 20 2 1 11699.3 2053.37 4\r\n -20 -2 1 13051.2 2040.60 2\r\n -20 -2 2 99.5169 957.463 2\r\n -20 2 -2-1430.50 1587.50 3\r\n 20 -2 -2 1083.47 608.316 7\r\n 20 2 2 327.373 1048.45 4\r\n -20 2 -2 1094.67 574.873 6\r\n 20 -2 -2-1035.57 767.503 4\r\n -20 -2 3-486.373 1240.60 2\r\n -20 2 -3 1887.82 1032.17 3\r\n 20 -2 -3 2539.52 878.317 5\r\n 20 -2 -3 1895.59 694.221 7\r\n 20 2 3 736.795 849.173 4\r\n -20 2 -3 619.680 1081.78 6\r\n 20 -2 -3 2555.04 1154.94 4\r\n 20 -2 -4-144.767 888.642 5\r\n -20 2 -4 1543.47 1309.03 3\r\n 20 -2 -4-848.827 819.100 7\r\n -20 2 -4-956.220 871.253 6\r\n 20 2 4 1135.55 1031.07 4\r\n -20 -3 -4 1723.16 1826.39 3\r\n 20 3 -4 2207.97 1100.70 7\r\n 20 -3 4 2299.81 1338.39 4\r\n -20 3 4 2021.11 1350.03 6\r\n -20 -3 -3 194.900 1128.01 3\r\n 20 3 -3 926.348 1014.56 7\r\n 20 -3 3 154.373 1173.23 4\r\n -20 3 3 1026.19 909.676 6\r\n -20 -3 -3-1454.22 860.065 6\r\n 20 3 -2 6410.92 1617.66 7\r\n 20 -3 2 6847.03 1646.51 4\r\n -20 3 2 7179.34 1872.63 6\r\n -20 -3 -2 6406.86 1207.77 2\r\n 20 3 -2 9411.94 2125.45 4\r\n 20 3 -1 1162.21 747.885 7\r\n 20 -3 1 83.0750 861.020 4\r\n -20 3 1-1014.83 1115.61 6\r\n 20 3 -1 947.637 968.291 4\r\n -20 -3 -1 2902.07 857.253 2\r\n -20 -3 0-117.546 647.561 2\r\n 20 -3 0-581.661 326.807 7\r\n 20 -3 0 694.033 826.309 4\r\n -20 3 0-1464.60 937.707 6\r\n 20 3 0 31.9881 821.355 4\r\n -20 -3 1 556.238 858.018 2\r\n 20 -3 -1 1100.67 413.959 7\r\n 20 -3 -1 511.995 601.905 4\r\n -20 3 -1 2418.91 1038.90 6\r\n 20 3 1 1525.46 1030.81 4\r\n -20 -3 2 5084.81 1428.76 2\r\n -20 3 -2 3859.69 2023.31 3\r\n 20 -3 -2 6461.33 1144.25 7\r\n -20 3 -2 7677.86 1731.24 6\r\n 20 3 2 6198.10 1720.29 4\r\n 20 -3 -2 7138.81 1373.81 4\r\n -20 -3 3 794.689 825.152 2\r\n -20 3 -3 921.293 1083.47 3\r\n 20 -3 -3 1706.97 859.401 5\r\n 20 -3 -3 760.387 710.640 7\r\n -20 3 -3 356.481 906.521 6\r\n 20 3 3 1414.45 1312.71 4\r\n 20 -3 -3 43.6168 893.366 4\r\n -20 -3 4 4593.70 1675.38 2\r\n 20 -3 -4 3629.40 1054.54 5\r\n -20 3 -4 3801.15 1551.87 3\r\n 20 -3 -4 3001.03 1021.07 7\r\n -20 3 -4-412.224 1114.16 6\r\n 20 3 4 2101.22 1280.15 4\r\n -20 -4 -3 888.875 1374.90 3\r\n 20 4 -3 682.089 992.558 7\r\n 20 -4 3 1365.46 1064.34 4\r\n -20 4 3 276.625 949.058 6\r\n 20 4 -2 627.385 834.323 7\r\n 20 -4 2 169.793 932.051 4\r\n -20 4 2 635.266 913.397 6\r\n -20 -4 -2 776.327 571.631 2\r\n -20 -4 -1 1484.04 900.340 2\r\n 20 4 -1 2599.58 1094.18 7\r\n 20 -4 1 2554.78 1172.04 4\r\n -20 4 1 1546.53 1220.18 6\r\n 20 4 -1 997.312 1008.84 4\r\n -20 -4 0 2610.76 1037.89 2\r\n 20 -4 0 1040.27 924.984 4\r\n -20 4 0 2767.21 1440.82 6\r\n 20 4 0 2211.98 1393.80 4\r\n -20 4 -1 3295.48 1457.59 3\r\n -20 -4 1 2991.08 1083.71 2\r\n 20 -4 -1 1732.23 884.829 4\r\n -20 4 -1 1582.48 1100.10 6\r\n 20 4 1 1511.97 929.775 4\r\n -20 -4 2 332.514 703.063 2\r\n -20 4 -2-1334.89 1436.76 3\r\n -20 4 -2 1015.73 1283.80 6\r\n 20 -4 -2 1141.35 666.052 4\r\n -20 -4 3 464.691 1234.86 2\r\n -20 4 -3 4309.31 1750.94 3\r\n 20 -4 -3 918.899 907.264 5\r\n -20 4 -3 2737.62 1408.85 6\r\n 20 4 3 317.363 1422.36 4\r\n -20 -5 -3 4125.21 1912.44 3\r\n 20 5 -3 1857.79 814.121 7\r\n -20 5 3 2848.76 843.495 6\r\n 20 5 -2-1968.49 1189.54 7\r\n 20 -5 2 473.031 716.705 4\r\n -20 5 2-3053.65 1645.80 6\r\n -20 -5 -1 2967.66 1047.32 2\r\n 20 5 -1 2297.69 1307.83 7\r\n 20 -5 1 1518.87 1226.50 4\r\n -20 5 1 1970.23 1283.91 6\r\n 20 5 -1 1582.64 1492.22 4\r\n -20 -5 0 617.699 1022.77 2\r\n 20 -5 0 874.076 437.609 4\r\n -20 5 0-385.792 657.896 6\r\n 20 5 0 34.8193 1093.09 4\r\n -20 5 -1 2266.43 1504.06 3\r\n -20 -5 1 647.867 845.726 2\r\n 20 -5 -1-455.979 987.066 4\r\n -20 5 -1 2046.89 1287.85 6\r\n 20 5 1 2773.65 1505.53 4\r\n -20 5 -2-743.576 1319.42 3\r\n -20 -5 2-655.021 847.766 2\r\n -20 5 -2 383.467 794.395 6\r\n 20 5 2 291.303 1380.82 4\r\n -20 -5 3 1263.49 1069.62 2\r\n 20 -5 -3 1588.75 960.558 5\r\n -20 5 -3 1401.38 1424.33 3\r\n -20 5 -3-1300.40 775.410 6\r\n 20 5 3 293.504 1420.68 4\r\n -20 -6 -1-1098.51 831.114 2\r\n 20 6 -1-667.016 850.204 7\r\n 20 -6 1-634.511 1276.38 4\r\n -20 6 1-393.255 407.580 6\r\n -20 6 0 1843.85 1271.19 3\r\n -20 -6 0 4365.56 1144.16 2\r\n 20 -6 0 3345.06 993.731 4\r\n -20 6 0 2163.11 1210.10 6\r\n 20 6 0 2170.93 1596.25 4\r\n -20 6 -1-1524.99 1479.57 3\r\n -20 -6 1 345.408 418.245 2\r\n -20 6 -1-1068.27 1141.60 6\r\n 21 0 0 130.329 290.316 7\r\n -21 0 0 253.374 433.013 2\r\n 21 0 0-1392.68 918.182 4\r\n -21 0 0 14.4226 739.082 6\r\n -21 0 -1 855.973 768.694 2\r\n 21 0 -1 1370.97 804.580 7\r\n 21 0 1 2072.55 1018.78 4\r\n -21 0 1 1364.99 1037.56 2\r\n 21 0 -1 1743.47 1117.35 4\r\n -21 0 -1 1283.25 738.295 6\r\n 21 0 -2 30.0389 478.399 7\r\n 21 0 2 740.992 987.344 4\r\n -21 0 -2 383.260 672.055 6\r\n -21 0 2-57.3919 1099.43 2\r\n 21 0 -2-171.483 948.651 4\r\n -21 0 -3 5183.70 2100.34 3\r\n 21 0 -3 5775.54 1109.35 5\r\n 21 0 -3 7393.63 1706.41 7\r\n 21 0 3 7786.77 1840.13 4\r\n -21 0 -3 5487.90 1469.65 6\r\n -21 0 3 6268.45 1783.16 2\r\n 21 0 -3 6374.05 1596.18 4\r\n -21 0 -4 2749.16 2345.42 3\r\n 21 0 -4 1540.85 1127.81 7\r\n 21 0 4 1815.38 1459.51 4\r\n -21 0 -4 2140.99 897.595 6\r\n -21 0 4 1722.32 1078.85 2\r\n -21 -1 -4-652.558 2498.31 3\r\n 21 1 -4 456.820 753.256 7\r\n 21 -1 4-73.2636 708.975 4\r\n -21 1 4-2051.06 1311.62 2\r\n 21 1 -3 1250.62 936.492 7\r\n 21 -1 3 1351.61 1051.32 4\r\n -21 1 3-1812.75 1058.13 2\r\n -21 -1 -3-628.529 783.388 6\r\n 21 1 -3-315.588 1160.71 4\r\n 21 1 -2 930.699 762.487 7\r\n 21 -1 2 1251.64 1096.69 4\r\n -21 1 2 429.782 605.720 2\r\n -21 -1 -2 1066.10 923.457 6\r\n -21 1 2 2278.90 953.040 6\r\n 21 1 -2 1546.20 1081.44 4\r\n 21 1 -1 3662.88 1085.86 7\r\n 21 -1 1 2589.33 1200.47 4\r\n -21 1 1 2692.25 1087.39 2\r\n -21 -1 -1 680.966 815.620 2\r\n -21 1 1 2199.24 1165.21 6\r\n -21 -1 -1 2529.95 1053.67 6\r\n 21 1 -1 1968.12 1027.18 4\r\n -21 1 0 420.834 682.712 2\r\n 21 -1 0 485.113 544.765 7\r\n 21 -1 0 922.474 744.749 4\r\n 21 1 0-447.531 614.971 4\r\n -21 1 0 1397.51 695.992 6\r\n -21 -1 0 627.543 694.132 2\r\n 21 -1 -1 1938.36 840.242 7\r\n 21 1 1 3950.23 1284.43 4\r\n 21 -1 -1 1771.99 946.956 4\r\n -21 1 -1 1624.18 1063.07 6\r\n -21 -1 1 2998.13 1173.79 2\r\n 21 -1 -2 2570.67 734.711 7\r\n 21 1 2 894.826 958.114 4\r\n -21 1 -2-131.638 779.246 6\r\n 21 -1 -2-11.2252 906.177 4\r\n -21 -1 2 922.551 890.683 2\r\n -21 1 -3 332.823 1352.10 3\r\n 21 -1 -3 288.277 709.100 5\r\n 21 -1 -3 1540.88 669.272 7\r\n 21 1 3-279.433 1303.04 4\r\n -21 1 -3-2023.72 1149.51 6\r\n -21 -1 3-1998.16 1152.79 2\r\n 21 -1 -3-995.841 940.295 4\r\n 21 -1 -4 902.852 562.376 5\r\n 21 -1 -4 2070.37 825.755 7\r\n -21 1 -4 1340.19 769.001 6\r\n -21 -1 4 2829.19 1043.82 2\r\n -21 -2 -4 3432.31 2265.13 3\r\n 21 2 -4 3165.80 1156.22 7\r\n 21 -2 4-388.525 1129.07 4\r\n -21 2 4 2397.06 852.058 2\r\n -21 2 4 2283.01 1156.90 6\r\n -21 -2 -3-765.126 1598.64 3\r\n 21 2 -3 515.072 744.689 7\r\n 21 -2 3-81.9419 1026.66 4\r\n -21 2 3 1568.63 957.475 2\r\n -21 -2 -3 366.566 403.368 6\r\n -21 2 3-1700.78 1407.80 6\r\n 21 2 -2 4013.23 1211.03 7\r\n 21 -2 2 4274.66 1462.55 4\r\n -21 2 2 6756.73 1652.55 2\r\n -21 -2 -2 7605.87 1288.46 2\r\n -21 2 2 6908.38 1636.85 6\r\n -21 -2 -2 7229.70 1586.00 6\r\n 21 2 -2 5129.71 1605.88 4\r\n 21 -2 1 2371.48 608.233 7\r\n 21 2 -1 2840.23 982.766 7\r\n 21 -2 1 3127.47 1097.80 4\r\n -21 2 1 485.003 1486.15 6\r\n -21 -2 -1 1485.03 863.648 2\r\n 21 2 -1 2109.47 1427.82 4\r\n 21 -2 0 1897.16 651.990 7\r\n 21 -2 0 877.954 799.387 4\r\n -21 2 0 1913.15 1135.00 6\r\n 21 2 0 1421.78 898.145 4\r\n -21 -2 0 511.227 862.551 2\r\n 21 -2 -1 2247.19 631.234 7\r\n 21 -2 -1 2395.36 975.446 4\r\n -21 2 -1 3051.14 1093.91 6\r\n 21 2 1 2117.84 1119.85 4\r\n -21 -2 1 2622.33 1238.82 2\r\n -21 2 -2 2921.07 1867.31 3\r\n 21 -2 -2 5807.19 1222.65 7\r\n 21 2 2 7303.00 1777.29 4\r\n -21 2 -2 5639.27 1472.64 6\r\n 21 -2 -2 4803.71 1198.01 4\r\n -21 -2 2 3615.91 1289.07 2\r\n -21 -2 3-572.266 1336.11 2\r\n -21 2 -3 136.254 1246.65 3\r\n 21 -2 -3 322.490 647.273 5\r\n 21 -2 -3-547.729 896.898 7\r\n 21 2 3-254.790 826.682 4\r\n -21 2 -3 2188.07 1152.08 6\r\n 21 -2 -3 70.9329 897.681 4\r\n -21 -2 4 827.300 1089.69 2\r\n 21 -2 -4 3316.83 946.047 5\r\n -21 2 -4 43.7140 1987.47 3\r\n 21 -2 -4 4816.89 1149.08 7\r\n -21 2 -4-736.576 981.580 6\r\n 21 2 4-58.0793 1365.87 4\r\n -21 -3 -3 2238.51 1801.46 3\r\n 21 3 -3 2742.41 1229.51 7\r\n 21 -3 3 1935.18 1209.19 4\r\n -21 3 3 4392.44 1282.33 6\r\n -21 -3 -3 2463.79 899.555 6\r\n 21 3 -2 447.155 843.970 7\r\n 21 -3 2-1486.83 1129.08 4\r\n -21 -3 -2 1794.69 789.856 2\r\n -21 3 2-827.997 1461.47 6\r\n 21 3 -2-2033.81 1125.46 4\r\n 21 3 -1 4704.88 1248.63 7\r\n 21 -3 1 5530.62 1430.69 4\r\n -21 3 1 7258.19 1703.83 6\r\n 21 3 -1 7459.61 2070.98 4\r\n -21 -3 -1 5607.43 1368.99 2\r\n 21 -3 0 3280.93 1163.15 4\r\n -21 3 0 5053.81 1487.80 6\r\n 21 3 0 3221.99 1368.47 4\r\n -21 -3 0 4073.32 1296.35 2\r\n -21 -3 1 6590.67 1626.94 2\r\n 21 -3 -1 5763.02 1318.22 4\r\n -21 3 -1 4884.15 1538.29 6\r\n 21 3 1 4867.57 1636.24 4\r\n -21 -3 2-84.7979 827.097 2\r\n -21 3 -2 1034.33 965.456 3\r\n 21 -3 -2 1295.84 474.099 7\r\n -21 3 -2 2958.15 1048.97 6\r\n 21 3 2 1342.32 1276.22 4\r\n 21 -3 -2-133.164 1014.28 4\r\n -21 -3 3 2608.06 1160.45 2\r\n -21 3 -3 3325.84 2027.55 3\r\n 21 -3 -3 3025.98 1200.82 5\r\n 21 -3 -3 2789.64 796.112 7\r\n -21 3 -3 1211.17 1397.93 6\r\n 21 3 3 1186.78 986.367 4\r\n -21 -4 -3 917.526 1179.22 3\r\n 21 4 -3 3616.48 1203.03 7\r\n 21 -4 3 617.019 902.061 4\r\n -21 4 3 1068.55 1002.20 6\r\n 21 4 -2 1379.35 1150.51 7\r\n -21 4 2-403.784 704.647 6\r\n -21 -4 -2-1307.31 841.349 2\r\n 21 4 -1 4102.71 1516.31 7\r\n 21 -4 1 3363.16 1140.35 4\r\n -21 4 1 4531.91 1341.93 6\r\n 21 4 -1 3869.70 1433.02 4\r\n -21 -4 -1 1167.57 934.889 2\r\n -21 -4 0 504.679 755.691 2\r\n 21 -4 0 314.790 654.193 4\r\n -21 4 0-1456.91 1267.07 6\r\n 21 4 0-620.867 997.818 4\r\n -21 4 -1 637.028 1054.10 3\r\n -21 -4 1 3574.82 1315.98 2\r\n 21 -4 -1 3091.08 1052.90 4\r\n -21 4 -1 887.296 1311.76 6\r\n 21 4 1 2335.92 1193.35 4\r\n -21 -4 2 693.245 899.902 2\r\n -21 4 -2 613.557 1264.32 3\r\n -21 4 -2 826.287 885.672 6\r\n 21 -4 -2 270.031 594.556 4\r\n 21 4 2 465.361 1099.14 4\r\n -21 -4 3 1833.71 964.243 2\r\n -21 4 -3 1097.82 1707.86 3\r\n 21 -4 -3 352.838 1224.01 5\r\n -21 4 -3 1347.16 1073.04 6\r\n 21 4 3 1988.61 1015.07 4\r\n 21 -5 2-171.351 793.671 4\r\n -21 5 2-1481.13 1135.70 6\r\n -21 -5 -1-1749.99 1094.29 2\r\n 21 5 -1 994.241 958.048 7\r\n 21 -5 1 531.918 847.509 4\r\n -21 5 1 2471.08 1418.19 6\r\n 21 5 -1-1510.20 1357.63 4\r\n -21 -5 0 1758.21 1115.59 2\r\n 21 -5 0 3361.44 1232.17 4\r\n -21 5 0 2135.18 1417.02 6\r\n 21 5 0 3618.42 1630.77 4\r\n -21 5 -1-2897.58 1503.73 3\r\n -21 -5 1 951.893 912.254 2\r\n 21 -5 -1 1232.42 891.063 4\r\n -21 5 -1-2008.51 1489.22 6\r\n 21 5 1-482.899 1447.22 4\r\n -21 -5 2-546.969 1138.63 2\r\n -21 5 -2-659.265 1457.07 3\r\n -21 5 -2 957.061 864.964 6\r\n 21 5 2 1162.51 1258.14 4\r\n 22 0 0 802.827 621.648 7\r\n -22 0 0 708.983 632.747 2\r\n 22 0 0-377.633 771.122 4\r\n -22 0 0 306.868 730.248 6\r\n 22 0 -1 6924.20 1331.40 7\r\n 22 0 1 5888.45 1674.30 4\r\n -22 0 1 6712.57 1712.78 2\r\n -22 0 -1 7506.02 1542.21 6\r\n 22 0 -1 6319.40 1499.83 4\r\n 22 0 -2 2742.22 1030.76 7\r\n 22 0 2 2035.14 1054.34 4\r\n -22 0 -2 1071.51 1131.51 6\r\n -22 0 2 2277.27 1310.68 2\r\n 22 0 -2 2678.38 1328.90 4\r\n -22 0 -3 1752.39 1719.19 3\r\n 22 0 -3 3930.50 938.697 5\r\n 22 0 -3 715.740 1022.35 7\r\n 22 0 3 3583.22 1373.66 4\r\n -22 0 -3 1182.66 1019.19 6\r\n -22 0 3 2614.07 1132.74 2\r\n 22 0 -3 2142.00 1277.68 4\r\n -22 0 -4 282.461 2578.49 3\r\n 22 0 -4 607.381 1030.62 7\r\n 22 0 4 1084.20 1528.79 4\r\n -22 0 4 6129.57 1461.54 2\r\n 22 1 -4 1214.42 1059.36 7\r\n 22 -1 4 3385.08 1248.39 4\r\n -22 1 4 686.554 786.000 2\r\n -22 -1 -3-206.552 1490.55 3\r\n 22 1 -3 893.319 1165.18 7\r\n 22 -1 3 1916.85 1248.19 4\r\n -22 1 3 1557.08 738.697 2\r\n -22 -1 -3 839.797 917.010 6\r\n 22 1 -3 1230.00 987.944 4\r\n 22 1 -2 2621.13 970.359 7\r\n 22 -1 2 286.492 1066.97 4\r\n -22 1 2 1800.27 891.889 2\r\n -22 -1 -2 2794.38 1328.01 6\r\n -22 1 2 104.156 760.771 6\r\n 22 1 -2 948.208 1154.67 4\r\n 22 1 -1-1159.26 850.229 7\r\n -22 1 1-573.261 649.011 2\r\n 22 -1 1 1257.09 905.340 4\r\n -22 -1 -1 152.416 602.590 2\r\n -22 1 1-1129.45 1005.02 6\r\n -22 -1 -1 944.950 990.483 6\r\n 22 1 -1 1099.30 1057.96 4\r\n 22 -1 0 1180.84 686.416 7\r\n 22 -1 0 722.517 726.651 4\r\n -22 -1 0 1263.92 1064.99 2\r\n 22 1 0 541.536 970.455 4\r\n -22 1 0-233.394 801.803 6\r\n 22 -1 -1-45.3401 489.979 7\r\n 22 1 1 642.773 1158.96 4\r\n -22 1 -1-988.853 783.865 6\r\n 22 -1 -1-58.3877 919.723 4\r\n -22 -1 1 440.509 928.389 2\r\n 22 -1 -2 78.5611 680.548 7\r\n 22 1 2 4012.53 1299.60 4\r\n -22 1 -2 1121.22 1053.21 6\r\n 22 -1 -2 2781.29 1008.29 4\r\n -22 -1 2 2251.91 1182.03 2\r\n -22 1 -2 2173.82 1342.94 3\r\n -22 1 -3-1576.40 1547.77 3\r\n 22 -1 -3 2876.70 761.935 5\r\n 22 -1 -3 1126.64 831.692 7\r\n 22 1 3 2017.99 1252.04 4\r\n -22 1 -3 1459.71 1012.67 6\r\n -22 -1 3 1389.22 1037.74 2\r\n 22 -1 -3 1763.71 1054.09 4\r\n 22 -1 -4 1186.41 520.346 5\r\n -22 1 -4 1359.01 1307.85 3\r\n 22 -1 -4 138.658 632.168 7\r\n 22 1 4 3007.55 1046.74 4\r\n -22 1 -4 2889.46 991.449 6\r\n -22 -1 4 950.189 688.253 2\r\n -22 -2 -3-623.840 1630.86 3\r\n 22 2 -3-257.561 937.851 7\r\n 22 -2 3 70.7048 1165.86 4\r\n -22 2 3 1259.30 1145.70 2\r\n -22 -2 -3 1714.31 938.087 6\r\n -22 2 3 2139.03 990.505 6\r\n -22 2 2-1759.56 1371.72 2\r\n 22 2 -2-339.898 1028.07 7\r\n 22 -2 2-607.388 946.988 4\r\n -22 -2 -2 317.641 740.614 2\r\n -22 2 2 1799.56 902.143 6\r\n -22 -2 -2-1374.45 918.119 6\r\n 22 2 -2 1230.26 1029.09 4\r\n 22 -2 1 1545.17 510.298 7\r\n 22 2 -1 871.797 955.475 7\r\n 22 -2 1 1004.03 858.876 4\r\n -22 -2 -1 306.554 720.214 2\r\n -22 2 1 1346.31 1141.12 6\r\n 22 2 -1 1376.24 989.511 4\r\n 22 -2 0 863.875 477.924 7\r\n 22 -2 0 583.242 855.695 4\r\n -22 2 0-1422.84 1121.09 6\r\n 22 2 0 1506.49 1112.68 4\r\n -22 -2 0 831.662 861.376 2\r\n 22 -2 -1 1538.51 651.703 7\r\n 22 -2 -1 984.233 743.828 4\r\n -22 2 -1 1142.56 634.589 6\r\n 22 2 1 2150.12 1207.13 4\r\n -22 -2 1 957.110 829.483 2\r\n -22 2 -2 477.086 1396.49 3\r\n 22 -2 -2 39.0130 624.961 7\r\n -22 2 -2-77.6586 673.010 6\r\n 22 2 2-9.67614 1113.45 4\r\n 22 -2 -2 118.859 505.868 4\r\n -22 -2 2 548.975 901.145 2\r\n -22 2 -3-1196.93 1338.44 3\r\n 22 -2 -3 26.1283 622.751 5\r\n 22 -2 -3-477.761 739.116 7\r\n -22 2 -3 492.706 1126.34 6\r\n 22 2 3 1974.30 1204.63 4\r\n 22 -2 -3 1981.20 1046.23 4\r\n -22 -2 3 1214.98 1166.64 2\r\n -22 -3 -3 2295.32 1568.93 3\r\n 22 3 -3 2922.04 1010.70 7\r\n 22 -3 3 2071.79 1011.75 4\r\n -22 3 3 4303.19 1452.65 6\r\n 22 3 -2 700.095 765.704 7\r\n 22 -3 2 168.719 983.484 4\r\n -22 -3 -2-154.238 809.907 2\r\n -22 3 2-29.8201 1185.47 6\r\n 22 3 -2-60.0408 849.290 4\r\n 22 3 -1 29.3460 900.859 7\r\n 22 -3 1-122.579 729.972 4\r\n -22 3 1-1656.16 1169.61 6\r\n -22 -3 -1 432.679 781.457 2\r\n 22 3 -1 532.919 1008.57 4\r\n 22 -3 0-409.342 783.093 4\r\n -22 3 0 839.050 539.311 6\r\n 22 3 0-1622.20 1175.33 4\r\n -22 -3 0-1097.49 814.990 2\r\n -22 -3 1 704.611 1118.72 2\r\n 22 -3 -1-2392.53 1141.36 4\r\n -22 3 -1-1267.97 993.984 6\r\n 22 3 1-1429.32 1142.02 4\r\n -22 -3 2 203.323 1076.63 2\r\n -22 3 -2 746.722 897.770 3\r\n -22 3 -2 356.841 491.946 6\r\n 22 3 2 1634.10 1111.67 4\r\n 22 -3 -2 837.557 626.909 4\r\n -22 -3 3 213.016 952.758 2\r\n -22 3 -3 2685.78 1424.70 3\r\n 22 -3 -3 3563.62 948.814 5\r\n -22 3 -3 2021.50 1110.37 6\r\n 22 3 3 777.601 1068.02 4\r\n 22 4 -2 38.0330 994.747 7\r\n 22 -4 2-522.700 1357.78 4\r\n -22 4 2-37.6055 930.936 6\r\n 22 4 -2 1040.43 1067.17 4\r\n 22 4 -1 258.699 873.154 7\r\n 22 -4 1-77.6776 1059.52 4\r\n -22 4 1 594.944 675.404 6\r\n 22 4 -1 147.600 978.052 4\r\n -22 -4 -1-2088.53 1042.84 2\r\n -22 -4 0-1631.94 1146.28 2\r\n 22 -4 0 166.930 395.498 4\r\n -22 4 0 384.145 744.909 6\r\n 22 4 0 716.968 1013.00 4\r\n -22 -4 1-753.505 842.955 2\r\n -22 4 -1-415.507 1474.30 3\r\n 22 -4 -1 617.643 908.610 4\r\n -22 4 -1 790.507 1215.81 6\r\n 22 4 1 2217.10 1261.04 4\r\n -22 -4 2 3579.90 1133.38 2\r\n -22 4 -2 1711.93 1403.70 3\r\n -22 4 -2 1320.06 1135.18 6\r\n 22 4 2 1321.67 1301.53 4\r\n -22 -5 -1-1321.37 936.405 2\r\n 22 5 -1 2999.75 1147.35 7\r\n 22 -5 1 956.586 956.618 4\r\n -22 5 1 2537.56 1279.03 6\r\n 22 5 -1-159.388 1251.50 4\r\n -22 -5 0-1311.09 976.562 2\r\n 22 -5 0-1912.41 1168.61 4\r\n -22 5 0-1088.43 998.953 6\r\n 22 5 0-1962.79 1496.57 4\r\n -22 5 -1-1282.29 906.915 3\r\n -22 -5 1-628.650 770.108 2\r\n -22 5 -1 1936.23 786.808 6\r\n 22 5 1 2117.82 1255.69 4\r\n 23 0 0 425.628 668.496 7\r\n -23 0 0 464.535 622.669 2\r\n 23 0 0 405.996 682.953 4\r\n -23 0 0 696.522 854.444 6\r\n 23 0 -1 897.154 656.772 7\r\n 23 0 1 931.073 1193.91 4\r\n -23 0 1 911.066 1026.87 2\r\n -23 0 -1 769.139 812.498 6\r\n 23 0 -1 678.257 948.326 4\r\n 23 0 -2-1479.60 882.470 7\r\n 23 0 2-1398.49 1404.01 4\r\n -23 0 -2-1263.77 977.046 6\r\n -23 0 2-149.771 1145.09 2\r\n 23 0 -2-125.118 657.758 4\r\n -23 0 -3 4632.54 2077.94 3\r\n 23 0 -3 4654.40 1312.52 7\r\n 23 0 3 4661.16 1617.60 4\r\n -23 0 -3 2331.99 1255.67 6\r\n -23 0 3 1446.80 1390.19 2\r\n 23 0 -3 6713.01 1550.35 4\r\n -23 -1 -3 1186.64 1574.45 3\r\n 23 1 -3 1075.52 1157.11 7\r\n 23 -1 3 308.502 1001.35 4\r\n -23 1 3-813.225 1110.35 2\r\n -23 -1 -3 2046.77 806.119 6\r\n -23 1 3 1811.18 952.998 6\r\n 23 1 -3 889.175 1009.30 4\r\n 23 1 -2-273.033 870.401 7\r\n 23 -1 2-38.4892 688.577 4\r\n -23 1 2 472.334 556.285 2\r\n -23 -1 -2 209.735 903.108 6\r\n -23 1 2 159.175 1324.62 6\r\n 23 1 -2 347.387 1245.19 4\r\n 23 1 -1 3675.54 1203.56 7\r\n 23 -1 1 4031.22 990.649 7\r\n -23 1 1 3075.96 1345.92 2\r\n -23 -1 -1 3809.50 1217.29 2\r\n 23 -1 1 2607.10 1388.33 4\r\n -23 1 1 1443.00 1238.80 6\r\n -23 -1 -1 2938.29 1175.00 6\r\n 23 1 -1 3173.08 1335.03 4\r\n 23 -1 0 530.072 535.556 7\r\n 23 1 0-24.3133 468.166 7\r\n 23 -1 0 153.639 706.666 4\r\n -23 -1 0 303.710 618.912 2\r\n 23 1 0-297.228 1032.46 4\r\n -23 1 0-176.498 1098.97 6\r\n 23 -1 -1 3734.95 1099.00 7\r\n 23 1 1 3447.95 1347.00 4\r\n -23 1 -1 3865.57 1316.42 6\r\n 23 -1 -1 3527.48 1329.77 4\r\n -23 -1 1 4974.10 1481.16 2\r\n 23 -1 -2-634.787 706.925 7\r\n 23 1 2 893.336 1181.32 4\r\n -23 1 -2-2318.42 1289.18 6\r\n 23 -1 -2-558.095 782.167 4\r\n -23 -1 2-194.940 970.577 2\r\n -23 1 -2 958.104 1014.81 3\r\n -23 1 -3 1883.84 1736.61 3\r\n 23 -1 -3-1528.46 626.378 5\r\n 23 -1 -3 859.339 892.333 7\r\n 23 1 3 2332.91 1384.70 4\r\n -23 1 -3 3133.89 1227.52 6\r\n -23 -1 3 1750.43 1036.42 2\r\n 23 -1 -3 102.828 876.811 4\r\n -23 -2 -3 1813.37 1447.83 3\r\n 23 2 -3 578.602 1026.03 7\r\n 23 -2 3 1720.26 1057.25 4\r\n -23 2 3-314.810 672.943 2\r\n -23 -2 -3 251.684 294.281 6\r\n -23 2 3-1564.69 1142.04 6\r\n 23 2 -2 2392.17 1187.21 7\r\n 23 -2 2 3284.04 1292.36 4\r\n -23 -2 -2 3469.12 1136.66 2\r\n -23 2 2 4215.67 1844.38 6\r\n -23 -2 -2 3686.68 1190.49 6\r\n 23 2 -2 727.627 989.043 4\r\n 23 2 -1-47.0158 887.936 7\r\n 23 -2 1 2141.60 768.279 4\r\n -23 -2 -1 234.533 718.049 2\r\n -23 2 1 241.013 1031.58 6\r\n 23 2 -1-119.165 718.348 4\r\n 23 -2 0-29.4875 1032.23 4\r\n -23 2 0 594.775 1215.33 6\r\n 23 2 0-308.487 1298.70 4\r\n -23 -2 0 1754.90 1111.46 2\r\n 23 -2 -1 1490.39 493.736 7\r\n 23 -2 -1 1040.87 773.615 4\r\n 23 2 1 1427.10 948.855 4\r\n -23 -2 1 712.988 467.513 2\r\n -23 2 -2 3147.59 1781.05 3\r\n 23 -2 -2 5326.38 1095.99 7\r\n -23 2 -2 2303.12 1384.98 6\r\n 23 2 2 3181.00 1480.77 4\r\n 23 -2 -2 1749.48 1053.50 4\r\n -23 -2 2 4001.05 1391.84 2\r\n -23 2 -3 58.8408 1439.59 3\r\n 23 -2 -3 135.985 775.340 5\r\n 23 -2 -3 834.769 616.802 7\r\n -23 2 -3 759.294 547.249 6\r\n 23 2 3-348.225 1294.61 4\r\n 23 -2 -3-230.265 1098.14 4\r\n -23 -2 3 1525.51 736.901 2\r\n 23 3 -2 252.006 1316.40 7\r\n 23 -3 2 2350.41 1203.70 4\r\n -23 3 2 4333.82 1541.46 6\r\n 23 3 -2 4131.38 1310.89 4\r\n 23 3 -1 2459.56 1124.77 7\r\n 23 -3 1 3734.55 1181.81 4\r\n -23 3 1 1613.94 1421.88 6\r\n -23 -3 -1 2102.71 1223.95 2\r\n 23 3 -1 3056.98 1535.11 4\r\n 23 -3 0 2992.66 1204.11 4\r\n -23 3 0 2541.76 1086.86 6\r\n 23 3 0-416.516 1253.05 4\r\n -23 -3 0 1437.38 1073.23 2\r\n -23 3 -1 2945.06 1385.25 6\r\n 23 -3 -1 3215.77 1226.23 4\r\n 23 3 1 3343.68 1636.47 4\r\n -23 -3 1 6565.21 1452.40 2\r\n -23 -3 2 3078.15 1572.79 2\r\n -23 3 -2 2912.95 1784.36 3\r\n -23 3 -2 752.808 1100.04 6\r\n 23 3 2 2179.33 1316.00 4\r\n 23 -3 -2 2101.13 1031.39 4\r\n 23 4 -2 1264.65 833.778 7\r\n 23 -4 2 1860.84 828.187 4\r\n -23 4 2 780.041 642.617 6\r\n 23 4 -2 1032.39 1204.94 4\r\n 23 4 -1 363.626 977.114 7\r\n 23 -4 1 2818.76 1082.95 4\r\n -23 4 1 2305.66 1184.86 6\r\n -23 -4 -1-24.4480 308.686 2\r\n 23 4 -1 1750.30 1236.77 4\r\n -23 -4 0-97.3684 669.813 2\r\n 23 -4 0-605.785 828.281 4\r\n -23 4 0-930.190 1175.01 6\r\n 23 4 0-1552.62 1215.54 4\r\n -23 -4 1 956.525 731.592 2\r\n -23 4 -1-504.867 1914.93 3\r\n -23 4 -1 497.978 517.060 6\r\n 23 -4 -1 269.008 449.280 4\r\n 23 4 1 1173.18 1253.67 4\r\n -23 -4 2-1455.04 1169.54 2\r\n -23 4 -2-2039.16 1346.01 3\r\n -23 4 -2 721.653 539.593 6\r\n 23 4 2 721.205 1424.55 4\r\n 24 0 0 810.752 785.540 7\r\n -24 0 0-1892.05 1240.84 2\r\n 24 0 0 482.207 1013.67 4\r\n -24 0 0 1801.88 1042.34 6\r\n 24 0 -1 10025.9 1587.39 7\r\n 24 0 1 9820.84 1926.40 4\r\n -24 0 1 10757.8 1973.62 2\r\n -24 0 -1 7747.19 1928.57 6\r\n 24 0 -1 10825.0 2041.07 4\r\n -24 0 1 9524.86 2092.87 6\r\n 24 0 -2 3783.49 1283.16 7\r\n 24 0 2 2479.70 1231.23 4\r\n -24 0 2 5042.92 1679.47 2\r\n -24 0 -2 6242.84 1785.29 6\r\n 24 0 -2 7104.41 1673.04 4\r\n -24 0 -3-763.250 1754.22 3\r\n 24 0 -3 4903.85 1453.55 7\r\n 24 0 3 3957.84 1635.54 4\r\n -24 0 -3 2024.29 1268.57 6\r\n -24 0 3 4685.51 1727.36 2\r\n 24 0 -3 3808.25 1263.55 4\r\n -24 -1 -3 2534.23 1362.64 3\r\n 24 1 -3-221.769 769.418 7\r\n 24 -1 3 1024.92 1086.90 4\r\n -24 1 3-740.488 900.402 2\r\n -24 -1 -3-3059.28 1333.37 6\r\n -24 1 3-48.0706 389.432 6\r\n 24 1 -3 2218.98 1433.62 4\r\n 24 1 -2 3218.56 1124.13 7\r\n 24 -1 2 1941.22 1211.15 4\r\n -24 1 2 674.626 1190.44 2\r\n -24 -1 -2 4409.98 1442.87 6\r\n -24 1 2 4380.93 1665.37 6\r\n 24 1 -2 1841.77 1211.51 4\r\n 24 1 -1 2411.23 796.212 7\r\n 24 -1 1 420.034 401.430 7\r\n -24 1 1 1076.48 843.699 2\r\n -24 -1 -1-921.312 1020.40 2\r\n 24 -1 1 1239.51 1103.51 4\r\n -24 1 1 4004.32 1297.42 6\r\n -24 -1 -1-2218.76 1104.17 6\r\n 24 1 -1-649.983 660.710 4\r\n 24 -1 0 143.651 562.683 7\r\n 24 1 0 97.3935 624.166 7\r\n 24 -1 0 1208.67 1039.96 4\r\n -24 -1 0 994.036 830.939 2\r\n 24 1 0 300.627 1068.24 4\r\n -24 1 0-1584.74 1326.78 6\r\n 24 -1 -1-789.659 686.736 7\r\n 24 1 1-621.843 1381.20 4\r\n -24 1 -1 323.960 554.817 6\r\n 24 -1 -1 119.391 960.915 4\r\n -24 -1 1 547.740 861.594 2\r\n 24 -1 -2 3498.85 1041.31 7\r\n 24 1 2 1420.29 1442.75 4\r\n -24 1 -2 1605.76 1063.30 6\r\n -24 -1 2 1103.80 1428.68 2\r\n 24 -1 -2 2651.51 1189.56 4\r\n -24 1 -2 4712.65 1694.07 3\r\n -24 1 -3 2486.09 1360.48 3\r\n 24 -1 -3 1254.49 594.330 5\r\n 24 -1 -3 1943.84 1220.00 7\r\n 24 1 3 787.183 1207.72 4\r\n -24 1 -3 413.055 1118.85 6\r\n -24 -1 3-1016.73 1151.56 2\r\n 24 -1 -3 1363.87 946.010 4\r\n -24 -2 -2-405.646 706.333 2\r\n 24 2 -2-617.820 821.112 7\r\n 24 -2 2-30.5892 896.156 4\r\n -24 2 2 792.625 678.279 6\r\n -24 -2 -2-241.088 688.263 6\r\n 24 2 -2 1622.07 992.318 4\r\n 24 2 -1 1897.11 1086.53 7\r\n 24 -2 1 3230.25 1293.02 4\r\n -24 -2 -1 4197.11 1088.24 2\r\n -24 2 1 1991.55 1381.02 6\r\n 24 2 -1 3498.52 1484.32 4\r\n 24 -2 0 3972.83 1534.15 4\r\n -24 2 0 5573.96 1735.88 6\r\n -24 -2 0 2531.87 1415.33 2\r\n 24 2 0 4700.95 1399.70 4\r\n -24 2 -1 6228.82 1659.60 6\r\n 24 -2 -1 1976.03 1077.68 4\r\n 24 2 1 2971.31 1415.88 4\r\n -24 -2 1 3902.05 1155.23 2\r\n -24 2 -2-4103.76 2082.39 3\r\n -24 2 -2-522.118 964.959 6\r\n 24 2 2-2235.43 1614.87 4\r\n 24 -2 -2-2278.40 1071.72 4\r\n -24 -2 2-1373.10 1151.66 2\r\n 24 3 -2 4.79142 1130.36 7\r\n 24 -3 2 1253.55 922.446 4\r\n -24 3 2 1300.72 1280.23 6\r\n -24 -3 -2-246.851 660.819 6\r\n 24 3 -2 2874.35 1341.96 4\r\n 24 3 -1-220.260 1115.23 7\r\n 24 -3 1-434.601 861.131 4\r\n -24 3 1-479.427 1228.81 6\r\n -24 -3 -1 3352.81 1090.61 2\r\n 24 3 -1 925.242 1155.36 4\r\n 24 -3 0-456.330 647.929 4\r\n -24 3 0 575.027 863.447 6\r\n 24 3 0-1942.85 1242.76 4\r\n -24 -3 0-1929.02 1212.58 2\r\n -24 3 -1 2564.12 1247.69 6\r\n 24 -3 -1 870.191 762.466 4\r\n 24 3 1-190.573 1147.35 4\r\n -24 -3 1-61.9132 503.041 2\r\n -24 3 -2-2785.54 1430.49 3\r\n -24 3 -2 483.527 881.084 6\r\n 24 3 2-175.696 1291.38 4\r\n 24 -3 -2-1144.97 877.733 4\r\n -24 -3 2 1047.67 1226.59 2\r\n 24 -4 0 1979.39 1234.21 4\r\n -24 4 0 766.760 1240.53 6\r\n 24 4 0 1678.67 1596.15 4\r\n -24 -4 0 3311.35 1094.42 2\r\n 25 0 0-753.654 674.989 7\r\n -25 0 0 446.946 1004.96 2\r\n 25 0 0 1137.33 689.770 4\r\n -25 0 0-317.478 671.165 6\r\n 25 0 -1 2316.40 744.983 7\r\n -25 0 1 2085.75 1111.06 2\r\n 25 0 1 2045.63 1126.15 4\r\n -25 0 -1-519.726 1416.16 6\r\n -25 0 1-384.714 1194.69 6\r\n 25 0 -1-194.075 683.040 4\r\n 25 0 -2 1574.33 897.509 7\r\n 25 0 2 2155.85 1277.05 4\r\n -25 0 2 1674.24 986.641 2\r\n -25 0 -2 1790.24 1327.74 6\r\n 25 0 -2 3125.95 1444.31 4\r\n 25 1 -2 542.272 577.416 7\r\n -25 1 2 21.1153 950.071 2\r\n 25 -1 2-464.565 1212.32 4\r\n -25 -1 -2-1589.83 1202.23 6\r\n -25 1 2 2517.96 1196.83 6\r\n 25 1 -2 1015.49 1160.02 4\r\n -25 1 1 352.917 940.736 2\r\n 25 1 -1 1614.49 851.818 7\r\n -25 -1 -1 920.775 989.161 2\r\n 25 -1 1 524.926 1165.02 4\r\n -25 1 1 4584.27 1504.36 6\r\n -25 -1 -1 1229.15 977.822 6\r\n 25 1 -1 2577.57 1006.89 4\r\n 25 1 0-650.967 706.413 7\r\n -25 -1 0-690.250 798.017 2\r\n 25 -1 0 316.564 932.520 4\r\n -25 1 0 1840.23 1267.36 6\r\n 25 1 0-350.208 1262.34 4\r\n -25 -1 0 84.7675 1073.15 6\r\n 25 -1 -1 1047.77 892.942 7\r\n 25 1 1 2110.96 1297.93 4\r\n -25 1 -1 625.072 1072.71 6\r\n -25 -1 1-715.270 1270.01 2\r\n 25 -1 -1-1569.87 1649.02 4\r\n 25 -1 -2 1276.78 652.023 7\r\n 25 1 2 338.863 845.288 4\r\n -25 1 -2 559.420 1208.00 6\r\n -25 -1 2-2408.46 1405.24 2\r\n 25 -1 -2 1469.25 1040.08 4\r\n -25 1 -2-2294.25 1709.87 3\r\n 25 2 -1-1260.98 868.612 7\r\n 25 -2 1 2507.23 1119.54 4\r\n -25 -2 -1 3050.14 863.837 2\r\n -25 2 1 2618.28 1365.58 6\r\n -25 -2 -1 1000.29 756.601 6\r\n 25 2 -1 2289.10 1344.10 4\r\n 25 2 0 212.285 671.782 7\r\n 25 -2 0 968.171 967.722 4\r\n -25 2 0 422.010 484.941 6\r\n 25 2 0-184.243 939.809 4\r\n -25 2 -1 3997.17 1340.14 6\r\n 25 -2 -1 134.945 842.893 4\r\n 25 2 1 1824.22 1316.74 4\r\n -25 -2 1 1811.90 1008.79 2\r\n 25 -3 0-173.252 1208.25 4\r\n -25 3 0-983.789 1535.07 6\r\n 25 3 0-937.674 1729.89 4\r\n -25 -3 0 2087.53 1056.68 2\r\n -26 0 0 2748.76 1109.53 2\r\n 26 0 0 3181.49 997.010 7\r\n 26 0 0 1057.47 1028.08 4\r\n -26 0 0 4597.66 1631.72 6\r\n 26 0 -1 2061.68 1094.34 7\r\n 26 0 1 2056.43 815.460 7\r\n -26 0 1 3619.12 1204.38 2\r\n 26 0 1 2884.10 1409.94 4\r\n -26 0 -1 1549.27 1339.45 6\r\n -26 0 1 1308.48 1090.40 6\r\n 26 0 -1 3036.81 1194.05 4\r\n -26 -1 -1 663.278 1176.77 2\r\n 26 1 -1 1231.52 928.474 7\r\n 26 -1 1 1044.88 817.205 4\r\n -26 1 1 1028.04 1218.45 6\r\n -26 -1 -1 1737.14 1133.54 6\r\n 26 1 -1 2230.28 1328.23 4\r\n 26 1 0-598.694 1117.09 7\r\n -26 -1 0 2335.90 1060.67 2\r\n 26 -1 0 2962.50 916.814 4\r\n -26 1 0 1086.88 944.971 6\r\n 26 1 0-1151.24 1310.86 4\r\n -26 -1 0 909.743 1192.59 6\r\n -26 -1 1 1833.51 1151.73 2\r\n 26 1 1 3697.39 1229.16 4\r\n -26 1 -1 1098.80 930.025 6\r\n 26 -1 -1 2211.39 910.116 4\r\n 0 0 0 0.00 0.00 0\r\nTITL BIM-IV-R_MO in P2(1)2(1)2\r\nREM P2(1)2(1)2 (#18, found as P22(1)2(1) in -cba setting)\r\nCELL 0.71073 21.115285 7.784572 6.134271 90.0000 90.0000 90.0000\r\nZERR 2.00 0.001561 0.000638 0.000451 0.0000 0.0000 0.0000\r\nLATT -1\r\nSYMM -x,-y, z\r\nSYMM -x+1/2, y+1/2,-z\r\nSYMM x+1/2,-y+1/2,-z\r\nSFAC C H N F S\r\nUNIT 44.00 40.00 4.00 4.00 2.00\r\nTREF\r\nHKLF 4\r\nEND\r\n;\r\n_shelx_hkl_checksum 56706\r\n" }, { "path": "pyxtal/database/cifs/LUFHAW.cif", "content": "####################################################################### \n# \n# This file contains crystal structure data downloaded from the \n# Cambridge Structural Database (CSD) hosted by the Cambridge \n# Crystallographic Data Centre (CCDC).\n# \n# Full information about CCDC data access policies and citation \n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \n# \n# Audit and citation data items may have been added by the CCDC. \n# Please retain this information to preserve the provenance of \n# this file and to allow appropriate attribution of the data. \n# \n#######################################################################\n\ndata_mw062\n_audit_block_doi 10.5517/cct0g6g\n_database_code_depnum_ccdc_archive 'CCDC 745215'\nloop_\n_citation_id\n_citation_doi\n_citation_year\n1 10.1021/jo900590u 2009\n_audit_update_record \n;\n2009-08-24 deposited with the CCDC. 2020-08-14 downloaded from the CCDC.\n;\n\n_audit_creation_method SHELXL-97\n_chemical_name_systematic \n;\n?\n;\n_chemical_name_common ?\n_chemical_melting_point ?\n_chemical_formula_moiety ?\n_chemical_formula_sum 'C20 H14 S2'\n_chemical_formula_weight 318.43\n\nloop_\n_atom_type_symbol\n_atom_type_description\n_atom_type_scat_dispersion_real\n_atom_type_scat_dispersion_imag\n_atom_type_scat_source\nC C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\nH H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\nS S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\n\n_symmetry_cell_setting monoclinic\n_symmetry_space_group_name_H-M 'P 21/n'\n\nloop_\n_symmetry_equiv_pos_as_xyz\n'x, y, z'\n'-x+1/2, y+1/2, -z+1/2'\n'-x, -y, -z'\n'x+1/2, -y+1/2, z+1/2'\n\n_cell_length_a 8.5007(15)\n_cell_length_b 5.7259(9)\n_cell_length_c 15.333(2)\n_cell_angle_alpha 90.000(5)\n_cell_angle_beta 96.413(9)\n_cell_angle_gamma 90.000(5)\n_cell_volume 741.7(2)\n_cell_formula_units_Z 2\n_cell_measurement_temperature 173(2)\n_cell_measurement_reflns_used 2036\n_cell_measurement_theta_min 2.62\n_cell_measurement_theta_max 27.46\n\n_exptl_crystal_description plate\n_exptl_crystal_colour yellow\n_exptl_crystal_size_max 0.50\n_exptl_crystal_size_mid 0.35\n_exptl_crystal_size_min 0.03\n_exptl_crystal_density_meas ?\n_exptl_crystal_density_diffrn 1.426\n_exptl_crystal_density_method 'not measured'\n_exptl_crystal_F_000 332\n_exptl_absorpt_coefficient_mu 0.351\n_exptl_absorpt_correction_type multi-scan\n_exptl_absorpt_correction_T_min 0.704\n_exptl_absorpt_correction_T_max 0.990\n_exptl_absorpt_process_details ?\n\n_exptl_special_details \n;\n?\n;\n\n_diffrn_ambient_temperature 173(2)\n_diffrn_radiation_wavelength 0.71069\n_diffrn_radiation_type MoK\\a\n_diffrn_radiation_source 'fine-focus sealed tube'\n_diffrn_radiation_monochromator graphite\n_diffrn_measurement_device_type 'Bruker X8 APEX II'\n_diffrn_measurement_method 'area detector'\n_diffrn_detector_area_resol_mean ?\n_diffrn_standards_number ?\n_diffrn_standards_interval_count ?\n_diffrn_standards_interval_time ?\n_diffrn_standards_decay_% ?\n_diffrn_reflns_number 7417\n_diffrn_reflns_av_R_equivalents 0.0368\n_diffrn_reflns_av_sigmaI/netI 0.0369\n_diffrn_reflns_limit_h_min -11\n_diffrn_reflns_limit_h_max 11\n_diffrn_reflns_limit_k_min -7\n_diffrn_reflns_limit_k_max 7\n_diffrn_reflns_limit_l_min -20\n_diffrn_reflns_limit_l_max 20\n_diffrn_reflns_theta_min 2.62\n_diffrn_reflns_theta_max 27.96\n_reflns_number_total 1784\n_reflns_number_gt 1363\n_reflns_threshold_expression >2sigma(I)\n\n_computing_data_collection ?\n_computing_cell_refinement ?\n_computing_data_reduction ?\n_computing_structure_solution ?\n_computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)'\n_computing_molecular_graphics ?\n_computing_publication_material ?\n\n_refine_special_details \n;\nRefinement of F^2^ against ALL reflections. The weighted R-factor wR and\ngoodness of fit S are based on F^2^, conventional R-factors R are based\non F, with F set to zero for negative F^2^. The threshold expression of\nF^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is\nnot relevant to the choice of reflections for refinement. R-factors based\non F^2^ are statistically about twice as large as those based on F, and R-\nfactors based on ALL data will be even larger.\n;\n\n_refine_ls_structure_factor_coef Fsqd\n_refine_ls_matrix_type full\n_refine_ls_weighting_scheme calc\n_refine_ls_weighting_details \n'calc w=1/[\\s^2^(Fo^2^)+(0.0397P)^2^+0.5900P] where P=(Fo^2^+2Fc^2^)/3'\n_atom_sites_solution_primary direct\n_atom_sites_solution_secondary difmap\n_atom_sites_solution_hydrogens geom\n_refine_ls_hydrogen_treatment constr\n_refine_ls_extinction_method none\n_refine_ls_extinction_coef ?\n_refine_ls_number_reflns 1784\n_refine_ls_number_parameters 100\n_refine_ls_number_restraints 0\n_refine_ls_R_factor_all 0.0604\n_refine_ls_R_factor_gt 0.0397\n_refine_ls_wR_factor_ref 0.1001\n_refine_ls_wR_factor_gt 0.0900\n_refine_ls_goodness_of_fit_ref 1.025\n_refine_ls_restrained_S_all 1.025\n_refine_ls_shift/su_max 0.000\n_refine_ls_shift/su_mean 0.000\n\nloop_\n_atom_site_label\n_atom_site_type_symbol\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\n_atom_site_U_iso_or_equiv\n_atom_site_adp_type\n_atom_site_occupancy\n_atom_site_symmetry_multiplicity\n_atom_site_calc_flag\n_atom_site_refinement_flags\n_atom_site_disorder_assembly\n_atom_site_disorder_group\nC1 C 1.0308(2) 0.4781(4) 0.71684(13) 0.0273(5) Uani 1 1 d . . .\nC2 C 1.1287(2) 0.3848(4) 0.78330(12) 0.0262(4) Uani 1 1 d . . .\nH2 H 1.1876 0.2456 0.7777 0.031 Uiso 1 1 calc R . .\nC3 C 1.1346(2) 0.5166(4) 0.86280(12) 0.0230(4) Uani 1 1 d . . .\nC4 C 1.0384(2) 0.7120(3) 0.85382(11) 0.0211(4) Uani 1 1 d . . .\nC5 C 1.2205(2) 0.4675(4) 0.94579(12) 0.0250(4) Uani 1 1 d . . .\nH5 H 1.2888 0.3359 0.9524 0.030 Uiso 1 1 calc R . .\nC6 C 1.2053(2) 0.6077(4) 1.01543(12) 0.0239(4) Uani 1 1 d . . .\nH6 H 1.2635 0.5721 1.0704 0.029 Uiso 1 1 calc R . .\nC7 C 1.1045(2) 0.8068(3) 1.00861(11) 0.0203(4) Uani 1 1 d . . .\nC8 C 1.0182(2) 0.8637(3) 0.92561(11) 0.0200(4) Uani 1 1 d . . .\nC9 C 0.9171(2) 1.0545(3) 0.91918(11) 0.0211(4) Uani 1 1 d . . .\nH9 H 0.8610 1.0917 0.8638 0.025 Uiso 1 1 calc R . .\nC10 C 0.9959(3) 0.3910(5) 0.62466(13) 0.0382(6) Uani 1 1 d . . .\nH10A H 0.9202 0.4960 0.5916 0.057 Uiso 1 1 calc PR . .\nH10B H 0.9507 0.2337 0.6253 0.057 Uiso 1 1 calc PR . .\nH10C H 1.0941 0.3863 0.5967 0.057 Uiso 1 1 calc PR . .\nS1 S 0.94261(6) 0.73226(9) 0.74878(3) 0.02655(16) Uani 1 1 d . . .\n\n" }, { "path": "pyxtal/database/cifs/LiCs.cif", "content": "#############################################################\n# ______ _ _ _ \t #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | \t #\n# | ____/ | | | ) (| _)/ _ | | \t #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 0.1.6)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at University of Nevada Las Vegas #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Pc'\n_symmetry_Int_Tables_number 7\n_symmetry_cell_setting monoclinic\n_cell_length_a 4.805546\n_cell_length_b 6.765981\n_cell_length_c 8.043214\n_cell_angle_alpha 90.000000\n_cell_angle_beta 151.317203\n_cell_angle_gamma 90.000000\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 'x, -y, z+1/2'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nCs Cs 2 0.055653 0.477892 0.612204 1\nCs Cs 2 0.073133 0.026548 0.428173 1\nLi Li 2 0.446473 0.882359 0.525852 1\nLi Li 2 0.479772 0.575346 0.968157 1\nCs Cs 2 0.623667 0.263436 0.942333 1\nCs Cs 2 0.624587 0.232741 0.725793 1\nLi Li 2 0.196982 0.376045 -0.009698 1\nCs Cs 2 0.201161 0.133393 0.211244 1\nLi Li 2 0.812269 0.821504 0.018980 1\nLi Li 2 0.795451 0.652229 0.806644 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/MERQIM.cif", "content": "####################################################################### \r\n# \r\n# This file contains crystal structure data downloaded from the \r\n# Cambridge Structural Database (CSD) hosted by the Cambridge \r\n# Crystallographic Data Centre (CCDC).\r\n# \r\n# Full information about CCDC data access policies and citation \r\n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \r\n# \r\n# Audit and citation data items may have been added by the CCDC. \r\n# Please retain this information to preserve the provenance of \r\n# this file and to allow appropriate attribution of the data. \r\n# \r\n#######################################################################\r\n\r\ndata_150907\r\n_audit_block_doi 10.5517/ccdc.csd.cc1q83gk\r\n_database_code_depnum_ccdc_archive 'CCDC 1586718'\r\nloop_\r\n_citation_id\r\n_citation_doi\r\n_citation_year\r\n1 10.1039/C7TC05317G 2018\r\n_audit_update_record \r\n;\r\n2017-11-20 deposited with the CCDC.\t2020-08-14 downloaded from the CCDC.\r\n;\r\n\r\n#==============================================================================\r\n# CHEMICAL DATA\r\n\r\n_chemical_formula_sum 'C16 H14 S4'\r\n_chemical_formula_moiety 'C16 H14 S4'\r\n_chemical_formula_weight 334.53\r\n_chemical_melting_point ?\r\n\r\n#==============================================================================\r\n# CRYSTAL DATA\r\n_space_group_crystal_system monoclinic\r\n_space_group_name_H-M_alt 'P 1 21/a 1'\r\n_space_group_name_Hall '-P 2yab'\r\n_space_group_IT_number 14\r\nloop_\r\n_space_group_symop_id\r\n_space_group_symop_operation_xyz\r\n1 +X,+Y,+Z\r\n2 1/2-X,1/2+Y,-Z\r\n3 -X,-Y,-Z\r\n4 -1/2+X,-1/2-Y,+Z\r\n#------------------------------------------------------------------------------\r\n_cell_length_a 8.7379(2)\r\n_cell_length_b 6.35286(10)\r\n_cell_length_c 13.4028(3)\r\n_cell_angle_alpha 90.0000\r\n_cell_angle_beta 90.3908(10)\r\n_cell_angle_gamma 90.0000\r\n_cell_volume 743.98(3)\r\n_cell_formula_units_Z 2\r\n_cell_measurement_reflns_used 8460\r\n_cell_measurement_theta_min 3.30\r\n_cell_measurement_theta_max 68.25\r\n_cell_measurement_temperature 100\r\n#------------------------------------------------------------------------------\r\n_exptl_crystal_description platelet\r\n_exptl_crystal_colour yellow\r\n_exptl_crystal_size_max 0.500\r\n_exptl_crystal_size_mid 0.300\r\n_exptl_crystal_size_min 0.100\r\n_exptl_crystal_density_diffrn 1.493\r\n_exptl_crystal_density_meas ?\r\n_exptl_crystal_density_method 'not measured'\r\n_exptl_crystal_F_000 348.00\r\n_exptl_absorpt_coefficient_mu 5.730\r\n_exptl_absorpt_correction_type multi-scan\r\n_exptl_absorpt_process_details 'ABSCOR (Rigaku, 1995)'\r\n_exptl_absorpt_correction_T_min 0.414\r\n_exptl_absorpt_correction_T_max 0.564\r\n\r\n#==============================================================================\r\n# EXPERIMENTAL DATA\r\n\r\n_diffrn_ambient_temperature 100\r\n_diffrn_radiation_type 'Cu K\\a'\r\n_diffrn_radiation_wavelength 1.54187\r\n_diffrn_measurement_device_type 'Rigaku R-AXIS RAPID'\r\n_diffrn_measurement_method \\w\r\n_diffrn_detector_area_resol_mean 10.000\r\n_diffrn_reflns_number 12646\r\n_diffrn_reflns_av_R_equivalents 0.0838\r\n_diffrn_reflns_theta_max 68.252\r\n_diffrn_reflns_theta_min 3.298\r\n_diffrn_reflns_theta_full 67.687\r\n_diffrn_measured_fraction_theta_max 1.000\r\n_diffrn_measured_fraction_theta_full 1.000\r\n_diffrn_reflns_Laue_measured_fraction_max 1.000\r\n_diffrn_reflns_Laue_measured_fraction_full 1.000\r\n_diffrn_reflns_point_group_measured_fraction_max 1.000\r\n_diffrn_reflns_point_group_measured_fraction_full 1.000\r\n_diffrn_reflns_limit_h_min -10\r\n_diffrn_reflns_limit_h_max 10\r\n_diffrn_reflns_limit_k_min -7\r\n_diffrn_reflns_limit_k_max 7\r\n_diffrn_reflns_limit_l_min -16\r\n_diffrn_reflns_limit_l_max 16\r\n_diffrn_standards_number 0\r\n_diffrn_standards_interval_count .\r\n_diffrn_standards_decay_% ?\r\n_reflns_number_total 1362\r\n_reflns_number_gt 1222\r\n_reflns_threshold_expression F^2^>2.0\\s(F^2^)\r\n_reflns_Friedel_coverage 0.000\r\n_reflns_Friedel_fraction_max .\r\n_reflns_Friedel_fraction_full .\r\n\r\n#==============================================================================\r\n# REFINEMENT DATA\r\n\r\n_refine_special_details \r\n;\r\n Refinement was performed using all reflections. The weighted \r\n R-factor (wR) and goodness of fit (S) are based on F^2^.\r\n R-factor (gt) are based on F. The threshold expression of\r\n F^2^ > 2.0 sigma(F^2^) is used only for calculating R-factor (gt).\r\n;\r\n_refine_ls_structure_factor_coef Fsqd\r\n_refine_ls_R_factor_all 0.0423\r\n_refine_ls_R_factor_gt 0.0389\r\n_refine_ls_wR_factor_ref 0.1152\r\n_refine_ls_wR_factor_gt 0.1106\r\n_refine_ls_number_restraints 0\r\n_refine_ls_hydrogen_treatment constr\r\n_refine_ls_number_reflns 1362\r\n_refine_ls_number_parameters 92\r\n_refine_ls_goodness_of_fit_ref 1.048\r\n_refine_ls_weighting_scheme calc\r\n_refine_ls_weighting_details \r\n'w = 1/[\\s^2^(Fo^2^)+(0.0718P)^2^+0.2191P] where P=(Fo^2^+2Fc^2^)/3'\r\n_atom_sites_solution_hydrogens geom\r\n_atom_sites_solution_primary direct\r\n_atom_sites_solution_secondary difmap\r\n_refine_ls_shift/su_max 0.000\r\n_refine_diff_density_max 0.49\r\n_refine_diff_density_min -0.32\r\n_refine_ls_extinction_method SHELXL\r\n_refine_ls_extinction_coef 0.0094(15)\r\n\r\nloop_\r\n_atom_type_symbol\r\n_atom_type_description\r\n_atom_type_scat_dispersion_real\r\n_atom_type_scat_dispersion_imag\r\n_atom_type_scat_source\r\nC C 0.0181 0.0091\r\n;\r\nInternational Tables for Crystallography\r\n(Vol. C, Tables 4.2.6.8 and 6.1.1.4)\r\n;\r\nH H 0.0000 0.0000\r\n;\r\nInternational Tables for Crystallography\r\n(Vol. C, Table 6.1.1.4)\r\n;\r\nS S 0.3331 0.5567\r\n;\r\nInternational Tables for Crystallography\r\n(Vol. C, Tables 4.2.6.8 and 6.1.1.4)\r\n;\r\n\r\n#==============================================================================\r\n# ATOMIC COORDINATES AND THERMAL PARAMETERS\r\n\r\nloop_\r\n_atom_site_label\r\n_atom_site_type_symbol\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_U_iso_or_equiv\r\n_atom_site_adp_type\r\n_atom_site_occupancy\r\n_atom_site_site_symmetry_order\r\n_atom_site_calc_flag\r\n_atom_site_refinement_flags_posn\r\n_atom_site_refinement_flags_adp\r\n_atom_site_refinement_flags_occupancy\r\n_atom_site_disorder_assembly\r\n_atom_site_disorder_group\r\nS1 S 0.56438(7) 0.23926(8) 0.19148(4) 0.0481(3) Uani 1 1 d . . . . .\r\nS2 S 0.42140(7) 0.38006(10) 0.38241(4) 0.0555(3) Uani 1 1 d . . . . .\r\nC1 C 0.3929(2) 0.5751(3) 0.19621(15) 0.0383(5) Uani 1 1 d . . . . .\r\nC2 C 0.4395(2) 0.5513(3) 0.09422(15) 0.0364(5) Uani 1 1 d . . . . .\r\nC3 C 0.5360(2) 0.3740(3) 0.07935(15) 0.0384(5) Uani 1 1 d . . . . .\r\nC4 C 0.5963(2) 0.3203(3) -0.01193(15) 0.0402(5) Uani 1 1 d . . . . .\r\nH4 H 0.6601 0.2002 -0.0190 0.048 Uiso 1 1 calc R U . . .\r\nC5 C 0.4496(2) 0.4183(3) 0.25505(15) 0.0412(5) Uani 1 1 d . . . . .\r\nC6 C 0.2935(3) 0.7496(3) 0.23379(17) 0.0473(6) Uani 1 1 d . . . . .\r\nH6A H 0.1865 0.7224 0.2128 0.057 Uiso 1 1 calc R U . . .\r\nH6B H 0.3262 0.8834 0.2026 0.057 Uiso 1 1 calc R U . . .\r\nC7 C 0.2991(4) 0.7742(4) 0.3462(2) 0.0669(8) Uani 1 1 d . . . . .\r\nH7A H 0.4001 0.8326 0.3655 0.080 Uiso 1 1 calc R U . . .\r\nH7B H 0.2201 0.8772 0.3663 0.080 Uiso 1 1 calc R U . . .\r\nC8 C 0.2740(4) 0.5744(5) 0.4020(2) 0.0675(8) Uani 1 1 d . . . . .\r\nH8A H 0.1742 0.5140 0.3815 0.081 Uiso 1 1 calc R U . . .\r\nH8B H 0.2686 0.6066 0.4742 0.081 Uiso 1 1 calc R U . . .\r\n\r\nloop_\r\n_atom_site_aniso_label\r\n_atom_site_aniso_U_11\r\n_atom_site_aniso_U_22\r\n_atom_site_aniso_U_33\r\n_atom_site_aniso_U_23\r\n_atom_site_aniso_U_13\r\n_atom_site_aniso_U_12\r\nS1 0.0563(4) 0.0450(4) 0.0431(4) 0.0091(2) 0.0033(3) 0.0141(2)\r\nS2 0.0659(5) 0.0603(4) 0.0403(4) 0.0075(2) 0.0075(3) 0.0071(3)\r\nC1 0.0337(10) 0.0389(10) 0.0423(11) -0.0006(8) 0.0014(8) -0.0025(8)\r\nC2 0.0334(10) 0.0351(10) 0.0406(11) 0.0010(8) 0.0003(8) -0.0001(8)\r\nC3 0.0399(11) 0.0349(10) 0.0403(11) 0.0037(8) -0.0005(8) 0.0033(8)\r\nC4 0.0393(11) 0.0362(10) 0.0450(11) 0.0019(9) 0.0010(8) 0.0068(8)\r\nC5 0.0420(11) 0.0425(11) 0.0390(11) 0.0015(8) 0.0031(9) -0.0018(9)\r\nC6 0.0492(13) 0.0447(12) 0.0482(13) -0.0028(9) 0.0062(10) 0.0050(9)\r\nC7 0.077(2) 0.0652(17) 0.0589(16) -0.0135(12) 0.0049(14) 0.0161(13)\r\nC8 0.0749(18) 0.0805(19) 0.0475(14) -0.0035(13) 0.0144(12) 0.0108(15)\r\n\r\n#==============================================================================\r\n_computing_data_collection 'RAPID AUTO (Rigaku, ????)'\r\n_computing_cell_refinement 'RAPID AUTO'\r\n_computing_data_reduction 'RAPID AUTO'\r\n_computing_structure_solution 'SIR2011 (Burla, et al., 2012)'\r\n_computing_structure_refinement 'SHELXL Version 2014/7 (Sheldrick, 2008)'\r\n_computing_publication_material 'CrystalStructure 4.2.1 (Rigaku, 2016)'\r\n_computing_molecular_graphics 'CrystalStructure 4.2.1'\r\n\r\n#==============================================================================\r\n# MOLECULAR GEOMETRY\r\n\r\n_geom_special_details \r\n;\r\n All esds (except the esd in the dihedral angle between two l.s. planes)\r\n are estimated using the full covariance matrix. The cell esds are taken\r\n into account individually in the estimation of esds in distances, angles\r\n and torsion angles; correlations between esds in cell parameters are only\r\n used when they are defined by crystal symmetry. An approximate (isotropic)\r\n treatment of cell esds is used for estimating esds involving l.s. planes.\r\n;\r\n\r\nloop_\r\n_geom_bond_atom_site_label_1\r\n_geom_bond_atom_site_label_2\r\n_geom_bond_distance\r\n_geom_bond_site_symmetry_2\r\n_geom_bond_publ_flag\r\nS1 C5 1.743(2) . ?\r\nS1 C3 1.746(2) . ?\r\nS2 C5 1.743(2) . ?\r\nS2 C8 1.804(3) . ?\r\nC1 C5 1.361(3) . ?\r\nC1 C2 1.437(3) . ?\r\nC1 C6 1.498(3) . ?\r\nC2 C4 1.405(3) 3_665 ?\r\nC2 C3 1.422(3) . ?\r\nC3 C4 1.378(3) . ?\r\nC4 C2 1.405(3) 3_665 ?\r\nC4 H4 0.9500 . ?\r\nC6 C7 1.515(4) . ?\r\nC6 H6A 0.9900 . ?\r\nC6 H6B 0.9900 . ?\r\nC7 C8 1.491(4) . ?\r\nC7 H7A 0.9900 . ?\r\nC7 H7B 0.9900 . ?\r\nC8 H8A 0.9900 . ?\r\nC8 H8B 0.9900 . ?\r\n\r\nloop_\r\n_geom_angle_atom_site_label_1\r\n_geom_angle_atom_site_label_2\r\n_geom_angle_atom_site_label_3\r\n_geom_angle\r\n_geom_angle_site_symmetry_1\r\n_geom_angle_site_symmetry_3\r\n_geom_angle_publ_flag\r\nC5 S1 C3 91.25(10) . . ?\r\nC5 S2 C8 98.81(12) . . ?\r\nC5 C1 C2 111.72(19) . . ?\r\nC5 C1 C6 123.8(2) . . ?\r\nC2 C1 C6 124.48(18) . . ?\r\nC4 C2 C3 118.61(19) 3_665 . ?\r\nC4 C2 C1 128.52(19) 3_665 . ?\r\nC3 C2 C1 112.86(17) . . ?\r\nC4 C3 C2 123.46(18) . . ?\r\nC4 C3 S1 126.13(16) . . ?\r\nC2 C3 S1 110.42(15) . . ?\r\nC3 C4 C2 117.93(19) . 3_665 ?\r\nC3 C4 H4 121.0 . . ?\r\nC2 C4 H4 121.0 3_665 . ?\r\nC1 C5 S1 113.73(17) . . ?\r\nC1 C5 S2 128.02(18) . . ?\r\nS1 C5 S2 118.25(12) . . ?\r\nC1 C6 C7 113.3(2) . . ?\r\nC1 C6 H6A 108.9 . . ?\r\nC7 C6 H6A 108.9 . . ?\r\nC1 C6 H6B 108.9 . . ?\r\nC7 C6 H6B 108.9 . . ?\r\nH6A C6 H6B 107.7 . . ?\r\nC8 C7 C6 114.1(2) . . ?\r\nC8 C7 H7A 108.7 . . ?\r\nC6 C7 H7A 108.7 . . ?\r\nC8 C7 H7B 108.7 . . ?\r\nC6 C7 H7B 108.7 . . ?\r\nH7A C7 H7B 107.6 . . ?\r\nC7 C8 S2 113.7(2) . . ?\r\nC7 C8 H8A 108.8 . . ?\r\nS2 C8 H8A 108.8 . . ?\r\nC7 C8 H8B 108.8 . . ?\r\nS2 C8 H8B 108.8 . . ?\r\nH8A C8 H8B 107.7 . . ?\r\n\r\nloop_\r\n_geom_torsion_atom_site_label_1\r\n_geom_torsion_atom_site_label_2\r\n_geom_torsion_atom_site_label_3\r\n_geom_torsion_atom_site_label_4\r\n_geom_torsion\r\n_geom_torsion_site_symmetry_1\r\n_geom_torsion_site_symmetry_2\r\n_geom_torsion_site_symmetry_3\r\n_geom_torsion_site_symmetry_4\r\n_geom_torsion_publ_flag\r\nC5 C1 C2 C4 179.6(2) . . . 3_665 ?\r\nC6 C1 C2 C4 -0.1(3) . . . 3_665 ?\r\nC5 C1 C2 C3 -1.4(2) . . . . ?\r\nC6 C1 C2 C3 178.94(19) . . . . ?\r\nC4 C2 C3 C4 -0.2(3) 3_665 . . . ?\r\nC1 C2 C3 C4 -179.33(19) . . . . ?\r\nC4 C2 C3 S1 179.94(15) 3_665 . . . ?\r\nC1 C2 C3 S1 0.8(2) . . . . ?\r\nC5 S1 C3 C4 -179.9(2) . . . . ?\r\nC5 S1 C3 C2 -0.05(15) . . . . ?\r\nC2 C3 C4 C2 0.2(3) . . . 3_665 ?\r\nS1 C3 C4 C2 -179.96(15) . . . 3_665 ?\r\nC2 C1 C5 S1 1.4(2) . . . . ?\r\nC6 C1 C5 S1 -178.97(17) . . . . ?\r\nC2 C1 C5 S2 -179.03(15) . . . . ?\r\nC6 C1 C5 S2 0.6(3) . . . . ?\r\nC3 S1 C5 C1 -0.77(17) . . . . ?\r\nC3 S1 C5 S2 179.58(13) . . . . ?\r\nC8 S2 C5 C1 9.7(2) . . . . ?\r\nC8 S2 C5 S1 -170.67(15) . . . . ?\r\nC5 C1 C6 C7 17.0(3) . . . . ?\r\nC2 C1 C6 C7 -163.4(2) . . . . ?\r\nC1 C6 C7 C8 -50.3(3) . . . . ?\r\nC6 C7 C8 S2 64.4(3) . . . . ?\r\nC5 S2 C8 C7 -39.9(2) . . . . ?\r\n\r\n" }, { "path": "pyxtal/database/cifs/MPWO.cif", "content": "# generated using pymatgen\ndata_MgPb2WO6\n_symmetry_space_group_name_H-M Pnma\n_cell_length_a 11.60754700\n_cell_length_b 8.05258500\n_cell_length_c 5.80099800\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 62\n_chemical_formula_structural MgPb2WO6\n_chemical_formula_sum 'Mg4 Pb8 W4 O24'\n_cell_volume 542.22368520\n_cell_formula_units_Z 4\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\n 2 '-x, -y, -z'\n 3 '-x+1/2, -y, z+1/2'\n 4 'x+1/2, y, -z+1/2'\n 5 'x+1/2, -y+1/2, -z+1/2'\n 6 '-x+1/2, y+1/2, z+1/2'\n 7 '-x, y+1/2, -z'\n 8 'x, -y+1/2, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Mg Mg0 4 0.12027800 0.75000000 0.25567000 1\n Pb Pb1 8 0.14533100 0.00529900 0.79126500 1\n W W2 4 0.11660700 0.25000000 0.25399000 1\n O O3 8 0.13389300 0.00834300 0.22913300 1\n O O4 4 0.00132300 0.25000000 0.01499000 1\n O O5 4 0.01026200 0.25000000 0.49539200 1\n O O6 4 0.23550300 0.25000000 0.97740000 1\n O O7 4 0.24854000 0.75000000 0.96264200 1\n" }, { "path": "pyxtal/database/cifs/NaCl.cif", "content": "#------------------------------------------------------------------------------\n#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $\n#$Revision: 130149 $\n#$URL: svn://www.crystallography.net/cod/cif/1/00/00/1000041.cif $\n#------------------------------------------------------------------------------\n#\n# This file is available in the Crystallography Open Database (COD),\n# http://www.crystallography.net/\n#\n# All data on this site have been placed in the public domain by the\n# contributors.\n#\ndata_1000041\nloop_\n_publ_author_name\n'Abrahams, S C'\n'Bernstein, J L'\n_publ_section_title\n;\nAccuracy of an automatic diffractometer. measurement of the sodium\nchloride structure factors\n;\n_journal_coden_ASTM ACCRA9\n_journal_name_full 'Acta Crystallographica (1,1948-23,1967)'\n_journal_page_first 926\n_journal_page_last 932\n_journal_paper_doi 10.1107/S0365110X65002244\n_journal_volume 18\n_journal_year 1965\n_chemical_formula_structural 'Na Cl'\n_chemical_formula_sum 'Cl Na'\n_chemical_name_systematic 'Sodium chloride'\n_space_group_IT_number 225\n_symmetry_cell_setting cubic\n_symmetry_Int_Tables_number 225\n_symmetry_space_group_name_Hall '-F 4 2 3'\n_symmetry_space_group_name_H-M 'F m -3 m'\n_cell_angle_alpha 90\n_cell_angle_beta 90\n_cell_angle_gamma 90\n_cell_formula_units_Z 4\n_cell_length_a 5.64167\n_cell_length_b 5.64167\n_cell_length_c 5.64167\n_cell_volume 177.5\n_refine_ls_R_factor_all 0.022\n_cod_database_code 1000041\nloop_\n_symmetry_equiv_pos_as_xyz\nx,y,z\ny,z,x\nz,x,y\nx,z,y\ny,x,z\nz,y,x\nx,-y,-z\ny,-z,-x\nz,-x,-y\nx,-z,-y\ny,-x,-z\nz,-y,-x\n-x,y,-z\n-y,z,-x\n-z,x,-y\n-x,z,-y\n-y,x,-z\n-z,y,-x\n-x,-y,z\n-y,-z,x\n-z,-x,y\n-x,-z,y\n-y,-x,z\n-z,-y,x\n-x,-y,-z\n-y,-z,-x\n-z,-x,-y\n-x,-z,-y\n-y,-x,-z\n-z,-y,-x\n-x,y,z\n-y,z,x\n-z,x,y\n-x,z,y\n-y,x,z\n-z,y,x\nx,-y,z\ny,-z,x\nz,-x,y\nx,-z,y\ny,-x,z\nz,-y,x\nx,y,-z\ny,z,-x\nz,x,-y\nx,z,-y\ny,x,-z\nz,y,-x\nx,1/2+y,1/2+z\n1/2+x,y,1/2+z\n1/2+x,1/2+y,z\ny,1/2+z,1/2+x\n1/2+y,z,1/2+x\n1/2+y,1/2+z,x\nz,1/2+x,1/2+y\n1/2+z,x,1/2+y\n1/2+z,1/2+x,y\nx,1/2+z,1/2+y\n1/2+x,z,1/2+y\n1/2+x,1/2+z,y\ny,1/2+x,1/2+z\n1/2+y,x,1/2+z\n1/2+y,1/2+x,z\nz,1/2+y,1/2+x\n1/2+z,y,1/2+x\n1/2+z,1/2+y,x\nx,1/2-y,1/2-z\n1/2+x,-y,1/2-z\n1/2+x,1/2-y,-z\ny,1/2-z,1/2-x\n1/2+y,-z,1/2-x\n1/2+y,1/2-z,-x\nz,1/2-x,1/2-y\n1/2+z,-x,1/2-y\n1/2+z,1/2-x,-y\nx,1/2-z,1/2-y\n1/2+x,-z,1/2-y\n1/2+x,1/2-z,-y\ny,1/2-x,1/2-z\n1/2+y,-x,1/2-z\n1/2+y,1/2-x,-z\nz,1/2-y,1/2-x\n1/2+z,-y,1/2-x\n1/2+z,1/2-y,-x\n-x,1/2+y,1/2-z\n1/2-x,y,1/2-z\n1/2-x,1/2+y,-z\n-y,1/2+z,1/2-x\n1/2-y,z,1/2-x\n1/2-y,1/2+z,-x\n-z,1/2+x,1/2-y\n1/2-z,x,1/2-y\n1/2-z,1/2+x,-y\n-x,1/2+z,1/2-y\n1/2-x,z,1/2-y\n1/2-x,1/2+z,-y\n-y,1/2+x,1/2-z\n1/2-y,x,1/2-z\n1/2-y,1/2+x,-z\n-z,1/2+y,1/2-x\n1/2-z,y,1/2-x\n1/2-z,1/2+y,-x\n-x,1/2-y,1/2+z\n1/2-x,-y,1/2+z\n1/2-x,1/2-y,z\n-y,1/2-z,1/2+x\n1/2-y,-z,1/2+x\n1/2-y,1/2-z,x\n-z,1/2-x,1/2+y\n1/2-z,-x,1/2+y\n1/2-z,1/2-x,y\n-x,1/2-z,1/2+y\n1/2-x,-z,1/2+y\n1/2-x,1/2-z,y\n-y,1/2-x,1/2+z\n1/2-y,-x,1/2+z\n1/2-y,1/2-x,z\n-z,1/2-y,1/2+x\n1/2-z,-y,1/2+x\n1/2-z,1/2-y,x\n-x,1/2-y,1/2-z\n1/2-x,-y,1/2-z\n1/2-x,1/2-y,-z\n-y,1/2-z,1/2-x\n1/2-y,-z,1/2-x\n1/2-y,1/2-z,-x\n-z,1/2-x,1/2-y\n1/2-z,-x,1/2-y\n1/2-z,1/2-x,-y\n-x,1/2-z,1/2-y\n1/2-x,-z,1/2-y\n1/2-x,1/2-z,-y\n-y,1/2-x,1/2-z\n1/2-y,-x,1/2-z\n1/2-y,1/2-x,-z\n-z,1/2-y,1/2-x\n1/2-z,-y,1/2-x\n1/2-z,1/2-y,-x\n-x,1/2+y,1/2+z\n1/2-x,y,1/2+z\n1/2-x,1/2+y,z\n-y,1/2+z,1/2+x\n1/2-y,z,1/2+x\n1/2-y,1/2+z,x\n-z,1/2+x,1/2+y\n1/2-z,x,1/2+y\n1/2-z,1/2+x,y\n-x,1/2+z,1/2+y\n1/2-x,z,1/2+y\n1/2-x,1/2+z,y\n-y,1/2+x,1/2+z\n1/2-y,x,1/2+z\n1/2-y,1/2+x,z\n-z,1/2+y,1/2+x\n1/2-z,y,1/2+x\n1/2-z,1/2+y,x\nx,1/2-y,1/2+z\n1/2+x,-y,1/2+z\n1/2+x,1/2-y,z\ny,1/2-z,1/2+x\n1/2+y,-z,1/2+x\n1/2+y,1/2-z,x\nz,1/2-x,1/2+y\n1/2+z,-x,1/2+y\n1/2+z,1/2-x,y\nx,1/2-z,1/2+y\n1/2+x,-z,1/2+y\n1/2+x,1/2-z,y\ny,1/2-x,1/2+z\n1/2+y,-x,1/2+z\n1/2+y,1/2-x,z\nz,1/2-y,1/2+x\n1/2+z,-y,1/2+x\n1/2+z,1/2-y,x\nx,1/2+y,1/2-z\n1/2+x,y,1/2-z\n1/2+x,1/2+y,-z\ny,1/2+z,1/2-x\n1/2+y,z,1/2-x\n1/2+y,1/2+z,-x\nz,1/2+x,1/2-y\n1/2+z,x,1/2-y\n1/2+z,1/2+x,-y\nx,1/2+z,1/2-y\n1/2+x,z,1/2-y\n1/2+x,1/2+z,-y\ny,1/2+x,1/2-z\n1/2+y,x,1/2-z\n1/2+y,1/2+x,-z\nz,1/2+y,1/2-x\n1/2+z,y,1/2-x\n1/2+z,1/2+y,-x\nloop_\n_atom_site_label\n_atom_site_type_symbol\n_atom_site_symmetry_multiplicity\n_atom_site_Wyckoff_symbol\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\n_atom_site_occupancy\n_atom_site_attached_hydrogens\n_atom_site_calc_flag\nNa1 Na1+ 4 a 0. 0. 0. 1. 0 d\nCl1 Cl1- 4 b 0.5 0.5 0.5 1. 0 d\nloop_\n_atom_type_symbol\n_atom_type_oxidation_number\nNa1+ 1.000\nCl1- -1.000\n" }, { "path": "pyxtal/database/cifs/NaSb3F10.cif", "content": "#======================================================================\n\n# CRYSTAL DATA\n\n#----------------------------------------------------------------------\n\ndata_VESTA_phase_1\n\n\n_chemical_name_common 'New structure'\n_cell_length_a 8.28500\n_cell_length_b 8.28500\n_cell_length_c 7.60000\n_cell_angle_alpha 90\n_cell_angle_beta 90\n_cell_angle_gamma 120\n_space_group_name_H-M_alt 'P 63'\n_space_group_IT_number 173\n\nloop_\n_space_group_symop_operation_xyz\n 'x, y, z'\n '-y, x-y, z'\n '-x+y, -x, z'\n '-x, -y, z+1/2'\n 'y, -x+y, z+1/2'\n 'x-y, x, z+1/2'\n\nloop_\n _atom_site_label\n _atom_site_occupancy\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_adp_type\n _atom_site_B_iso_or_equiv\n _atom_site_type_symbol\n Sb 1.0 -0.116300 0.224300 0.550000 Biso 1.000000 Sb\n Na 1.0 0.333333 0.666667 0.467000 Biso 1.000000 Na\n F 1.0 0.035000 0.491000 0.581000 Biso 1.000000 F\n F 1.0 0.204000 0.393000 0.294000 Biso 1.000000 F\n F 1.0 0.111000 0.229000 0.640000 Biso 1.000000 F\n F 1.0 0.666667 0.333333 0.545000 Biso 1.000000 F\n" }, { "path": "pyxtal/database/cifs/NbO2.cif", "content": "# generated using pymatgen\ndata_NbO2\n_symmetry_space_group_name_H-M I4_1/a\n_cell_length_a 9.80017200\n_cell_length_b 9.80017200\n_cell_length_c 6.08831200\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 88\n_chemical_formula_structural NbO2\n_chemical_formula_sum 'Nb16 O32'\n_cell_volume 584.74200958\n_cell_formula_units_Z 16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\n 2 '-y+1/2, x, z+3/4'\n 3 '-x, -y, z'\n 4 'y+1/2, -x, z+3/4'\n 5 '-x+1/2, -y, -z+3/4'\n 6 'y, -x, -z'\n 7 'x+1/2, y, -z+3/4'\n 8 '-y, x, -z'\n 9 'x+1/2, y+1/2, z+1/2'\n 10 '-y, x+1/2, z+1/4'\n 11 '-x+1/2, -y+1/2, z+1/2'\n 12 'y, -x+1/2, z+1/4'\n 13 '-x, -y+1/2, -z+1/4'\n 14 'y+1/2, -x+1/2, -z+1/2'\n 15 'x, y+1/2, -z+1/4'\n 16 '-y+1/2, x+1/2, -z+1/2'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Nb Nb0 16 0.01353150 0.24283950 0.84862150 1\n O O1 16 0.10418550 0.34800750 0.13414850 1\n O O2 16 0.10688600 0.36493400 0.60970500 1\n" }, { "path": "pyxtal/database/cifs/NiS-Cm.cif", "content": "#############################################################\n# ______ _ _ _ \t #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | \t #\n# | ____/ | | | ) (| _)/ _ | | \t #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 0.1.8)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at University of Nevada Las Vegas #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Cm'\n_symmetry_Int_Tables_number 8\n_symmetry_cell_setting monoclinic\n_cell_length_a 5.669311\n_cell_length_b 9.988657\n_cell_length_c 3.073181\n_cell_angle_alpha 90.000000\n_cell_angle_beta 106.153678\n_cell_angle_gamma 90.000000\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 'x, -y, z'\n3 'x+1/2, y+1/2, z'\n4 'x+1/2, -y+1/2, z'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nNi Ni 4 0.362645 0.637032 0.388564 1\nNi Ni 2 0.246987 0.000000 0.643177 1\nS S 4 0.206580 0.841872 0.105715 1\nS S 2 0.646058 0.000000 0.771561 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/P3_112.cif", "content": "data_global\r\n_amcsd_formula_title 'Ag2 H O4 P'\r\nloop_\r\n_publ_author_name\r\n'Tordjman I'\r\n'Boudjada A'\r\n'Guitel J'\r\n'Masse R'\r\n_journal_name_full 'Acta Crystallographica, Section B'\r\n_journal_volume 34 \r\n_journal_year 1978\r\n_journal_page_first 3723\r\n_journal_page_last 3725\r\n_publ_section_title\r\n;\r\n Structure de l'Hydrogenophosphate D'Argent\r\n _cod_database_code 1008168\r\n;\r\n_database_code_amcsd 0016108\r\n_chemical_formula_sum 'Ag2 P O4 H'\r\n_chemical_formula_sum ''\r\n_cell_length_a 6.190\r\n_cell_length_b 6.190\r\n_cell_length_c 9.015\r\n_cell_angle_alpha 90\r\n_cell_angle_beta 90\r\n_cell_angle_gamma 120\r\n_cell_volume 299.142\r\n_exptl_crystal_density_diffrn 5.191\r\n_symmetry_space_group_name_H-M 'P 31 1 2'\r\nloop_\r\n_space_group_symop_operation_xyz\r\n 'x,y,z'\r\n '-x+y,y,1/3-z'\r\n '-y,x-y,1/3+z'\r\n '-y,-x,2/3-z'\r\n '-x+y,-x,2/3+z'\r\n 'x,x-y,-z'\r\nloop_\r\n_atom_site_label\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\nAg1 -0.08180 0.08180 0.33333\r\nAg2 0.20510 -0.20510 0.33333\r\nP1 0.50870 -0.50870 0.33333\r\nO1 0.26670 0.41230 0.41470\r\nO2 0.46090 0.27500 0.22470\r\nH1 0.62000 0.24000 0.16667\r\n" }, { "path": "pyxtal/database/cifs/P4_332.cif", "content": "data_global\r\n_amcsd_formula_title 'Ge3 O8 Zn2'\r\nloop_\r\n_publ_author_name\r\n'Joubert J'\r\n'Durif A'\r\n_journal_name_full 'Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences'\r\n_journal_volume 256 \r\n_journal_year 1963\r\n_journal_page_first 4403\r\n_journal_page_last 4405\r\n_publ_section_title\r\n;\r\n Preparation de spinelles lacunaires par reaction d'echange a l'etat solide.\r\n _cod_database_code 1007256\r\n;\r\n_database_code_amcsd 0015937\r\n_chemical_formula_sum 'Ge3 Zn2 O8'\r\n_chemical_formula_sum ''\r\n_cell_length_a 8.213\r\n_cell_length_b 8.213\r\n_cell_length_c 8.213\r\n_cell_angle_alpha 90\r\n_cell_angle_beta 90\r\n_cell_angle_gamma 90\r\n_cell_volume 553.995\r\n_exptl_crystal_density_diffrn 5.714\r\n_symmetry_space_group_name_H-M 'P 43 3 2'\r\nloop_\r\n_space_group_symop_operation_xyz\r\n 'x,y,z'\r\n '-z,1/2+x,1/2-y'\r\n '-y,1/2+z,1/2-x'\r\n '-x,1/2+y,1/2-z'\r\n '3/4-x,1/4+z,3/4+y'\r\n '3/4-z,1/4+y,3/4+x'\r\n '3/4-y,1/4+x,3/4+z'\r\n '1/4-x,1/4-z,1/4-y'\r\n '1/4-z,1/4-y,1/4-x'\r\n '1/4-y,1/4-x,1/4-z'\r\n '1/2-z,-x,1/2+y'\r\n '1/2-y,-z,1/2+x'\r\n '1/2-x,-y,1/2+z'\r\n '1/2+z,1/2-x,-y'\r\n '1/2+y,1/2-z,-x'\r\n '1/2+x,1/2-y,-z'\r\n '3/4+x,3/4-z,1/4+y'\r\n '3/4+z,3/4-y,1/4+x'\r\n '3/4+y,3/4-x,1/4+z'\r\n '1/4+x,3/4+z,3/4-y'\r\n '1/4+z,3/4+y,3/4-x'\r\n '1/4+y,3/4+x,3/4-z'\r\n 'z,x,y'\r\n 'y,z,x'\r\nloop_\r\n_atom_site_label\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\nGe1 0.12500 0.36300 -0.11300\r\nZn1 0.00800 0.00800 0.00800\r\nO1 0.13700 0.13700 0.38700\r\nO2 0.38700 0.38700 0.38700\r\n" }, { "path": "pyxtal/database/cifs/P4nmm.vasp", "content": "Sn2 O2\n1.0\n3.802900 0.000000 0.000000\n0.000000 3.802900 0.000000\n0.000000 0.000000 4.838200\nSn O\n2 2\ndirect\n0.500000 0.000000 0.238300 Sn\n0.000000 0.500000 0.761700 Sn\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n" }, { "path": "pyxtal/database/cifs/P6_422.cif", "content": "data_global\r\n_chemical_name_mineral 'Eucryptite'\r\nloop_\r\n_publ_author_name\r\n'Pillars W W'\r\n'Peacor D R'\r\n_journal_name_full 'American Mineralogist'\r\n_journal_volume 58 \r\n_journal_year 1973\r\n_journal_page_first 681\r\n_journal_page_last 690\r\n_publ_section_title\r\n;\r\n The crystal structure of beta eucryptite as a function of temperature\r\n T = 484 C\r\n;\r\n_database_code_amcsd 0000380\r\n_chemical_formula_sum 'Si Al Li O4'\r\n_chemical_formula_sum ''\r\n_cell_length_a 5.251\r\n_cell_length_b 5.251\r\n_cell_length_c 11.192\r\n_cell_angle_alpha 90\r\n_cell_angle_beta 90\r\n_cell_angle_gamma 120\r\n_cell_volume 267.253\r\n_exptl_crystal_density_diffrn 2.349\r\n_symmetry_space_group_name_H-M 'P 64 2 2'\r\nloop_\r\n_space_group_symop_operation_xyz\r\n 'x,y,z'\r\n 'x,x-y,2/3-z'\r\n 'x-y,x,2/3+z'\r\n 'y,x,1/3-z'\r\n '-y,x-y,1/3+z'\r\n '-x+y,y,-z'\r\n '-x,-y,z'\r\n '-x,-x+y,2/3-z'\r\n '-x+y,-x,2/3+z'\r\n '-y,-x,1/3-z'\r\n 'y,-x+y,1/3+z'\r\n 'x-y,-y,-z'\r\nloop_\r\n_atom_site_label\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_U_iso_or_equiv\r\nSi 0.50000 0.00000 0.00000 0.01254\r\nAl 0.50000 0.00000 0.50000 0.01191\r\nLi 0.00000 0.00000 0.00000 0.08992\r\nO 0.21050 0.40460 0.74560 0.03040\r\n" }, { "path": "pyxtal/database/cifs/PAHYON01.cif", "content": "####################################################################### \r\n# \r\n# This file contains crystal structure data downloaded from the \r\n# Cambridge Structural Database (CSD) hosted by the Cambridge \r\n# Crystallographic Data Centre (CCDC).\r\n# \r\n# Full information about CCDC data access policies and citation \r\n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \r\n# \r\n# Audit and citation data items may have been added by the CCDC. \r\n# Please retain this information to preserve the provenance of \r\n# this file and to allow appropriate attribution of the data. \r\n# \r\n#######################################################################\r\n\r\ndata_VIII\r\n_audit_block_doi 10.5517/cc9lxpg\r\n_database_code_depnum_ccdc_archive 'CCDC 286306'\r\nloop_\r\n_citation_id\r\n_citation_doi\r\n_citation_year\r\n1 10.1107/S0108768105016563 2005\r\n_audit_update_record \r\n;\r\n2005-10-12 deposited with the CCDC.\t2021-05-12 downloaded from the CCDC.\r\n;\r\n_audit_creation_method CRYSTALS_ver_12-03-99\r\n\r\n_chemical_formula_moiety ' C3 H4 N2 O2 '\r\n_chemical_formula_sum ' C3 H4 N2 O2 '\r\n_chemical_formula_weight 100.08\r\n_symmetry_cell_setting Monoclinic\r\n_symmetry_space_group_name_H-M 'C 1 2/c 1 '\r\nloop_\r\n_symmetry_equiv_pos_as_xyz\r\n\r\nx,y,z\r\n-x,-y,-z\r\nx+1/2,y+1/2,z\r\n-x+1/2,-y+1/2,-z\r\n-x,y,-z+1/2\r\nx,-y,z+1/2\r\n-x+1/2,y+1/2,-z+1/2\r\nx+1/2,-y+1/2,z+1/2\r\n\r\n\r\n_cell_length_a 9.3538(7)\r\n\r\n_cell_length_b 12.1757(11)\r\n\r\n_cell_length_c 7.2286(6)\r\n\r\n_cell_angle_alpha 90\r\n\r\n_cell_angle_beta 104.593(4)\r\n\r\n_cell_angle_gamma 90\r\n\r\n_cell_volume 796.70(11)\r\n\r\n_cell_formula_units_Z 8\r\n\r\n_cell_measurement_reflns_used 730\r\n\r\n_cell_measurement_theta_min 5\r\n\r\n_cell_measurement_theta_max 27\r\n\r\n_cell_measurement_temperature 190\r\n\r\n_exptl_crystal_description ' plate '\r\n\r\n_exptl_crystal_colour ' colourless '\r\n\r\n_exptl_crystal_size_max 0.18\r\n\r\n_exptl_crystal_size_mid 0.10\r\n\r\n_exptl_crystal_size_min 0.02\r\n\r\n_exptl_crystal_density_diffrn 1.669\r\n\r\n_exptl_crystal_density_meas ?\r\n\r\n_exptl_crystal_F_000 416.000\r\n\r\n_exptl_absorpt_coefficient_mu 0.142\r\n\r\n_exptl_absorpt_correction_type multi-scan\r\n\r\n_exptl_absorpt_process_details \r\n;\r\nDenzo/Scalepack (Otwinowski & Minor, 1996)\r\n;\r\n\r\n\r\n_exptl_absorpt_correction_T_min 0.99\r\n\r\n_exptl_absorpt_correction_T_max 1.00\r\n\r\n_diffrn_ambient_temperature 190\r\n\r\n_diffrn_radiation_type 'Mo K\\a'\r\n\r\n_diffrn_radiation_wavelength 0.71073\r\n\r\n_diffrn_radiation_monochromator graphite\r\n\r\n_diffrn_measurement_device_type \r\n;\r\nNonius Kappa CCD\r\n;\r\n\r\n\r\n_diffrn_measurement_method \\w\r\n\r\n_diffrn_reflns_number 1593\r\n\r\n_diffrn_reflns_av_R_equivalents 0.02\r\n\r\n_diffrn_reflns_theta_min 5.506\r\n\r\n_diffrn_reflns_theta_max 27.442\r\n\r\n_diffrn_reflns_theta_full 21.679\r\n\r\n_diffrn_measured_fraction_theta_max 0.970\r\n\r\n_diffrn_measured_fraction_theta_full 0.979\r\n\r\n_diffrn_reflns_limit_h_min -12\r\n\r\n_diffrn_reflns_limit_h_max 12\r\n\r\n_diffrn_reflns_limit_k_min -14\r\n\r\n_diffrn_reflns_limit_k_max 15\r\n\r\n_diffrn_reflns_limit_l_min -9\r\n\r\n_diffrn_reflns_limit_l_max 9\r\n\r\n_diffrn_standards_number 0\r\n\r\n_diffrn_standards_interval_count 0\r\n\r\n_diffrn_standards_interval_time 0\r\n\r\n_diffrn_standards_decay_% 0.00\r\n\r\n_reflns_number_total 886\r\n\r\n_reflns_number_gt 886\r\n\r\n_reflns_threshold_expression I>-10.00u(I)\r\n\r\n_refine_ls_structure_factor_coef Fsqd\r\n\r\n_refine_ls_R_factor_all 0.0611\r\n\r\n_refine_ls_R_factor_gt 0.0611\r\n\r\n_refine_ls_wR_factor_all 0.1313\r\n\r\n_refine_ls_wR_factor_gt 0.1313\r\n\r\n_refine_ls_wR_factor_ref 0.1313\r\n\r\n_refine_ls_goodness_of_fit_ref 1.1316\r\n\r\n_refine_ls_number_reflns 886\r\n\r\n_refine_ls_number_parameters 77\r\n\r\n_refine_ls_number_restraints 0\r\n\r\n_refine_ls_weighting_scheme calc\r\n\r\n_refine_ls_weighting_details \r\n;\r\np=P(6)*max(Fo^2,0) + (1-P(6))Fc^2\r\nMethod = SHELXL 97 (Sheldrick, 1997)\r\nW = 1. / [Sigma^2(F*)+(P(1)p)^2+P(2)p+P(4)+P(5)Sin(theta) ]\r\nP(i) are:\r\n0.00 1.89 0.00 0.00 0.00 0.333\r\n;\r\n\r\n\r\n_refine_ls_shift/su_max 0.000095\r\n\r\n_refine_diff_density_max 0.27\r\n\r\n_refine_diff_density_min -0.25\r\n\r\n_computing_data_collection \r\n;\r\nCOLLECT (Nonius BV, 1997)\r\n;\r\n\r\n\r\n_computing_cell_refinement \r\n;\r\nDenzo/Scalepack (Otwinowski & Minor, 1996)\r\n;\r\n\r\n\r\n_computing_data_reduction \r\n;\r\nDenzo/Scalepack (Otwinowski & Minor, 1996)\r\n;\r\n\r\n\r\n_computing_structure_solution \r\n;\r\nSIR92 (Altomare et al, 1994)\r\n;\r\n\r\n\r\n_computing_structure_refinement \r\n;\r\nCRYSTALS (Watkin et al 2001)\r\n;\r\n\r\n\r\n_computing_molecular_graphics \r\n;\r\nCAMERON (Watkin et al 1996)\r\n;\r\n\r\n\r\n_computing_publication_material \r\n;\r\nCRYSTALS (Watkin et al 2001)\r\n;\r\n\r\nloop_\r\n_atom_site_label\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_U_iso_or_equiv\r\n_atom_site_adp_type\r\n_atom_site_refinement_flags\r\n_atom_site_occupancy\r\n_atom_site_type_symbol\r\n\r\nC1 0.7974(3) 0.00484(19) 0.8218(3) 0.0271 Uani . 1.0000 C\r\nN2 0.6630(2) 0.01532(16) 0.6856(3) 0.0271 Uani . 1.0000 N\r\nC3 0.6326(3) 0.12247(19) 0.6338(3) 0.0280 Uani . 1.0000 C\r\nC4 0.7522(3) 0.1883(2) 0.7508(4) 0.0326 Uani . 1.0000 C\r\nN5 0.8510(3) 0.10869(19) 0.8685(3) 0.0374 Uani . 1.0000 N\r\nO6 0.5237(2) 0.15458(14) 0.5136(3) 0.0376 Uani . 1.0000 O\r\nO7 0.8518(2) -0.08264(14) 0.8866(3) 0.0366 Uani . 1.0000 O\r\nH41 0.802(3) 0.224(3) 0.685(5) 0.0388 Uiso . 1.0000 H\r\nH42 0.723(3) 0.236(3) 0.815(5) 0.0388 Uiso . 1.0000 H\r\nH51 0.943(3) 0.119(2) 0.959(4) 0.0309 Uiso . 1.0000 H\r\nH2 0.610(4) -0.038(3) 0.623(5) 0.0500 Uiso . 1.0000 H\r\n\r\nloop_\r\n_atom_site_aniso_label\r\n_atom_site_aniso_U_11\r\n_atom_site_aniso_U_22\r\n_atom_site_aniso_U_33\r\n_atom_site_aniso_U_12\r\n_atom_site_aniso_U_13\r\n_atom_site_aniso_U_23\r\n\r\nC1 0.0268(12) 0.0249(11) 0.0285(11) -0.0012(9) 0.0050(9) 0.0002(9)\r\nN2 0.0270(10) 0.0198(9) 0.0303(11) -0.0027(7) -0.0006(8) -0.0005(7)\r\nC3 0.0328(12) 0.0236(11) 0.0255(12) -0.0033(9) 0.0035(9) 0.0005(8)\r\nC4 0.0474(15) 0.0179(11) 0.0314(13) -0.0030(10) 0.0077(11) 0.0001(9)\r\nN5 0.0327(12) 0.0373(12) 0.0362(13) -0.0040(10) -0.0030(10) -0.0052(9)\r\nO6 0.0437(11) 0.0257(9) 0.0350(10) 0.0016(7) -0.0063(8) 0.0020(7)\r\nO7 0.0360(10) 0.0262(9) 0.0417(11) 0.0036(7) -0.0009(8) 0.0020(7)\r\n" }, { "path": "pyxtal/database/cifs/PPO.cif", "content": "# generated using pymatgen\ndata_P2Pb3O8\n_symmetry_space_group_name_H-M C2/c\n_cell_length_a 11.17927600\n_cell_length_b 8.89390600\n_cell_length_c 9.02647447\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 113.30179428\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 15\n_chemical_formula_structural P2Pb3O8\n_chemical_formula_sum 'P8 Pb12 O32'\n_cell_volume 824.27536727\n_cell_formula_units_Z 4\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\n 2 '-x, -y, -z'\n 3 '-x, y, -z+1/2'\n 4 'x, -y, z+1/2'\n 5 'x+1/2, y+1/2, z'\n 6 '-x+1/2, -y+1/2, -z'\n 7 '-x+1/2, y+1/2, -z+1/2'\n 8 'x+1/2, -y+1/2, z+1/2'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n P P0 8 0.21193100 0.29718100 0.69853800 1\n Pb Pb1 8 0.14950100 0.04598000 0.93976800 1\n Pb Pb2 4 0.00000000 0.41342300 0.25000000 1\n O O3 8 0.13607100 0.20005600 0.23768800 1\n O O4 8 0.15506150 0.13874650 0.64268300 1\n O O5 8 0.15805250 0.41685050 0.56066500 1\n O O6 8 0.17199950 0.34300750 0.84093300 1\n" }, { "path": "pyxtal/database/cifs/PVO.cif", "content": "# generated using pymatgen\ndata_V2Pb3O8\n_symmetry_space_group_name_H-M P2_1/c\n_cell_length_a 7.50825400\n_cell_length_b 6.57058900\n_cell_length_c 9.53470756\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 114.52196743\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 14\n_chemical_formula_structural V2Pb3O8\n_chemical_formula_sum 'V4 Pb6 O16'\n_cell_volume 427.95452489\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\n 2 '-x, -y, -z'\n 3 '-x, y+1/2, -z+1/2'\n 4 'x, -y+1/2, z+1/2'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n V V0 4 0.19933300 0.01873300 0.40018100 1\n Pb Pb1 4 0.38511500 0.61186200 0.28659500 1\n Pb Pb2 2 0.00000000 0.00000000 0.00000000 1\n O O3 4 0.04244300 0.53952400 0.22925200 1\n O O4 4 0.24199400 0.69777500 0.02067900 1\n O O5 4 0.27174300 0.23401600 0.51446600 1\n O O6 4 0.32793500 0.52516900 0.78339300 1\n" }, { "path": "pyxtal/database/cifs/Pm3.cif", "content": "data_global\r\n_amcsd_formula_title 'Hg N3 O6 Rb'\r\nloop_\r\n_publ_author_name\r\n'Ferrari A'\r\n'Colla C'\r\n_journal_name_full 'Gazzetta Chimica Italiana'\r\n_journal_volume 65 \r\n_journal_year 1935\r\n_journal_page_first 789\r\n_journal_page_last 797\r\n_publ_section_title\r\n;\r\n Mercurinitriti di metalli monovalenti\r\n _cod_database_code 1010349\r\n;\r\n_database_code_amcsd 0017275\r\n_chemical_formula_sum 'Rb Hg N3 O6'\r\n_chemical_formula_sum ''\r\n_cell_length_a 5.45\r\n_cell_length_b 5.45\r\n_cell_length_c 5.45\r\n_cell_angle_alpha 90\r\n_cell_angle_beta 90\r\n_cell_angle_gamma 90\r\n_cell_volume 161.879\r\n_exptl_crystal_density_diffrn 4.350\r\n_symmetry_space_group_name_H-M 'P m 3'\r\nloop_\r\n_space_group_symop_operation_xyz\r\n 'x,y,z'\r\n 'z,x,-y'\r\n 'z,-x,y'\r\n '-z,x,y'\r\n '-z,-x,-y'\r\n 'y,-z,-x'\r\n '-y,-z,x'\r\n '-y,z,-x'\r\n 'y,z,x'\r\n 'x,-y,z'\r\n '-x,y,z'\r\n 'x,y,-z'\r\n '-x,-y,-z'\r\n '-z,-x,y'\r\n '-z,x,-y'\r\n 'z,-x,-y'\r\n 'z,x,y'\r\n '-y,z,x'\r\n 'y,z,-x'\r\n 'y,-z,x'\r\n '-y,-z,-x'\r\n '-x,y,-z'\r\n 'x,-y,-z'\r\n '-x,-y,z'\r\nloop_\r\n_atom_site_label\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\nRb1 0.00000 0.00000 0.00000\r\nHg1 0.50000 0.50000 0.50000\r\nN1 0.00000 0.50000 0.50000\r\nO1 0.00000 0.24000 0.50000\r\n" }, { "path": "pyxtal/database/cifs/Pmmn.vasp", "content": "Cu2 Te2\n1.0\n3.100000 0.000000 0.000000\n0.000000 4.020000 0.000000\n0.000000 0.000000 6.860000\nCu Te\n2 2\ndirect\n0.000000 0.500000 0.449000 Cu\n0.500000 0.000000 0.551000 Cu\n0.000000 0.000000 0.223000 Te\n0.500000 0.500000 0.777000 Te\n" }, { "path": "pyxtal/database/cifs/Pn3.vasp", "content": "Cu4 O2\n1.0\n4.269600 0.000000 0.000000\n0.000000 4.269600 0.000000\n0.000000 0.000000 4.269600\nCu O\n4 2\ndirect\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.250000 Cu\n0.750000 0.250000 0.750000 Cu\n0.250000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n" }, { "path": "pyxtal/database/cifs/Pn3m.vasp", "content": "Cu4 O2\n1.0\n4.268500 0.000000 0.000000\n0.000000 4.268500 0.000000\n0.000000 0.000000 4.268500\nCu O\n4 2\ndirect\n0.250000 0.250000 0.250000 Cu\n0.750000 0.250000 0.750000 Cu\n0.250000 0.750000 0.750000 Cu\n0.750000 0.750000 0.250000 Cu\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n" }, { "path": "pyxtal/database/cifs/R-3.cif", "content": "data_global\r\n_chemical_name_mineral 'Akimotoite'\r\nloop_\r\n_publ_author_name\r\n'Horiuchi H'\r\n'Hirano M'\r\n'Ito E'\r\n'Matsui Y'\r\n_journal_name_full 'American Mineralogist'\r\n_journal_volume 67 \r\n_journal_year 1982\r\n_journal_page_first 788\r\n_journal_page_last 793\r\n_publ_section_title\r\n;\r\n MgSiO3 (ilmenite-type): Single crystal X-ray diffraction study\r\n;\r\n_database_code_amcsd 0000870\r\n_chemical_formula_sum 'Si Mg O3'\r\n_chemical_formula_sum ''\r\n_cell_length_a 4.7284\r\n_cell_length_b 4.7284\r\n_cell_length_c 13.5591\r\n_cell_angle_alpha 90\r\n_cell_angle_beta 90\r\n_cell_angle_gamma 120\r\n_cell_volume 262.537\r\n_exptl_crystal_density_diffrn 3.810\r\n_symmetry_space_group_name_H-M 'R -3'\r\nloop_\r\n_space_group_symop_operation_xyz\r\n 'x,y,z'\r\n '2/3+x,1/3+y,1/3+z'\r\n '1/3+x,2/3+y,2/3+z'\r\n 'y,-x+y,-z'\r\n '2/3+y,1/3-x+y,1/3-z'\r\n '1/3+y,2/3-x+y,2/3-z'\r\n '-x+y,-x,z'\r\n '2/3-x+y,1/3-x,1/3+z'\r\n '1/3-x+y,2/3-x,2/3+z'\r\n '-x,-y,-z'\r\n '2/3-x,1/3-y,1/3-z'\r\n '1/3-x,2/3-y,2/3-z'\r\n '-y,x-y,z'\r\n '2/3-y,1/3+x-y,1/3+z'\r\n '1/3-y,2/3+x-y,2/3+z'\r\n 'x-y,x,-z'\r\n '2/3+x-y,1/3+x,1/3-z'\r\n '1/3+x-y,2/3+x,2/3-z'\r\nloop_\r\n_atom_site_label\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\nSi 0.00000 0.00000 0.15768\r\nMg 0.00000 0.00000 0.35970\r\nO 0.32140 0.03610 0.24077\r\nloop_\r\n_atom_site_aniso_label\r\n_atom_site_aniso_U_11\r\n_atom_site_aniso_U_22\r\n_atom_site_aniso_U_33\r\n_atom_site_aniso_U_12\r\n_atom_site_aniso_U_13\r\n_atom_site_aniso_U_23\r\nSi 0.00535 0.00535 0.00531 0.00268 0.00000 0.00000\r\nMg 0.00849 0.00849 0.00550 0.00425 0.00000 0.00000\r\nO 0.00578 0.00510 0.00745 0.00289 -0.00028 0.00028\r\n" }, { "path": "pyxtal/database/cifs/R-3c.cif", "content": "data_global\r\n_chemical_name_mineral 'Hematite'\r\nloop_\r\n_publ_author_name\r\n'Blake R L'\r\n'Hessevick R E'\r\n'Zoltai T'\r\n'Finger L W'\r\n_journal_name_full 'American Mineralogist'\r\n_journal_volume 51 \r\n_journal_year 1966\r\n_journal_page_first 123\r\n_journal_page_last 129\r\n_publ_section_title\r\n;\r\n Refinement of the hematite structure\r\n;\r\n_database_code_amcsd 0000143\r\n_chemical_compound_source 'Elba, Italy'\r\n_chemical_formula_sum 'Fe2 O3'\r\n_chemical_formula_sum ''\r\n_cell_length_a 5.038\r\n_cell_length_b 5.038\r\n_cell_length_c 13.772\r\n_cell_angle_alpha 90\r\n_cell_angle_beta 90\r\n_cell_angle_gamma 120\r\n_cell_volume 302.722\r\n_exptl_crystal_density_diffrn 5.256\r\n_symmetry_space_group_name_H-M 'R -3 c'\r\nloop_\r\n_space_group_symop_operation_xyz\r\n 'x,y,z'\r\n '2/3+x,1/3+y,1/3+z'\r\n '1/3+x,2/3+y,2/3+z'\r\n 'x,x-y,1/2+z'\r\n '2/3+x,1/3+x-y,5/6+z'\r\n '1/3+x,2/3+x-y,1/6+z'\r\n 'y,x,1/2-z'\r\n '2/3+y,1/3+x,5/6-z'\r\n '1/3+y,2/3+x,1/6-z'\r\n '-x+y,y,1/2+z'\r\n '2/3-x+y,1/3+y,5/6+z'\r\n '1/3-x+y,2/3+y,1/6+z'\r\n '-x,-x+y,1/2-z'\r\n '2/3-x,1/3-x+y,5/6-z'\r\n '1/3-x,2/3-x+y,1/6-z'\r\n '-y,-x,1/2+z'\r\n '2/3-y,1/3-x,5/6+z'\r\n '1/3-y,2/3-x,1/6+z'\r\n 'x-y,-y,1/2-z'\r\n '2/3+x-y,1/3-y,5/6-z'\r\n '1/3+x-y,2/3-y,1/6-z'\r\n 'y,-x+y,-z'\r\n '2/3+y,1/3-x+y,1/3-z'\r\n '1/3+y,2/3-x+y,2/3-z'\r\n '-x+y,-x,z'\r\n '2/3-x+y,1/3-x,1/3+z'\r\n '1/3-x+y,2/3-x,2/3+z'\r\n '-x,-y,-z'\r\n '2/3-x,1/3-y,1/3-z'\r\n '1/3-x,2/3-y,2/3-z'\r\n '-y,x-y,z'\r\n '2/3-y,1/3+x-y,1/3+z'\r\n '1/3-y,2/3+x-y,2/3+z'\r\n 'x-y,x,-z'\r\n '2/3+x-y,1/3+x,1/3-z'\r\n '1/3+x-y,2/3+x,2/3-z'\r\nloop_\r\n_atom_site_label\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\nFe 0.00000 0.00000 0.35530\r\nO 0.30590 0.00000 0.25000\r\nloop_\r\n_atom_site_aniso_label\r\n_atom_site_aniso_U_11\r\n_atom_site_aniso_U_22\r\n_atom_site_aniso_U_33\r\n_atom_site_aniso_U_12\r\n_atom_site_aniso_U_13\r\n_atom_site_aniso_U_23\r\nFe 0.00772 0.00772 0.00279 0.00386 0.00000 0.00000\r\nO 0.00656 0.00800 0.00442 0.00405 0.00177 0.00365\r\n" }, { "path": "pyxtal/database/cifs/R32.cif", "content": "data_global\r\n_chemical_name_mineral 'Heazlewoodite'\r\nloop_\r\n_publ_author_name\r\n'Fleet M E'\r\n_journal_name_full 'American Mineralogist'\r\n_journal_volume 62 \r\n_journal_year 1977\r\n_journal_page_first 341\r\n_journal_page_last 345\r\n_publ_section_title\r\n;\r\n The crystal structure of heazlewoodite, and metallic bonds in sulfide minerals\r\n;\r\n_database_code_amcsd 0000575\r\n_chemical_formula_sum 'Ni3 S2'\r\n_chemical_formula_sum ''\r\n_cell_length_a 4.0821\r\n_cell_length_b 4.0821\r\n_cell_length_c 4.0821\r\n_cell_angle_alpha 89.475\r\n_cell_angle_beta 89.475\r\n_cell_angle_gamma 89.475\r\n_cell_volume 68.014\r\n_exptl_crystal_density_diffrn 5.864\r\n_symmetry_space_group_name_H-M 'R 3 2'\r\nloop_\r\n_space_group_symop_operation_xyz\r\n 'x,y,z'\r\n '-x,-z,-y'\r\n 'z,x,y'\r\n '-y,-x,-z'\r\n 'y,z,x'\r\n '-z,-y,-x'\r\nloop_\r\n_atom_site_label\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_U_iso_or_equiv\r\nNi 0.50000 0.24700 -0.24700 0.01431\r\nS 0.25500 0.25500 0.25500 0.00063\r\n" }, { "path": "pyxtal/database/cifs/TMPPIO03.cif", "content": "####################################################################### \r\n# \r\n# This file contains crystal structure data downloaded from the \r\n# Cambridge Structural Database (CSD) hosted by the Cambridge \r\n# Crystallographic Data Centre (CCDC).\r\n# \r\n# Full information about CCDC data access policies and citation \r\n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \r\n# \r\n# Audit and citation data items may have been added by the CCDC. \r\n# Please retain this information to preserve the provenance of \r\n# this file and to allow appropriate attribution of the data. \r\n# \r\n#######################################################################\r\n\r\ndata_TMPPIO03\r\n#This CIF has been generated from an entry in the Cambridge Structural Database\r\n_database_code_depnum_ccdc_archive 'CCDC 1272628'\r\n_database_code_CSD TMPPIO03\r\nloop_\r\n_citation_id\r\n_citation_doi\r\n_citation_year\r\n1 10.1107/S0567740881006560 1981\r\n_audit_creation_method 'Created from the CSD'\r\n_audit_update_record \r\n;\r\n2021-07-03 downloaded from the CCDC.\r\n;\r\n_database_code_NBS 538265\r\n_chemical_name_common Tanane\r\n_chemical_formula_moiety 'C9 H18 N1 O1'\r\n_chemical_name_systematic '2,2,6,6-Tetramethylpiperidine-1-oxyl radical'\r\n_chemical_absolute_configuration unk\r\n_diffrn_ambient_temperature 295\r\n_exptl_crystal_density_diffrn 1.052\r\n#These two values have been output from a single CSD field.\r\n_refine_ls_R_factor_gt 0.06\r\n_refine_ls_wR_factor_gt 0.06\r\n_diffrn_radiation_probe neutron\r\n_diffrn_source 'neutron radiation'\r\n_symmetry_cell_setting orthorhombic\r\n_symmetry_space_group_name_H-M 'F d d 2'\r\n_symmetry_Int_Tables_number 43\r\n_space_group_name_Hall 'F 2 -2d'\r\nloop_\r\n_symmetry_equiv_pos_site_id\r\n_symmetry_equiv_pos_as_xyz\r\n1 x,y,z\r\n2 x,1/2+y,1/2+z\r\n3 1/2+x,y,1/2+z\r\n4 1/2+x,1/2+y,z\r\n5 1/4-x,1/4+y,1/4+z\r\n6 1/4-x,3/4+y,3/4+z\r\n7 3/4-x,1/4+y,3/4+z\r\n8 3/4-x,3/4+y,1/4+z\r\n9 1/4+x,1/4-y,1/4+z\r\n10 1/4+x,3/4-y,3/4+z\r\n11 3/4+x,1/4-y,3/4+z\r\n12 3/4+x,3/4-y,1/4+z\r\n13 1/2-x,-y,1/2+z\r\n14 1/2-x,1/2-y,z\r\n15 -x,-y,z\r\n16 -x,1/2-y,1/2+z\r\n_cell_length_a 22.64(2)\r\n_cell_length_b 21.71(2)\r\n_cell_length_c 8.030(6)\r\n_cell_angle_alpha 90\r\n_cell_angle_beta 90\r\n_cell_angle_gamma 90\r\n_cell_volume 3946.86\r\n_cell_formula_units_Z 16\r\nloop_\r\n_atom_site_label\r\n_atom_site_type_symbol\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\nN1 N 0.38150 -0.12710 -0.17690\r\nO1 O 0.33930 -0.08920 -0.15820\r\nC1 C 0.37200 -0.17830 -0.29950\r\nC2 C 0.43130 -0.20540 -0.34740\r\nC3 C 0.46970 -0.22160 -0.19690\r\nC4 C 0.48310 -0.15940 -0.10980\r\nC5 C 0.42790 -0.12770 -0.04670\r\nC6 C 0.34120 -0.15160 -0.45060\r\nC7 C 0.33060 -0.22650 -0.21820\r\nC8 C 0.44240 -0.06030 -0.00250\r\nC9 C 0.40310 -0.16240 0.10390\r\nH1 H 0.45390 -0.17630 -0.42340\r\nH2 H 0.42050 -0.24860 -0.41330\r\nH3 H 0.45260 -0.25260 -0.11760\r\nH4 H 0.50940 -0.23510 -0.24180\r\nH5 H 0.51080 -0.16750 -0.00320\r\nH6 H 0.50360 -0.13060 -0.19040\r\nH7 H 0.36580 -0.11570 -0.50650\r\nH8 H 0.29920 -0.13450 -0.41930\r\nH9 H 0.33900 -0.18510 -0.54290\r\nH10 H 0.31650 -0.25630 -0.31730\r\nH11 H 0.35300 -0.25160 -0.12490\r\nH12 H 0.29180 -0.20280 -0.18090\r\nH13 H 0.45350 -0.03810 -0.11170\r\nH14 H 0.40330 -0.03880 0.05540\r\nH15 H 0.47770 -0.06040 0.08010\r\nH16 H 0.36170 -0.13870 0.14130\r\nH17 H 0.39870 -0.20210 0.09100\r\nH18 H 0.43030 -0.15330 0.20690\r\n\r\n#END\r\n" }, { "path": "pyxtal/database/cifs/WEXBOS.cif", "content": "####################################################################### \r\n# \r\n# This file contains crystal structure data downloaded from the \r\n# Cambridge Structural Database (CSD) hosted by the Cambridge \r\n# Crystallographic Data Centre (CCDC).\r\n# \r\n# Full information about CCDC data access policies and citation \r\n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \r\n# \r\n# Audit and citation data items may have been added by the CCDC. \r\n# Please retain this information to preserve the provenance of \r\n# this file and to allow appropriate attribution of the data. \r\n# \r\n#######################################################################\r\n\r\ndata_r080122c\r\n_audit_block_doi 10.5517/ccthsqs\r\n_database_code_depnum_ccdc_archive 'CCDC 759956'\r\nloop_\r\n_citation_id\r\n_citation_doi\r\n_citation_year\r\n1 10.1039/C3NJ40909K 2013\r\n_audit_update_record \r\n;\r\n2009-12-30 deposited with the CCDC.\t2020-08-10 downloaded from the CCDC.\r\n;\r\n#TrackingRef '3.cif'\r\n\r\n\r\n_audit_creation_method SHELXL-97\r\n_chemical_name_systematic \r\n;\r\n?\r\n;\r\n_chemical_name_common ?\r\n_chemical_melting_point ?\r\n_chemical_formula_moiety ?\r\n_chemical_formula_sum 'C30 H20 S2'\r\n_chemical_formula_weight 444.58\r\n\r\nloop_\r\n_atom_type_symbol\r\n_atom_type_description\r\n_atom_type_scat_dispersion_real\r\n_atom_type_scat_dispersion_imag\r\n_atom_type_scat_source\r\nC C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nH H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nS S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\n\r\n_symmetry_cell_setting Monoclinic\r\n_symmetry_space_group_name_H-M P2(1)/c\r\n\r\nloop_\r\n_symmetry_equiv_pos_as_xyz\r\n'x, y, z'\r\n'-x, y+1/2, -z+1/2'\r\n'-x, -y, -z'\r\n'x, -y-1/2, z-1/2'\r\n\r\n_cell_length_a 6.1134(12)\r\n_cell_length_b 12.529(3)\r\n_cell_length_c 14.622(3)\r\n_cell_angle_alpha 90.00\r\n_cell_angle_beta 92.51(3)\r\n_cell_angle_gamma 90.00\r\n_cell_volume 1118.9(4)\r\n_cell_formula_units_Z 2\r\n_cell_measurement_temperature 113(2)\r\n_cell_measurement_reflns_used 3173\r\n_cell_measurement_theta_min 3.228\r\n_cell_measurement_theta_max 27.876\r\n\r\n_exptl_crystal_description ?\r\n_exptl_crystal_colour ?\r\n_exptl_crystal_size_max 0.12\r\n_exptl_crystal_size_mid 0.10\r\n_exptl_crystal_size_min 0.06\r\n_exptl_crystal_density_meas ?\r\n_exptl_crystal_density_diffrn 1.320\r\n_exptl_crystal_density_method 'not measured'\r\n_exptl_crystal_F_000 464\r\n_exptl_absorpt_coefficient_mu 0.254\r\n_exptl_absorpt_correction_type MULTI-SCAN\r\n_exptl_absorpt_correction_T_min 0.9702\r\n_exptl_absorpt_correction_T_max 0.9849\r\n_exptl_absorpt_process_details crystalclear\r\n\r\n_exptl_special_details \r\n;\r\n?\r\n;\r\n\r\n_diffrn_ambient_temperature 113(2)\r\n_diffrn_radiation_wavelength 0.71073\r\n_diffrn_radiation_type MoK\\a\r\n_diffrn_radiation_source 'rotating anode'\r\n_diffrn_radiation_monochromator confocal\r\n_diffrn_measurement_device_type 'rigaku saturn'\r\n_diffrn_measurement_method '\\w scans'\r\n_diffrn_detector_area_resol_mean ?\r\n_diffrn_standards_number 0\r\n_diffrn_standards_interval_count 0\r\n_diffrn_standards_interval_time 0\r\n_diffrn_standards_decay_% 0\r\n_diffrn_reflns_number 11099\r\n_diffrn_reflns_av_R_equivalents 0.0382\r\n_diffrn_reflns_av_sigmaI/netI 0.0251\r\n_diffrn_reflns_limit_h_min -7\r\n_diffrn_reflns_limit_h_max 7\r\n_diffrn_reflns_limit_k_min -14\r\n_diffrn_reflns_limit_k_max 14\r\n_diffrn_reflns_limit_l_min -17\r\n_diffrn_reflns_limit_l_max 17\r\n_diffrn_reflns_theta_min 3.23\r\n_diffrn_reflns_theta_max 25.02\r\n_reflns_number_total 1971\r\n_reflns_number_gt 1790\r\n_reflns_threshold_expression >2sigma(I)\r\n\r\n_computing_data_collection crystalclear\r\n_computing_cell_refinement crystalclear\r\n_computing_data_reduction crystalclear\r\n_computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)'\r\n_computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)'\r\n_computing_molecular_graphics 'Bruker SHELXTL'\r\n_computing_publication_material 'Bruker SHELXTL'\r\n\r\n_refine_special_details \r\n;\r\nRefinement of F^2^ against ALL reflections. The weighted R-factor wR and\r\ngoodness of fit S are based on F^2^, conventional R-factors R are based\r\non F, with F set to zero for negative F^2^. The threshold expression of\r\nF^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is\r\nnot relevant to the choice of reflections for refinement. R-factors based\r\non F^2^ are statistically about twice as large as those based on F, and R-\r\nfactors based on ALL data will be even larger.\r\n;\r\n\r\n_refine_ls_structure_factor_coef Fsqd\r\n_refine_ls_matrix_type full\r\n_refine_ls_weighting_scheme calc\r\n_refine_ls_weighting_details \r\n'calc w=1/[\\s^2^(Fo^2^)+(0.0608P)^2^+0.8557P] where P=(Fo^2^+2Fc^2^)/3'\r\n_atom_sites_solution_primary direct\r\n_atom_sites_solution_secondary difmap\r\n_atom_sites_solution_hydrogens geom\r\n_refine_ls_hydrogen_treatment CONSTR\r\n_refine_ls_extinction_method none\r\n_refine_ls_extinction_coef ?\r\n_refine_ls_number_reflns 1971\r\n_refine_ls_number_parameters 145\r\n_refine_ls_number_restraints 0\r\n_refine_ls_R_factor_all 0.0481\r\n_refine_ls_R_factor_gt 0.0444\r\n_refine_ls_wR_factor_ref 0.1179\r\n_refine_ls_wR_factor_gt 0.1151\r\n_refine_ls_goodness_of_fit_ref 1.103\r\n_refine_ls_restrained_S_all 1.103\r\n_refine_ls_shift/su_max 0.000\r\n_refine_ls_shift/su_mean 0.000\r\n\r\nloop_\r\n_atom_site_label\r\n_atom_site_type_symbol\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_U_iso_or_equiv\r\n_atom_site_adp_type\r\n_atom_site_occupancy\r\n_atom_site_symmetry_multiplicity\r\n_atom_site_calc_flag\r\n_atom_site_refinement_flags\r\n_atom_site_disorder_assembly\r\n_atom_site_disorder_group\r\nS1 S 0.22534(8) 0.53581(4) 0.40313(3) 0.0216(2) Uani 1 1 d . . .\r\nC1 C 0.2657(3) 0.40127(16) 0.43257(14) 0.0207(5) Uani 1 1 d . . .\r\nC2 C 0.4304(3) 0.34219(17) 0.38299(13) 0.0215(5) Uani 1 1 d . . .\r\nC3 C 0.6212(3) 0.39254(18) 0.35633(14) 0.0232(5) Uani 1 1 d . . .\r\nH3 H 0.6457 0.4635 0.3723 0.028 Uiso 1 1 calc R . .\r\nC4 C 0.7740(4) 0.33929(19) 0.30674(14) 0.0277(5) Uani 1 1 d . . .\r\nH4 H 0.9004 0.3742 0.2899 0.033 Uiso 1 1 calc R . .\r\nC5 C 0.7388(4) 0.23372(19) 0.28209(15) 0.0310(5) Uani 1 1 d . . .\r\nH5 H 0.8413 0.1974 0.2487 0.037 Uiso 1 1 calc R . .\r\nC6 C 0.5497(4) 0.18253(18) 0.30750(15) 0.0297(5) Uani 1 1 d . . .\r\nH6 H 0.5262 0.1116 0.2909 0.036 Uiso 1 1 calc R . .\r\nC7 C 0.3956(4) 0.23536(17) 0.35712(15) 0.0256(5) Uani 1 1 d . . .\r\nH7 H 0.2691 0.2002 0.3733 0.031 Uiso 1 1 calc R . .\r\nC8 C 0.1249(3) 0.36778(16) 0.49696(14) 0.0194(4) Uani 1 1 d . . .\r\nC9 C 0.1156(3) 0.25999(16) 0.53958(13) 0.0208(5) Uani 1 1 d . . .\r\nC10 C 0.2961(4) 0.21768(18) 0.58838(14) 0.0256(5) Uani 1 1 d . . .\r\nH10 H 0.4259 0.2564 0.5934 0.031 Uiso 1 1 calc R . .\r\nC11 C 0.2837(4) 0.11852(19) 0.62939(15) 0.0302(5) Uani 1 1 d . . .\r\nH11 H 0.4047 0.0913 0.6624 0.036 Uiso 1 1 calc R . .\r\nC12 C 0.0938(4) 0.05990(18) 0.62164(16) 0.0307(5) Uani 1 1 d . . .\r\nH12 H 0.0870 -0.0073 0.6484 0.037 Uiso 1 1 calc R . .\r\nC13 C -0.0885(4) 0.10163(18) 0.57352(15) 0.0279(5) Uani 1 1 d . . .\r\nH13 H -0.2178 0.0625 0.5686 0.034 Uiso 1 1 calc R . .\r\nC14 C -0.0777(3) 0.20061(17) 0.53320(14) 0.0237(5) Uani 1 1 d . . .\r\nH14 H -0.2002 0.2282 0.5014 0.028 Uiso 1 1 calc R . .\r\nC15 C 0.0176(3) 0.54750(16) 0.47789(14) 0.0204(5) Uani 1 1 d . . .\r\n\r\nloop_\r\n_atom_site_aniso_label\r\n_atom_site_aniso_U_11\r\n_atom_site_aniso_U_22\r\n_atom_site_aniso_U_33\r\n_atom_site_aniso_U_23\r\n_atom_site_aniso_U_13\r\n_atom_site_aniso_U_12\r\nS1 0.0254(3) 0.0195(3) 0.0202(3) 0.00227(19) 0.0029(2) 0.0018(2)\r\nC1 0.0244(11) 0.0188(10) 0.0185(10) 0.0013(8) -0.0020(8) 0.0011(8)\r\nC2 0.0260(11) 0.0232(11) 0.0150(10) 0.0015(8) -0.0037(8) 0.0063(9)\r\nC3 0.0260(11) 0.0250(11) 0.0179(10) 0.0017(8) -0.0040(8) 0.0003(9)\r\nC4 0.0249(11) 0.0378(13) 0.0202(11) 0.0017(9) -0.0011(9) 0.0026(10)\r\nC5 0.0325(13) 0.0377(13) 0.0227(11) -0.0050(10) 0.0002(9) 0.0090(10)\r\nC6 0.0400(13) 0.0234(12) 0.0252(12) -0.0050(9) -0.0028(10) 0.0069(10)\r\nC7 0.0292(12) 0.0234(11) 0.0237(11) 0.0000(9) -0.0033(9) 0.0014(9)\r\nC8 0.0221(10) 0.0158(10) 0.0196(10) -0.0030(8) -0.0054(8) 0.0036(8)\r\nC9 0.0262(11) 0.0196(10) 0.0168(10) -0.0024(8) 0.0017(8) 0.0038(8)\r\nC10 0.0279(11) 0.0245(12) 0.0240(11) 0.0000(9) -0.0035(9) 0.0035(9)\r\nC11 0.0340(13) 0.0308(13) 0.0250(12) 0.0015(10) -0.0052(9) 0.0093(10)\r\nC12 0.0443(14) 0.0222(11) 0.0259(12) 0.0028(9) 0.0053(10) 0.0072(10)\r\nC13 0.0302(12) 0.0258(12) 0.0283(12) -0.0039(9) 0.0060(9) -0.0022(9)\r\nC14 0.0259(11) 0.0222(11) 0.0230(11) -0.0010(9) 0.0005(9) 0.0049(9)\r\nC15 0.0226(11) 0.0211(10) 0.0175(10) 0.0004(8) -0.0003(8) 0.0006(8)\r\n\r\n_geom_special_details \r\n;\r\nAll esds (except the esd in the dihedral angle between two l.s. planes)\r\nare estimated using the full covariance matrix. The cell esds are taken\r\ninto account individually in the estimation of esds in distances, angles\r\nand torsion angles; correlations between esds in cell parameters are only\r\nused when they are defined by crystal symmetry. An approximate (isotropic)\r\ntreatment of cell esds is used for estimating esds involving l.s. planes.\r\n;\r\n\r\nloop_\r\n_geom_bond_atom_site_label_1\r\n_geom_bond_atom_site_label_2\r\n_geom_bond_distance\r\n_geom_bond_site_symmetry_2\r\n_geom_bond_publ_flag\r\nS1 C15 1.718(2) . ?\r\nS1 C1 1.755(2) . ?\r\nC1 C8 1.369(3) . ?\r\nC1 C2 1.467(3) . ?\r\nC2 C3 1.396(3) . ?\r\nC2 C7 1.405(3) . ?\r\nC3 C4 1.380(3) . ?\r\nC3 H3 0.9300 . ?\r\nC4 C5 1.385(3) . ?\r\nC4 H4 0.9300 . ?\r\nC5 C6 1.387(3) . ?\r\nC5 H5 0.9300 . ?\r\nC6 C7 1.383(3) . ?\r\nC6 H6 0.9300 . ?\r\nC7 H7 0.9300 . ?\r\nC8 C15 1.432(3) 3_566 ?\r\nC8 C9 1.490(3) . ?\r\nC9 C10 1.393(3) . ?\r\nC9 C14 1.396(3) . ?\r\nC10 C11 1.383(3) . ?\r\nC10 H10 0.9300 . ?\r\nC11 C12 1.374(3) . ?\r\nC11 H11 0.9300 . ?\r\nC12 C13 1.394(3) . ?\r\nC12 H12 0.9300 . ?\r\nC13 C14 1.376(3) . ?\r\nC13 H13 0.9300 . ?\r\nC14 H14 0.9300 . ?\r\nC15 C15 1.376(4) 3_566 ?\r\nC15 C8 1.431(3) 3_566 ?\r\n\r\nloop_\r\n_geom_angle_atom_site_label_1\r\n_geom_angle_atom_site_label_2\r\n_geom_angle_atom_site_label_3\r\n_geom_angle\r\n_geom_angle_site_symmetry_1\r\n_geom_angle_site_symmetry_3\r\n_geom_angle_publ_flag\r\nC15 S1 C1 91.47(10) . . ?\r\nC8 C1 C2 130.63(19) . . ?\r\nC8 C1 S1 112.17(15) . . ?\r\nC2 C1 S1 117.11(15) . . ?\r\nC3 C2 C7 118.3(2) . . ?\r\nC3 C2 C1 120.66(19) . . ?\r\nC7 C2 C1 121.0(2) . . ?\r\nC4 C3 C2 121.4(2) . . ?\r\nC4 C3 H3 119.3 . . ?\r\nC2 C3 H3 119.3 . . ?\r\nC3 C4 C5 119.8(2) . . ?\r\nC3 C4 H4 120.1 . . ?\r\nC5 C4 H4 120.1 . . ?\r\nC4 C5 C6 119.6(2) . . ?\r\nC4 C5 H5 120.2 . . ?\r\nC6 C5 H5 120.2 . . ?\r\nC7 C6 C5 120.9(2) . . ?\r\nC7 C6 H6 119.5 . . ?\r\nC5 C6 H6 119.5 . . ?\r\nC6 C7 C2 119.9(2) . . ?\r\nC6 C7 H7 120.0 . . ?\r\nC2 C7 H7 120.0 . . ?\r\nC1 C8 C15 110.95(18) . 3_566 ?\r\nC1 C8 C9 127.04(18) . . ?\r\nC15 C8 C9 121.99(18) 3_566 . ?\r\nC10 C9 C14 118.74(19) . . ?\r\nC10 C9 C8 121.03(19) . . ?\r\nC14 C9 C8 120.21(18) . . ?\r\nC11 C10 C9 120.5(2) . . ?\r\nC11 C10 H10 119.8 . . ?\r\nC9 C10 H10 119.8 . . ?\r\nC12 C11 C10 120.4(2) . . ?\r\nC12 C11 H11 119.8 . . ?\r\nC10 C11 H11 119.8 . . ?\r\nC11 C12 C13 119.7(2) . . ?\r\nC11 C12 H12 120.2 . . ?\r\nC13 C12 H12 120.2 . . ?\r\nC14 C13 C12 120.1(2) . . ?\r\nC14 C13 H13 119.9 . . ?\r\nC12 C13 H13 119.9 . . ?\r\nC13 C14 C9 120.5(2) . . ?\r\nC13 C14 H14 119.7 . . ?\r\nC9 C14 H14 119.7 . . ?\r\nC15 C15 C8 114.3(2) 3_566 3_566 ?\r\nC15 C15 S1 111.1(2) 3_566 . ?\r\nC8 C15 S1 134.59(16) 3_566 . ?\r\n\r\nloop_\r\n_geom_torsion_atom_site_label_1\r\n_geom_torsion_atom_site_label_2\r\n_geom_torsion_atom_site_label_3\r\n_geom_torsion_atom_site_label_4\r\n_geom_torsion\r\n_geom_torsion_site_symmetry_1\r\n_geom_torsion_site_symmetry_2\r\n_geom_torsion_site_symmetry_3\r\n_geom_torsion_site_symmetry_4\r\n_geom_torsion_publ_flag\r\nC15 S1 C1 C8 0.01(16) . . . . ?\r\nC15 S1 C1 C2 176.93(16) . . . . ?\r\nC8 C1 C2 C3 -148.4(2) . . . . ?\r\nS1 C1 C2 C3 35.3(2) . . . . ?\r\nC8 C1 C2 C7 34.8(3) . . . . ?\r\nS1 C1 C2 C7 -141.46(17) . . . . ?\r\nC7 C2 C3 C4 -0.7(3) . . . . ?\r\nC1 C2 C3 C4 -177.58(19) . . . . ?\r\nC2 C3 C4 C5 0.3(3) . . . . ?\r\nC3 C4 C5 C6 0.1(3) . . . . ?\r\nC4 C5 C6 C7 0.0(3) . . . . ?\r\nC5 C6 C7 C2 -0.4(3) . . . . ?\r\nC3 C2 C7 C6 0.8(3) . . . . ?\r\nC1 C2 C7 C6 177.63(19) . . . . ?\r\nC2 C1 C8 C15 -176.1(2) . . . 3_566 ?\r\nS1 C1 C8 C15 0.3(2) . . . 3_566 ?\r\nC2 C1 C8 C9 5.2(4) . . . . ?\r\nS1 C1 C8 C9 -178.39(16) . . . . ?\r\nC1 C8 C9 C10 59.3(3) . . . . ?\r\nC15 C8 C9 C10 -119.3(2) 3_566 . . . ?\r\nC1 C8 C9 C14 -122.4(2) . . . . ?\r\nC15 C8 C9 C14 59.0(3) 3_566 . . . ?\r\nC14 C9 C10 C11 0.2(3) . . . . ?\r\nC8 C9 C10 C11 178.52(19) . . . . ?\r\nC9 C10 C11 C12 0.7(3) . . . . ?\r\nC10 C11 C12 C13 -1.2(3) . . . . ?\r\nC11 C12 C13 C14 0.6(3) . . . . ?\r\nC12 C13 C14 C9 0.3(3) . . . . ?\r\nC10 C9 C14 C13 -0.7(3) . . . . ?\r\nC8 C9 C14 C13 -179.06(19) . . . . ?\r\nC1 S1 C15 C15 -0.3(2) . . . 3_566 ?\r\nC1 S1 C15 C8 -179.6(2) . . . 3_566 ?\r\n\r\n_diffrn_measured_fraction_theta_max 0.996\r\n_diffrn_reflns_theta_full 25.02\r\n_diffrn_measured_fraction_theta_full 0.996\r\n_refine_diff_density_max 1.100\r\n_refine_diff_density_min -0.375\r\n_refine_diff_density_rms 0.055\r\n" }, { "path": "pyxtal/database/cifs/YICMOP.cif", "content": "####################################################################### \r\n# \r\n# This file contains crystal structure data downloaded from the \r\n# Cambridge Structural Database (CSD) hosted by the Cambridge \r\n# Crystallographic Data Centre (CCDC).\r\n# \r\n# Full information about CCDC data access policies and citation \r\n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \r\n# \r\n# Audit and citation data items may have been added by the CCDC. \r\n# Please retain this information to preserve the provenance of \r\n# this file and to allow appropriate attribution of the data. \r\n# \r\n#######################################################################\r\n\r\ndata_171207_fpt_o\r\n_audit_block_doi 10.5517/ccdc.csd.cc1zqndr\r\n_database_code_depnum_ccdc_archive 'CCDC 1839025'\r\nloop_\r\n_citation_id\r\n_citation_doi\r\n_citation_year\r\n1 10.1039/C8TA03753A 2018\r\nloop_\r\n_audit_author_name\r\n_audit_author_address\r\n'Shuixing Li'\r\n;Zhejiang University\r\nChina\r\n;\r\n_audit_update_record \r\n;\r\n2018-04-23 deposited with the CCDC.\t2020-08-11 downloaded from the CCDC.\r\n;\r\n_audit_creation_date 2017-12-07\r\n_audit_creation_method \r\n;\r\nOlex2 1.2\r\n(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5381)\r\n;\r\n_shelx_SHELXL_version_number 2016/6\r\n_chemical_name_common ?\r\n_chemical_name_systematic ?\r\n_chemical_formula_moiety 'C16 H12 F2 O2 S2'\r\n_chemical_formula_sum 'C16 H12 F2 O2 S2'\r\n_chemical_formula_weight 338.38\r\n_chemical_melting_point ?\r\n_chemical_oxdiff_formula 'C H N O S'\r\nloop_\r\n_atom_type_symbol\r\n_atom_type_description\r\n_atom_type_scat_dispersion_real\r\n_atom_type_scat_dispersion_imag\r\n_atom_type_scat_source\r\nC C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nH H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nF F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nO O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nS S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\n\r\n_shelx_space_group_comment \r\n;\r\nThe symmetry employed for this shelxl refinement is uniquely defined\r\nby the following loop, which should always be used as a source of\r\nsymmetry information in preference to the above space-group names.\r\nThey are only intended as comments.\r\n;\r\n_space_group_crystal_system monoclinic\r\n_space_group_IT_number 14\r\n_space_group_name_H-M_alt 'P 1 21/n 1'\r\n_space_group_name_Hall '-P 2yn'\r\nloop_\r\n_space_group_symop_operation_xyz\r\n'x, y, z'\r\n'-x+1/2, y+1/2, -z+1/2'\r\n'-x, -y, -z'\r\n'x-1/2, -y-1/2, z-1/2'\r\n\r\n_cell_length_a 5.5646(6)\r\n_cell_length_b 6.9441(8)\r\n_cell_length_c 18.902(2)\r\n_cell_angle_alpha 90\r\n_cell_angle_beta 98.039(12)\r\n_cell_angle_gamma 90\r\n_cell_volume 723.22(15)\r\n_cell_formula_units_Z 2\r\n_cell_measurement_reflns_used 1412\r\n_cell_measurement_temperature 150\r\n_cell_measurement_theta_max 29.2899\r\n_cell_measurement_theta_min 3.1227\r\n_shelx_estimated_absorpt_T_max 0.962\r\n_shelx_estimated_absorpt_T_min 0.871\r\n_exptl_absorpt_coefficient_mu 0.394\r\n_exptl_absorpt_correction_T_max 1.00000\r\n_exptl_absorpt_correction_T_min 0.90430\r\n_exptl_absorpt_correction_type multi-scan\r\n_exptl_absorpt_process_details \r\n;\r\nCrysAlisPro, Agilent Technologies,\r\nVersion 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)\r\n(compiled May 16 2011,17:55:39)\r\nEmpirical absorption correction using spherical harmonics,\r\n implemented in SCALE3 ABSPACK scaling algorithm.\r\n;\r\n_exptl_absorpt_special_details ?\r\n_exptl_crystal_colour colourless\r\n_exptl_crystal_colour_primary colourless\r\n_exptl_crystal_density_diffrn 1.554\r\n_exptl_crystal_density_meas ?\r\n_exptl_crystal_density_method ?\r\n_exptl_crystal_description needle\r\n_exptl_crystal_F_000 348\r\n_exptl_crystal_size_max 0.36\r\n_exptl_crystal_size_mid 0.18\r\n_exptl_crystal_size_min 0.1\r\n_exptl_transmission_factor_max ?\r\n_exptl_transmission_factor_min ?\r\n_diffrn_reflns_av_R_equivalents 0.0446\r\n_diffrn_reflns_av_unetI/netI 0.0455\r\n_diffrn_reflns_Laue_measured_fraction_full 0.998\r\n_diffrn_reflns_Laue_measured_fraction_max 0.998\r\n_diffrn_reflns_limit_h_max 6\r\n_diffrn_reflns_limit_h_min -6\r\n_diffrn_reflns_limit_k_max 8\r\n_diffrn_reflns_limit_k_min -6\r\n_diffrn_reflns_limit_l_max 22\r\n_diffrn_reflns_limit_l_min -21\r\n_diffrn_reflns_number 4341\r\n_diffrn_reflns_point_group_measured_fraction_full 0.998\r\n_diffrn_reflns_point_group_measured_fraction_max 0.998\r\n_diffrn_reflns_theta_full 25.242\r\n_diffrn_reflns_theta_max 25.346\r\n_diffrn_reflns_theta_min 3.129\r\n_diffrn_ambient_temperature 150\r\n_diffrn_detector_area_resol_mean 10.3592\r\n_diffrn_measured_fraction_theta_full 0.998\r\n_diffrn_measured_fraction_theta_max 0.998\r\n_diffrn_measurement_details \r\n;\r\n#__ type_ start__ end____ width___ exp.time_\r\n 1 omega -43.00 32.00 1.0000 3.0000\r\nomega____ theta____ kappa____ phi______ frames\r\n - -11.4683 82.0000 162.0000 75\r\n\r\n#__ type_ start__ end____ width___ exp.time_\r\n 2 omega -89.00 19.00 1.0000 3.0000\r\nomega____ theta____ kappa____ phi______ frames\r\n - -11.4683 -77.0000 30.0000 108\r\n\r\n#__ type_ start__ end____ width___ exp.time_\r\n 3 omega -12.00 83.00 1.0000 3.0000\r\nomega____ theta____ kappa____ phi______ frames\r\n - 11.7808 38.0000 -30.0000 95\r\n;\r\n_diffrn_measurement_device_type 'Xcalibur, Atlas, Gemini ultra'\r\n_diffrn_measurement_method '\\w scans'\r\n_diffrn_orient_matrix_UB_11 -0.0849732000\r\n_diffrn_orient_matrix_UB_12 -0.0762612000\r\n_diffrn_orient_matrix_UB_13 -0.0066228000\r\n_diffrn_orient_matrix_UB_21 -0.0512797000\r\n_diffrn_orient_matrix_UB_22 0.0451494000\r\n_diffrn_orient_matrix_UB_23 -0.0322472000\r\n_diffrn_orient_matrix_UB_31 0.0820705000\r\n_diffrn_orient_matrix_UB_32 -0.0507383000\r\n_diffrn_orient_matrix_UB_33 -0.0187424000\r\n_diffrn_radiation_monochromator graphite\r\n_diffrn_radiation_type MoK\\a\r\n_diffrn_radiation_wavelength 0.71073\r\n_diffrn_source 'Enhance (Mo) X-ray Source'\r\n_reflns_Friedel_coverage 0.000\r\n_reflns_Friedel_fraction_full .\r\n_reflns_Friedel_fraction_max .\r\n_reflns_number_gt 1052\r\n_reflns_number_total 1326\r\n_reflns_odcompleteness_completeness 99.69\r\n_reflns_odcompleteness_iscentric 1\r\n_reflns_odcompleteness_theta 26.32\r\n_reflns_special_details \r\n;\r\n Reflections were merged by SHELXL according to the crystal\r\n class for the calculation of statistics and refinement.\r\n \r\n _reflns_Friedel_fraction is defined as the number of unique\r\n Friedel pairs measured divided by the number that would be\r\n possible theoretically, ignoring centric projections and\r\n systematic absences.\r\n;\r\n_reflns_threshold_expression 'I > 2\\s(I)'\r\n_computing_cell_refinement \r\n;\r\nCrysAlisPro, Agilent Technologies,\r\nVersion 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)\r\n(compiled May 16 2011,17:55:39)\r\n;\r\n_computing_data_collection \r\n;\r\nCrysAlisPro, Agilent Technologies,\r\nVersion 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)\r\n(compiled May 16 2011,17:55:39)\r\n;\r\n_computing_data_reduction \r\n;\r\nCrysAlisPro, Agilent Technologies,\r\nVersion 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)\r\n(compiled May 16 2011,17:55:39)\r\n;\r\n_computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)'\r\n_computing_publication_material 'Olex2 (Dolomanov et al., 2009)'\r\n_computing_structure_refinement 'ShelXL (Sheldrick, 2015)'\r\n_computing_structure_solution 'ShelXT (Sheldrick, 2015)'\r\n_refine_diff_density_max 0.350\r\n_refine_diff_density_min -0.323\r\n_refine_diff_density_rms 0.065\r\n_refine_ls_extinction_coef .\r\n_refine_ls_extinction_method none\r\n_refine_ls_goodness_of_fit_ref 1.059\r\n_refine_ls_hydrogen_treatment constr\r\n_refine_ls_matrix_type full\r\n_refine_ls_number_parameters 101\r\n_refine_ls_number_reflns 1326\r\n_refine_ls_number_restraints 0\r\n_refine_ls_R_factor_all 0.0605\r\n_refine_ls_R_factor_gt 0.0449\r\n_refine_ls_restrained_S_all 1.059\r\n_refine_ls_shift/su_max 0.000\r\n_refine_ls_shift/su_mean 0.000\r\n_refine_ls_structure_factor_coef Fsqd\r\n_refine_ls_weighting_details \r\n'w=1/[\\s^2^(Fo^2^)+(0.0454P)^2^+0.6891P] where P=(Fo^2^+2Fc^2^)/3'\r\n_refine_ls_weighting_scheme calc\r\n_refine_ls_wR_factor_gt 0.1040\r\n_refine_ls_wR_factor_ref 0.1151\r\n_refine_special_details ?\r\n_olex2_refinement_description \r\n;\r\n1. Fixed Uiso\r\n At 1.2 times of:\r\n All C(H) groups\r\n At 1.5 times of:\r\n All C(H,H,H) groups\r\n2.a Aromatic/amide H refined with riding coordinates:\r\n C1(H1), C2(H2), C3(H3)\r\n2.b Idealised Me refined as rotating group:\r\n C8(H8A,H8B,H8C)\r\n;\r\n_atom_sites_solution_hydrogens geom\r\n_atom_sites_solution_primary dual\r\n_atom_sites_solution_secondary ?\r\nloop_\r\n_atom_site_label\r\n_atom_site_type_symbol\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_U_iso_or_equiv\r\n_atom_site_adp_type\r\n_atom_site_occupancy\r\n_atom_site_site_symmetry_order\r\n_atom_site_calc_flag\r\n_atom_site_refinement_flags_posn\r\n_atom_site_refinement_flags_adp\r\n_atom_site_refinement_flags_occupancy\r\n_atom_site_disorder_assembly\r\n_atom_site_disorder_group\r\nS1 S 0.87928(14) 0.36755(12) 0.69599(4) 0.0361(3) Uani 1 1 d . . . . .\r\nF1 F 0.7303(3) 0.1706(2) 0.47265(8) 0.0288(4) Uani 1 1 d . . . . .\r\nO1 O 0.3882(3) 0.3033(3) 0.37282(9) 0.0241(5) Uani 1 1 d . . . . .\r\nC1 C 1.1403(6) 0.2406(4) 0.71533(17) 0.0365(8) Uani 1 1 d . . . . .\r\nH1 H 1.211257 0.208324 0.762493 0.044 Uiso 1 1 calc R . . . .\r\nC2 C 1.2358(5) 0.1906(4) 0.65633(17) 0.0349(7) Uani 1 1 d . . . . .\r\nH2 H 1.382931 0.120332 0.657869 0.042 Uiso 1 1 calc R . . . .\r\nC3 C 1.0969(5) 0.2523(4) 0.59171(14) 0.0214(6) Uani 1 1 d . . . . .\r\nH3 H 1.139058 0.229242 0.545452 0.026 Uiso 1 1 calc R . . . .\r\nC4 C 0.8880(5) 0.3523(4) 0.60527(14) 0.0232(6) Uani 1 1 d . . . . .\r\nC5 C 0.6911(5) 0.4285(4) 0.55247(14) 0.0208(6) Uani 1 1 d . . . . .\r\nC6 C 0.6201(5) 0.3379(4) 0.48725(14) 0.0216(6) Uani 1 1 d . . . . .\r\nC7 C 0.4381(5) 0.4038(4) 0.43583(13) 0.0209(6) Uani 1 1 d . . . . .\r\nC8 C 0.1991(6) 0.1629(4) 0.37483(16) 0.0352(7) Uani 1 1 d . . . . .\r\nH8A H 0.167357 0.097109 0.328593 0.053 Uiso 1 1 calc GR . . . .\r\nH8B H 0.050853 0.227400 0.384818 0.053 Uiso 1 1 calc GR . . . .\r\nH8C H 0.250283 0.068422 0.412459 0.053 Uiso 1 1 calc GR . . . .\r\n\r\nloop_\r\n_atom_site_aniso_label\r\n_atom_site_aniso_U_11\r\n_atom_site_aniso_U_22\r\n_atom_site_aniso_U_33\r\n_atom_site_aniso_U_23\r\n_atom_site_aniso_U_13\r\n_atom_site_aniso_U_12\r\nS1 0.0384(5) 0.0420(5) 0.0258(4) -0.0043(3) -0.0023(3) 0.0067(4)\r\nF1 0.0322(9) 0.0238(8) 0.0297(9) -0.0053(7) 0.0016(7) 0.0081(7)\r\nO1 0.0281(10) 0.0247(10) 0.0195(10) -0.0038(8) 0.0037(8) -0.0036(8)\r\nC1 0.0375(17) 0.0368(17) 0.0310(17) 0.0021(14) -0.0097(14) -0.0022(14)\r\nC2 0.0212(15) 0.0335(17) 0.049(2) 0.0041(15) 0.0006(14) -0.0012(13)\r\nC3 0.0186(13) 0.0215(14) 0.0234(14) 0.0027(11) -0.0002(10) -0.0006(11)\r\nC4 0.0255(15) 0.0199(14) 0.0236(15) 0.0012(11) 0.0018(11) -0.0051(11)\r\nC5 0.0220(14) 0.0199(13) 0.0206(13) 0.0025(11) 0.0035(11) -0.0017(11)\r\nC6 0.0223(14) 0.0175(13) 0.0255(15) -0.0003(11) 0.0053(11) 0.0019(11)\r\nC7 0.0249(14) 0.0214(13) 0.0174(13) -0.0013(11) 0.0061(11) -0.0055(11)\r\nC8 0.0437(19) 0.0315(16) 0.0307(17) -0.0067(13) 0.0056(14) -0.0128(14)\r\n\r\n_geom_special_details \r\n;\r\n All esds (except the esd in the dihedral angle between two l.s. planes)\r\n are estimated using the full covariance matrix. The cell esds are taken\r\n into account individually in the estimation of esds in distances, angles\r\n and torsion angles; correlations between esds in cell parameters are only\r\n used when they are defined by crystal symmetry. An approximate (isotropic)\r\n treatment of cell esds is used for estimating esds involving l.s. planes.\r\n;\r\nloop_\r\n_geom_bond_atom_site_label_1\r\n_geom_bond_atom_site_label_2\r\n_geom_bond_distance\r\n_geom_bond_site_symmetry_2\r\n_geom_bond_publ_flag\r\nS1 C1 1.695(3) . ?\r\nS1 C4 1.726(3) . ?\r\nF1 C6 1.360(3) . ?\r\nO1 C7 1.375(3) . ?\r\nO1 C8 1.439(3) . ?\r\nC1 H1 0.9500 . ?\r\nC1 C2 1.346(4) . ?\r\nC2 H2 0.9500 . ?\r\nC2 C3 1.417(4) . ?\r\nC3 H3 0.9500 . ?\r\nC3 C4 1.408(4) . ?\r\nC4 C5 1.474(4) . ?\r\nC5 C6 1.391(4) . ?\r\nC5 C7 1.402(4) 3_666 ?\r\nC6 C7 1.380(4) . ?\r\nC8 H8A 0.9800 . ?\r\nC8 H8B 0.9800 . ?\r\nC8 H8C 0.9800 . ?\r\n\r\nloop_\r\n_geom_angle_atom_site_label_1\r\n_geom_angle_atom_site_label_2\r\n_geom_angle_atom_site_label_3\r\n_geom_angle\r\n_geom_angle_site_symmetry_1\r\n_geom_angle_site_symmetry_3\r\n_geom_angle_publ_flag\r\nC1 S1 C4 92.29(14) . . ?\r\nC7 O1 C8 112.4(2) . . ?\r\nS1 C1 H1 123.8 . . ?\r\nC2 C1 S1 112.4(2) . . ?\r\nC2 C1 H1 123.8 . . ?\r\nC1 C2 H2 123.1 . . ?\r\nC1 C2 C3 113.9(3) . . ?\r\nC3 C2 H2 123.1 . . ?\r\nC2 C3 H3 124.5 . . ?\r\nC4 C3 C2 110.9(3) . . ?\r\nC4 C3 H3 124.5 . . ?\r\nC3 C4 S1 110.48(19) . . ?\r\nC3 C4 C5 127.5(2) . . ?\r\nC5 C4 S1 122.0(2) . . ?\r\nC6 C5 C4 122.0(2) . . ?\r\nC6 C5 C7 115.3(2) . 3_666 ?\r\nC7 C5 C4 122.7(2) 3_666 . ?\r\nF1 C6 C5 119.1(2) . . ?\r\nF1 C6 C7 116.6(2) . . ?\r\nC7 C6 C5 124.3(2) . . ?\r\nO1 C7 C5 120.8(2) . 3_666 ?\r\nO1 C7 C6 118.8(2) . . ?\r\nC6 C7 C5 120.4(2) . 3_666 ?\r\nO1 C8 H8A 109.5 . . ?\r\nO1 C8 H8B 109.5 . . ?\r\nO1 C8 H8C 109.5 . . ?\r\nH8A C8 H8B 109.5 . . ?\r\nH8A C8 H8C 109.5 . . ?\r\nH8B C8 H8C 109.5 . . ?\r\n\r\n_shelx_res_file \r\n;\r\nTITL 171207_fpt_o_a.res in P2(1)/n\r\n 171207_fpt_o.res\r\n created by SHELXL-2016/6 at 12:54:18 on 07-Dec-2017\r\nREM Old TITL 171207_FPT_O in P21/n #14\r\nREM SHELXT solution in P2(1)/n\r\nREM R1 0.137, Rweak 0.553, Alpha 0.015, Orientation as input\r\nREM Formula found by SHELXT: C8 O2 S\r\nCELL 0.71073 5.5646 6.9441 18.9022 90 98.039 90\r\nZERR 2 0.0006 0.0008 0.0024 0 0.012 0\r\nLATT 1\r\nSYMM 0.5-X,0.5+Y,0.5-Z\r\nSFAC C H F O S\r\nUNIT 32 24 4 4 4\r\n\r\nL.S. 6\r\nPLAN 20\r\nSIZE 0.1 0.18 0.36\r\nTEMP -123.15\r\nBOND $H\r\nhtab\r\nlist 4\r\nfmap 2\r\nacta\r\nSHEL 999 0.83\r\nREM \r\nREM \r\nREM \r\n\r\nWGHT 0.045400 0.689100\r\nFVAR 1.04322\r\nS1 5 0.879281 0.367555 0.695985 11.00000 0.03841 0.04205 =\r\n 0.02583 -0.00431 -0.00230 0.00671\r\nF1 3 0.730341 0.170568 0.472653 11.00000 0.03222 0.02378 =\r\n 0.02971 -0.00533 0.00155 0.00812\r\nO1 4 0.388158 0.303313 0.372816 11.00000 0.02812 0.02468 =\r\n 0.01947 -0.00379 0.00367 -0.00363\r\nC1 1 1.140310 0.240584 0.715325 11.00000 0.03752 0.03676 =\r\n 0.03102 0.00210 -0.00971 -0.00218\r\nAFIX 43\r\nH1 2 1.211257 0.208324 0.762493 11.00000 -1.20000\r\nAFIX 0\r\nC2 1 1.235801 0.190588 0.656330 11.00000 0.02117 0.03348 =\r\n 0.04869 0.00412 0.00065 -0.00115\r\nAFIX 43\r\nH2 2 1.382931 0.120332 0.657869 11.00000 -1.20000\r\nAFIX 0\r\nC3 1 1.096888 0.252288 0.591707 11.00000 0.01858 0.02148 =\r\n 0.02338 0.00271 -0.00021 -0.00063\r\nAFIX 43\r\nH3 2 1.139058 0.229242 0.545452 11.00000 -1.20000\r\nAFIX 0\r\nC4 1 0.888029 0.352310 0.605266 11.00000 0.02552 0.01995 =\r\n 0.02363 0.00119 0.00178 -0.00512\r\nC5 1 0.691060 0.428519 0.552469 11.00000 0.02199 0.01994 =\r\n 0.02061 0.00247 0.00347 -0.00170\r\nC6 1 0.620084 0.337920 0.487248 11.00000 0.02229 0.01748 =\r\n 0.02551 -0.00029 0.00525 0.00189\r\nC7 1 0.438110 0.403755 0.435833 11.00000 0.02488 0.02140 =\r\n 0.01743 -0.00131 0.00614 -0.00547\r\nC8 1 0.199084 0.162860 0.374832 11.00000 0.04368 0.03150 =\r\n 0.03067 -0.00665 0.00559 -0.01280\r\nAFIX 137\r\nH8A 2 0.167357 0.097109 0.328593 11.00000 -1.50000\r\nH8B 2 0.050853 0.227400 0.384818 11.00000 -1.50000\r\nH8C 2 0.250283 0.068422 0.412459 11.00000 -1.50000\r\nAFIX 0\r\nHKLF 4\r\n\r\n\r\n\r\n\r\nREM 171207_fpt_o_a.res in P2(1)/n\r\nREM R1 = 0.0449 for 1052 Fo > 4sig(Fo) and 0.0605 for all 1326 data\r\nREM 101 parameters refined using 0 restraints\r\n\r\nEND\r\n\r\nWGHT 0.0454 0.6909\r\n\r\nREM Instructions for potential hydrogen bonds\r\nEQIV $2 x-1/2, -y+1/2, z-1/2\r\nHTAB C8 S1_$2\r\nEQIV $3 x-1, y, z\r\nHTAB C8 F1_$3\r\n\r\nREM Highest difference peak 0.350, deepest hole -0.323, 1-sigma level 0.065\r\nQ1 1 0.9968 0.2482 0.5975 11.00000 0.05 0.35\r\nQ2 1 1.1793 0.2761 0.6144 11.00000 0.05 0.32\r\nQ3 1 1.1177 0.1983 0.6170 11.00000 0.05 0.31\r\nQ4 1 1.0895 0.2231 0.5777 11.00000 0.05 0.30\r\nQ5 1 1.0712 0.3385 0.7185 11.00000 0.05 0.24\r\nQ6 1 1.2268 0.2825 0.6829 11.00000 0.05 0.23\r\nQ7 1 0.3622 0.4641 0.3600 11.00000 0.05 0.22\r\nQ8 1 0.5858 0.4730 0.5672 11.00000 0.05 0.22\r\nQ9 1 1.2092 0.2579 0.7148 11.00000 0.05 0.21\r\nQ10 1 0.4607 0.3303 0.3384 11.00000 0.05 0.20\r\nQ11 1 0.0955 0.1993 0.2587 11.00000 0.05 0.19\r\nQ12 1 0.0868 0.1799 0.4145 11.00000 0.05 0.19\r\nQ13 1 0.3057 0.3589 0.3266 11.00000 0.05 0.19\r\nQ14 1 0.8349 0.3964 0.5794 11.00000 0.05 0.19\r\nQ15 1 1.1562 0.2135 0.7843 11.00000 0.05 0.18\r\nQ16 1 0.7082 0.4205 0.5183 11.00000 0.05 0.18\r\nQ17 1 0.8901 0.4859 0.7425 11.00000 0.05 0.17\r\nQ18 1 0.6723 0.5309 0.5482 11.00000 0.05 0.17\r\nQ19 1 0.1245 -0.1152 0.3159 11.00000 0.05 0.16\r\nQ20 1 1.1217 0.1581 0.6800 11.00000 0.05 0.16\r\n;\r\n_shelx_res_checksum 42163\r\n_shelx_hkl_file \r\n;\r\n 0 0 3 0.02 1.25\r\n 0 0 4 735.73 17.29\r\n 0 0 4 732.34 22.55\r\n 0 0 -5 -0.92 1.74\r\n 0 0 5 1.90 3.78\r\n 0 0 -6 262.93 12.55\r\n 0 0 6 247.94 16.13\r\n 0 0 7 -2.72 3.32\r\n 0 0 -7 -0.72 2.39\r\n 0 0 -8 96.73 8.86\r\n 0 0 8 99.64 12.30\r\n 0 0 9 4.91 4.50\r\n 0 0 9 -0.70 4.43\r\n 0 0 -9 1.22 2.09\r\n 0 0 -10 1105.90 33.33\r\n 0 0 10 1032.38 43.08\r\n 0 0 11 2.41 5.27\r\n 0 0 -11 8.56 3.91\r\n 0 0 -12 1770.04 45.43\r\n 0 0 12 1605.81 59.87\r\n 0 0 12 1657.40 60.06\r\n 0 0 -13 14.30 4.94\r\n 0 0 13 16.39 7.92\r\n 0 0 13 17.32 9.00\r\n 0 0 -14 2.40 1.94\r\n 0 0 14 3.02 4.90\r\n 0 0 14 -3.48 5.33\r\n 0 0 15 7.56 7.94\r\n 0 0 15 4.65 5.48\r\n 0 0 -15 0.99 2.54\r\n 0 0 -16 202.51 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18.68\r\n 6 2 4 54.27 16.85\r\n -6 2 -5 -5.78 7.52\r\n 6 2 5 7.89 7.32\r\n -6 2 -6 4.44 7.75\r\n 6 2 6 -12.45 8.94\r\n -6 2 -7 110.48 25.72\r\n 6 2 7 73.90 19.32\r\n 6 2 8 24.91 11.50\r\n 6 2 9 9.34 7.69\r\n 6 2 10 44.20 15.96\r\n 6 2 11 16.89 11.95\r\n -6 3 15 19.57 11.43\r\n -6 3 14 22.72 11.75\r\n -6 3 13 49.89 16.17\r\n -6 3 12 16.79 9.62\r\n 6 3 -11 174.05 30.84\r\n -6 3 11 165.63 27.71\r\n 6 3 -10 155.13 29.57\r\n -6 3 10 150.66 26.23\r\n 6 -3 -10 143.71 25.66\r\n 6 -3 -9 69.72 17.71\r\n -6 3 9 89.46 18.25\r\n 6 3 -9 66.00 19.74\r\n -6 3 9 91.20 20.28\r\n 6 3 -8 23.00 12.13\r\n -6 3 8 22.77 9.10\r\n 6 -3 -8 24.87 8.85\r\n -6 3 8 33.91 12.90\r\n -6 3 7 73.37 17.96\r\n -6 3 7 55.53 14.67\r\n 6 3 -7 70.08 19.55\r\n 6 -3 -7 56.46 14.82\r\n -6 3 6 -6.92 6.74\r\n -6 3 6 -2.11 6.01\r\n 6 -3 -6 -1.81 4.85\r\n 6 3 -6 2.99 6.21\r\n -6 3 5 98.76 20.42\r\n -6 3 5 83.05 16.55\r\n 6 -3 -5 52.70 14.09\r\n 6 3 -5 84.33 20.58\r\n -6 3 4 19.28 11.09\r\n 6 3 -4 25.79 11.95\r\n 6 -3 -4 27.36 9.88\r\n 6 3 -3 -4.08 6.05\r\n 6 -3 -3 -17.40 7.79\r\n -6 3 2 60.10 17.10\r\n 6 3 -2 77.80 20.80\r\n 6 -3 -2 54.03 12.83\r\n -6 3 1 83.36 20.84\r\n 6 3 -1 100.00 22.39\r\n -6 3 0 135.44 25.68\r\n 6 3 0 95.98 22.16\r\n -6 3 -1 64.27 17.26\r\n 6 3 1 113.39 23.72\r\n -6 3 -2 16.52 10.05\r\n 6 3 2 -2.51 6.98\r\n -6 3 -3 26.33 12.46\r\n 6 3 3 9.48 9.06\r\n -6 3 -4 96.69 22.57\r\n 6 3 4 92.31 22.12\r\n -6 3 -5 -4.77 7.66\r\n 6 3 5 -0.10 6.04\r\n -6 3 -6 -2.46 5.37\r\n 6 3 6 -1.92 5.82\r\n 6 3 7 29.92 12.73\r\n 6 3 8 21.64 11.48\r\n 6 3 10 6.49 8.83\r\n -6 4 14 14.35 10.44\r\n -6 4 13 15.49 10.50\r\n -6 4 12 40.64 14.17\r\n 6 4 -8 56.75 18.42\r\n -6 4 7 -9.01 5.93\r\n 6 4 -7 -9.01 9.06\r\n -6 4 6 24.70 10.21\r\n 6 4 -6 28.68 14.60\r\n -6 4 5 38.09 13.01\r\n 6 4 -5 42.38 14.80\r\n -6 4 4 34.59 12.87\r\n 6 4 -4 33.71 13.22\r\n -6 4 3 13.77 9.00\r\n 6 4 -3 9.89 6.21\r\n -6 4 2 140.01 25.96\r\n 6 4 -2 156.02 28.60\r\n -6 4 1 62.23 17.74\r\n 6 4 -1 25.17 12.28\r\n -6 4 0 -15.60 9.40\r\n 6 4 0 -6.12 7.12\r\n -6 4 -1 1.93 4.07\r\n 6 4 1 18.61 8.93\r\n -6 4 -2 73.89 19.84\r\n 6 4 2 74.55 19.94\r\n -6 4 -3 132.34 26.97\r\n 6 4 3 118.70 25.73\r\n -6 5 6 9.24 6.28\r\n -6 5 5 34.85 12.67\r\n -6 5 4 46.51 14.76\r\n -6 5 3 -4.26 6.37\r\n -6 5 2 55.70 16.67\r\n -6 5 1 31.48 13.12\r\n -6 5 0 141.72 27.42\r\n -6 5 -1 87.26 22.91\r\n 7 0 -9 118.70 25.98\r\n 7 0 -8 -0.92 4.09\r\n 7 0 -7 174.71 30.44\r\n 7 0 -6 -2.11 5.49\r\n 7 0 -5 8.73 7.60\r\n 7 0 -4 -14.20 9.58\r\n 7 0 -3 54.29 17.07\r\n 7 0 -2 -6.96 6.92\r\n 7 0 -1 39.95 13.95\r\n 7 0 0 -0.90 7.73\r\n 7 0 1 -0.90 3.97\r\n 7 0 2 -0.04 4.46\r\n 7 0 3 70.07 18.94\r\n 7 0 4 32.07 12.60\r\n 7 0 5 177.67 28.83\r\n 7 -1 -10 -18.12 10.85\r\n -7 1 9 25.27 10.90\r\n 7 -1 -9 45.65 15.73\r\n 7 -1 -8 50.24 16.30\r\n -7 1 8 88.19 20.52\r\n 7 1 -8 84.69 22.67\r\n -7 1 7 -6.14 6.40\r\n 7 1 -7 -6.84 7.78\r\n 7 -1 -7 2.47 5.68\r\n -7 1 6 18.88 10.64\r\n 7 -1 -6 24.21 11.51\r\n 7 1 -5 65.27 18.56\r\n -7 1 5 29.75 12.71\r\n 7 -1 -5 68.70 18.86\r\n 7 1 -4 20.94 11.15\r\n -7 1 4 24.06 11.25\r\n 7 1 -3 33.23 13.78\r\n -7 1 3 61.10 18.21\r\n 7 -1 -3 39.55 13.39\r\n -7 1 2 -3.45 5.63\r\n 7 -1 -2 8.54 11.39\r\n 7 1 -2 13.36 7.44\r\n 7 -1 -1 12.72 8.25\r\n 7 1 -1 16.64 10.21\r\n -7 1 0 40.19 14.61\r\n 7 -1 0 37.12 13.47\r\n 7 1 0 28.72 11.67\r\n 7 -1 1 25.58 11.01\r\n 7 1 1 13.85 9.16\r\n 7 1 2 22.76 10.28\r\n 7 1 3 11.11 8.44\r\n 7 1 4 39.68 14.74\r\n 7 1 5 61.87 19.26\r\n 7 1 6 6.42 7.84\r\n -7 2 12 -14.84 10.61\r\n 7 -2 -11 -15.92 8.92\r\n 7 -2 -10 26.40 13.27\r\n 7 -2 -9 14.37 9.61\r\n -7 2 8 30.92 11.79\r\n 7 -2 -8 72.03 18.92\r\n -7 2 7 -4.30 4.72\r\n 7 -2 -7 25.89 11.95\r\n -7 2 6 18.10 9.81\r\n 7 -2 -6 8.51 7.92\r\n -7 2 5 7.01 7.59\r\n 7 -2 -5 22.16 11.95\r\n 7 -2 -4 22.30 11.09\r\n -7 2 4 10.23 8.15\r\n 7 2 -3 2.07 6.14\r\n 7 -2 -3 -12.12 8.29\r\n -7 2 2 61.02 17.23\r\n 7 2 -2 73.68 20.74\r\n -7 2 1 1.94 5.40\r\n 7 2 -1 5.60 8.63\r\n 7 2 0 58.11 18.42\r\n 7 2 1 -5.66 8.36\r\n 7 -3 -9 -5.01 6.51\r\n -7 3 6 24.09 10.75\r\n -7 3 5 12.58 8.52\r\n -7 3 4 68.68 18.97\r\n -7 3 3 76.82 20.74\r\n -7 3 2 18.79 11.08\r\n 0 0 0 0.00 0.00\r\n\r\n_computing_structure_solution 'SHELXT 2014/5 (Sheldrick, 2014)'\r\n;\r\n_shelx_hkl_checksum 45405\r\n_olex2_submission_special_instructions 'No special instructions were received'\r\n" }, { "path": "pyxtal/database/cifs/__init__.py", "content": "" }, { "path": "pyxtal/database/cifs/anthracene.cif", "content": "\n#######################################################################\n#\n# Cambridge Crystallographic Data Centre\n# CCDC \n#\n#######################################################################\n#\n# If this CIF has been generated from an entry in the Cambridge \n# Structural Database, then it will include bibliographic, chemical, \n# crystal, experimental, refinement or atomic coordinate data resulting \n# from the CCDC's data processing and validation procedures.\n#\n#######################################################################\n\ndata_ANTCEN24\n_symmetry_cell_setting monoclinic\n_symmetry_space_group_name_H-M 'P 21/c'\n_symmetry_Int_Tables_number 14\n_space_group_name_Hall '-P 2ybc'\nloop_\n_symmetry_equiv_pos_site_id\n_symmetry_equiv_pos_as_xyz\n1 x,y,z\n2 -x,1/2+y,1/2-z\n3 -x,-y,-z\n4 x,1/2-y,1/2+z\n_cell_length_a 9.3056(6)\n_cell_length_b 5.9879(3)\n_cell_length_c 8.4252(5)\n_cell_angle_alpha 90\n_cell_angle_beta 102.620(6)\n_cell_angle_gamma 90\n_cell_volume 458.119\nloop_\n_atom_site_label\n_atom_site_type_symbol\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\n_atom_site_U_iso_or_equiv\n_atom_site_thermal_displace_type\nC1 C 0.58950(11) 0.36625(19) 0.62036(13) 0.0215 Uani\nC2 C 0.68314(13) 0.2371(2) 0.74332(13) 0.0256 Uani\nH1 H 0.6486(14) 0.094(3) 0.7692(16) 0.0290 Uiso\nC3 C 0.81698(14) 0.3147(2) 0.82163(15) 0.0304 Uani\nH2 H 0.8792(18) 0.222(3) 0.903(2) 0.0430 Uiso\nC4 C 0.86753(14) 0.5265(2) 0.78125(15) 0.0310 Uani\nH3 H 0.9696(16) 0.579(2) 0.8432(16) 0.0330 Uiso\nC5 C 0.78184(13) 0.6554(2) 0.66477(14) 0.0263 Uani\nH4 H 0.8154(14) 0.807(3) 0.6335(17) 0.0360 Uiso\nC6 C 0.63965(12) 0.5817(2) 0.58077(12) 0.0215 Uani\nC7 C 0.54864(12) 0.71035(19) 0.46170(13) 0.0224 Uani\nH5 H 0.5853(15) 0.856(2) 0.4363(15) 0.0240 Uiso\nloop_\n_atom_site_aniso_label\n_atom_site_aniso_U_11\n_atom_site_aniso_U_22\n_atom_site_aniso_U_33\n_atom_site_aniso_U_23\n_atom_site_aniso_U_13\n_atom_site_aniso_U_12\nC1 0.0233(6) 0.0226(6) 0.0199(6) -0.0010(4) 0.0075(4) 0.0014(4)\nC2 0.0287(6) 0.0245(6) 0.0246(6) 0.0032(5) 0.0079(5) 0.0028(5)\nC3 0.0278(7) 0.0369(7) 0.0253(6) 0.0036(5) 0.0033(5) 0.0062(5)\nC4 0.0243(6) 0.0386(8) 0.0290(6) -0.0036(5) 0.0033(4) -0.0007(5)\nC5 0.0250(6) 0.0271(7) 0.0270(6) -0.0029(5) 0.0062(4) -0.0026(5)\nC6 0.0227(6) 0.0226(6) 0.0203(6) -0.0031(4) 0.0073(4) -0.0003(4)\nC7 0.0260(6) 0.0205(6) 0.0221(6) -0.0009(5) 0.0083(4) -0.0012(5)\n#END\n" }, { "path": "pyxtal/database/cifs/aspirin-c.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 0.2.0)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at University of Nevada Las Vegas #\n#############################################################\ndata_from_pyxtal\n#Energy: -18.62258295 eV/cell\n\n_symmetry_space_group_name_H-M 'P21/c'\n_symmetry_Int_Tables_number 14\n_symmetry_cell_setting monoclinic\n_cell_length_a 6.236361\n_cell_length_b 16.898537\n_cell_length_c 10.389847\n_cell_angle_alpha 90.000000\n_cell_angle_beta 53.698230\n_cell_angle_gamma 90.000000\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x, y+1/2, -z+1/2'\n3 '-x, -y, -z'\n4 'x, -y+1/2, z+1/2'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nC C 4 0.637000 0.654000 0.485000 1\nC C 4 0.615000 0.743000 0.484000 1\nO O 4 0.787000 0.786000 0.377000 1\nO O 4 0.391000 0.770000 0.623000 1\nC C 4 0.324000 0.848000 0.655000 1\nC C 4 0.331000 0.883000 0.776000 1\nC C 4 0.270000 0.963000 0.815000 1\nC C 4 0.199000 1.009000 0.734000 1\nC C 4 0.192000 0.975000 0.613000 1\nC C 4 0.251000 0.894000 0.574000 1\nC C 4 0.236000 0.861000 0.445000 1\nO O 4 0.256000 0.901000 0.341000 1\nO O 4 0.133000 0.789000 0.469000 1\nH H 4 0.723000 0.638000 0.547000 1\nH H 4 0.439000 0.627000 0.546000 1\nH H 4 0.762000 0.632000 0.362000 1\nH H 4 0.388000 0.846000 0.837000 1\nH H 4 0.281000 0.989000 0.906000 1\nH H 4 0.155000 1.072000 0.761000 1\nH H 4 0.143000 1.012000 0.548000 1\nH H 4 0.097000 0.790000 0.389000 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/aspirin.cif", "content": "####################################################################### \n# \n# This file contains crystal structure data downloaded from the \n# Cambridge Structural Database (CSD) hosted by the Cambridge \n# Crystallographic Data Centre (CCDC).\n# \n# Full information about CCDC data access policies and citation \n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \n# \n# Audit and citation data items may have been added by the CCDC. \n# Please retain this information to preserve the provenance of \n# this file and to allow appropriate attribution of the data. \n# \n#######################################################################\n\ndata_asp100\n_audit_block_doi 10.5517/cc66zzb\n_database_code_depnum_ccdc_archive 'CCDC 185472'\nloop_\n_citation_id\n_citation_doi\n_citation_year\n1 10.1039/b203379h 2003\n_audit_update_record \n;\n2002-05-09 deposited with the CCDC. 2020-02-22 downloaded from the CCDC.\n;\n\n_audit_creation_method SHELXL-97\n_chemical_name_systematic \n;\n2-(acetoyloxy)benzoic acid\n;\n_chemical_name_common Aspirin\n_chemical_formula_sum 'C9 H8 O4'\n_chemical_formula_weight 180.16\n\nloop_\n_atom_type_symbol\n_atom_type_description\n_atom_type_scat_length_neutron\n_atom_type_scat_source\nC C 6.646 'International Tables Vol C Table 4.4.4.1'\nH H -3.739 'International Tables Vol C Table 4.4.4.1'\nO O 5.803 'International Tables Vol C Table 4.4.4.1'\n\n_symmetry_cell_setting Monoclinic\n_symmetry_space_group_name_H-M P21/c\n\nloop_\n_symmetry_equiv_pos_as_xyz\n'x, y, z'\n'-x, y+1/2, -z+1/2'\n'-x, -y, -z'\n'x, -y-1/2, z-1/2'\n\n_cell_length_a 11.233(3)\n_cell_length_b 6.5440(10)\n_cell_length_c 11.231(3)\n_cell_angle_alpha 90.00\n_cell_angle_beta 95.89(2)\n_cell_angle_gamma 90.00\n_cell_volume 821.2(3)\n_cell_formula_units_Z 4\n\n_cell_measurement_temperature 100(1)\n_cell_measurement_reflns_used 25\n_cell_measurement_theta_min ?\n\n_exptl_crystal_description 'irregular prism'\n_exptl_crystal_colour colourless\n_exptl_crystal_size_max 8\n_exptl_crystal_size_mid 4\n_exptl_crystal_size_min 1.5\n_exptl_crystal_density_meas ?\n_exptl_crystal_density_diffrn 1.456\n_exptl_crystal_density_method 'not measured'\n_exptl_crystal_F_000 21\n_exptl_absorpt_coefficient_mu '1.0550, at 1 Angstrom'\n_exptl_absorpt_correction_type empirical\n_exptl_absorpt_correction_T_min 0.45\n_exptl_absorpt_correction_T_max 0.75\n_exptl_absorpt_process_details \n;\nThe linear absorption coefficient is wavelength dependent\nand it is calculated as:\nmu = 0.80 + 0.75 * lambda [cm^-1]\n;\n\n_exptl_special_details \n;\nFor peak integration a local UB matrix refined for each frame,\nusing approximately 25 reflections.\nHence _cell_measurement_reflns_used 25\n\nFor final cell dimensions an average of all local\ncells was performed and estimated standard uncertainties\nwere obtained from the spread of the local observations\n\nBecause of the nature of the experiment, it is not possible to give values of\ntheta_min and theta_max for the cell determination.\n\nInstead, we can give values of\n\n#_cell_measurement_sin(theta)/lambda_min 0.20\n#_cell_measurement_sin(theta)/lambda_max 0.75\n\nThe same applies for the wavelength used for the experiment.\nThe range of wavelengths used was 0.5-5.0 Angstroms,\nBUT the bulk of the diffraction information is obtained from\nwavelengths in the range 0.7-2.5 Angstroms.\n\nThe data collection procedures on the SXD instrument used\nfor the single crystal neutron data collection are most\nrecently summarised in the Appendix to the following paper\nWilson, C.C. (1997). J. Mol. Struct. 405, 207-217.\n;\n\n_diffrn_ambient_temperature 100(2)\n_diffrn_radiation_wavelength 0.5-5.0\n_diffrn_radiation_type neutron\n_diffrn_radiation_source 'ISIS spallation source'\n_diffrn_measurement_device SXD\n_diffrn_measurement_method 'time-of-flight LAUE diffraction'\n_diffrn_reflns_number 3971\n_diffrn_reflns_av_R_equivalents 0.068\n_diffrn_reflns_av_sigmaI/netI 0.0414\n_diffrn_reflns_limit_h_min 0\n_diffrn_reflns_limit_h_max 24\n_diffrn_reflns_limit_k_min 0\n_diffrn_reflns_limit_k_max 14\n_diffrn_reflns_limit_l_min -16\n_diffrn_reflns_limit_l_max 18\n_diffrn_reflns_theta_min ?\n_diffrn_reflns_theta_max ?\n_reflns_number_total 1151\n_reflns_number_gt 1151\n_reflns_threshold_expression >2sigma(I)\n\n_computing_data_collection ?\n_computing_cell_refinement ?\n_computing_data_reduction ?\n_computing_structure_solution ?\n_computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)'\n_computing_molecular_graphics 'ORTEP (Johnson, 1994)'\n_computing_publication_material ?\n\n_refine_special_details \n;\nThese data are by no means complete.\nThey were collected in a very restricted geometry due\nto the microwave apparatus also installed at the time.\nThe data/parameter ratio is also rather small, however\nthe refinements are stable and supportive of the\nobservations presented in the paper.\n\nThe microwave source was switched OFF for these data.\n\nThe variable wavelength nature of the data collection\nprocedure means that sensible values of\n#_diffrn_reflns_theta_min & _diffrn_reflns_theta_max\ncannot be given\n\nIt is also difficult to estimate realistic values of\nmaximum sin(theta)/lambda values for two reasons:\n(i) Different sin(theta)/lambda ranges are accessed\nin different parts of the detectors\n(ii) The nature of the data collection occasionally\nallows some reflections at very high sin(theta)/lambda\nto be observed even when no real attempt has been\nmade to measure data in this region.\n\nHowever, we can attempt to estimate the sin(theta)/lambda limits as follows:\n\n#_diffrn_reflns_sin(theta)/lambda_min 0.05\n#_diffrn_reflns_sin(theta)/lambda_max 0.75\n\nNote also that reflections for which the standard profile fitting integration\nprocedure fails are excluded from the data set, thus resulting in a high\nelimination rate of weak or \"unobserved\" peaks from the final data set.\n\nThe extinction coefficient reported in _refine_ls_extinction_coef is in this\ncase the refined value of the mosaic spread in units of 10^-4 rad^-1\nThe reference for the extinction method used is:\nBecker, P. & Coppens, P. (1974). Acta Cryst. A30, 129-148.\n\nRefinement of F^2^ against ALL reflections. The weighted R-factor wR and\ngoodness of fit S are based on F^2^, conventional R-factors R are based\non F, with F set to zero for negative F^2^. The threshold expression of\nF^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is\nnot relevant to the choice of reflections for refinement. R-factors based\non F^2^ are statistically about twice as large as those based on F, and R-\nfactors based on ALL data will be even larger.\n;\n\n_refine_ls_structure_factor_coef Fsqd\n_refine_ls_matrix_type full\n_refine_ls_weighting_scheme calc\n_refine_ls_weighting_details \n'calc w=1/[\\s^2^(Fo^2^)+(0.0763P)^2^+0.3996P] where P=(Fo^2^+2Fc^2^)/3'\n_refine_ls_hydrogen_treatment refall\n_refine_ls_extinction_method 'Becker-Coppens Lorentzian model'\n_refine_ls_extinction_coef 0.06\n_refine_ls_number_reflns 1151\n_refine_ls_number_parameters 190\n_refine_ls_number_restraints 0\n_refine_ls_R_factor_all 0.0958\n_refine_ls_R_factor_gt 0.0958\n_refine_ls_wR_factor_ref 0.2369\n_refine_ls_wR_factor_gt 0.2369\n_refine_ls_goodness_of_fit_ref 1.468\n_refine_ls_restrained_S_all 1.468\n_refine_ls_shift/su_max 0.001\n_refine_ls_shift/su_mean 0.000\n\nloop_\n_atom_site_label\n_atom_site_type_symbol\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\n_atom_site_U_iso_or_equiv\n_atom_site_adp_type\n_atom_site_occupancy\n_atom_site_symmetry_multiplicity\n_atom_site_calc_flag\n_atom_site_refinement_flags\n_atom_site_disorder_assembly\n_atom_site_disorder_group\nC1 C 0.1537(4) 0.5603(6) 0.0665(6) 0.0115(9) Uani 1 1 d . . .\nC2 C 0.2473(4) 0.4838(6) 0.0088(5) 0.0118(10) Uani 1 1 d . . .\nC3 C 0.2998(4) 0.2977(7) 0.0414(7) 0.0174(12) Uani 1 1 d . . .\nC4 C 0.2609(4) 0.1876(7) 0.1352(7) 0.0199(12) Uani 1 1 d . . .\nC5 C 0.1686(4) 0.2620(7) 0.1942(7) 0.0174(12) Uani 1 1 d . . .\nC6 C 0.1158(4) 0.4463(7) 0.1614(6) 0.0158(11) Uani 1 1 d . . .\nC7 C 0.0903(4) 0.7562(7) 0.0372(5) 0.0113(9) Uani 1 1 d . . .\nC8 C 0.3674(4) 0.7373(7) -0.0623(6) 0.0137(10) Uani 1 1 d . . .\nC9 C 0.3993(5) 0.8399(9) -0.1740(7) 0.0214(12) Uani 1 1 d . . .\nO1 O 0.1235(5) 0.8590(10) -0.0527(9) 0.0201(15) Uani 1 1 d . . .\nO2 O 0.0098(6) 0.8130(9) 0.0966(8) 0.0205(13) Uani 1 1 d . . .\nO3 O 0.2886(5) 0.5827(8) -0.0890(7) 0.0136(11) Uani 1 1 d . . .\nO4 O 0.4029(6) 0.7815(11) 0.0367(8) 0.0248(16) Uani 1 1 d . . .\nH1 H 0.3698(11) 0.2377(19) -0.0095(17) 0.035(3) Uani 1 1 d . . .\nH2 H 0.3016(12) 0.0396(16) 0.1593(16) 0.033(3) Uani 1 1 d . . .\nH3 H 0.1406(11) 0.174(2) 0.2688(19) 0.040(4) Uani 1 1 d . . .\nH4 H 0.0433(10) 0.507(2) 0.2083(16) 0.031(3) Uani 1 1 d . . .\nH5 H 0.4618(18) 0.960(3) -0.145(3) 0.059(6) Uani 1 1 d . . .\nH6 H 0.3200(16) 0.897(5) -0.224(3) 0.088(12) Uani 1 1 d . . .\nH7 H 0.434(3) 0.735(4) -0.240(3) 0.072(7) Uani 1 1 d . . .\nH8 H 0.0713(10) 0.9855(18) -0.0642(15) 0.030(3) Uani 1 1 d . . .\n\nloop_\n_atom_site_aniso_label\n_atom_site_aniso_U_11\n_atom_site_aniso_U_22\n_atom_site_aniso_U_33\n_atom_site_aniso_U_23\n_atom_site_aniso_U_13\n_atom_site_aniso_U_12\nC1 0.0116(13) 0.0103(15) 0.013(3) 0.0003(14) 0.0039(19) 0.0000(11)\nC2 0.0125(14) 0.0133(17) 0.010(3) -0.0038(14) 0.0035(19) 0.0000(11)\nC3 0.0186(17) 0.0144(19) 0.020(4) -0.0003(18) 0.007(2) 0.0048(13)\nC4 0.0183(18) 0.0138(19) 0.028(4) 0.0034(19) 0.006(2) 0.0039(13)\nC5 0.0132(15) 0.0177(19) 0.022(4) 0.0047(19) 0.006(2) 0.0016(13)\nC6 0.0143(15) 0.0155(18) 0.018(3) 0.0037(17) 0.005(2) 0.0013(13)\nC7 0.0127(14) 0.0126(18) 0.009(3) 0.0005(15) 0.0044(17) 0.0025(11)\nC8 0.0103(13) 0.0199(19) 0.012(3) -0.0024(17) 0.0050(18) -0.0027(12)\nC9 0.023(2) 0.029(3) 0.013(4) 0.003(2) 0.006(3) -0.0061(17)\nO1 0.0166(19) 0.022(2) 0.023(5) 0.008(2) 0.006(3) 0.0058(16)\nO2 0.025(2) 0.018(2) 0.021(4) 0.006(2) 0.012(3) 0.0093(17)\nO3 0.0163(18) 0.014(2) 0.011(3) -0.0052(18) 0.002(2) -0.0008(14)\nO4 0.027(3) 0.032(3) 0.015(5) -0.007(3) 0.006(3) -0.013(2)\nH1 0.033(5) 0.031(6) 0.040(10) 0.001(5) 0.005(6) 0.010(4)\nH2 0.047(6) 0.018(4) 0.036(10) 0.009(4) 0.010(7) 0.011(4)\nH3 0.028(5) 0.041(6) 0.052(12) 0.030(7) 0.009(7) 0.007(4)\nH4 0.027(4) 0.039(6) 0.028(9) 0.006(5) 0.009(6) 0.004(4)\nH5 0.062(9) 0.054(10) 0.063(19) -0.002(9) 0.017(12) -0.026(7)\nH6 0.040(8) 0.115(18) 0.10(3) 0.081(19) -0.030(12) -0.016(9)\nH7 0.13(2) 0.072(14) 0.024(15) -0.007(9) 0.045(15) -0.004(12)\nH8 0.031(4) 0.030(5) 0.031(9) 0.009(5) 0.009(6) 0.009(4)\n\n_geom_special_details \n;\nAll esds (except the esd in the dihedral angle between two l.s. planes)\nare estimated using the full covariance matrix. The cell esds are taken\ninto account individually in the estimation of esds in distances, angles\nand torsion angles; correlations between esds in cell parameters are only\nused when they are defined by crystal symmetry. An approximate (isotropic)\ntreatment of cell esds is used for estimating esds involving l.s. planes.\n;\n\nloop_\n_geom_bond_atom_site_label_1\n_geom_bond_atom_site_label_2\n_geom_bond_distance\n_geom_bond_site_symmetry_2\n_geom_bond_publ_flag\nC1 C2 1.385(7) . ?\nC1 C6 1.402(9) . ?\nC1 C7 1.487(6) . ?\nC2 C3 1.386(6) . ?\nC2 O3 1.394(10) . ?\nC3 C4 1.384(10) . ?\nC3 H1 1.091(16) . ?\nC4 C5 1.376(9) . ?\nC4 H2 1.093(11) . ?\nC5 C6 1.377(7) . ?\nC5 H3 1.091(17) . ?\nC6 H4 1.089(16) . ?\nC7 O2 1.235(9) . ?\nC7 O1 1.299(10) . ?\nC8 O4 1.177(11) . ?\nC8 O3 1.358(7) . ?\nC8 C9 1.499(10) . ?\nC9 H5 1.083(18) . ?\nC9 H6 1.069(17) . ?\nC9 H7 1.11(3) . ?\nO1 H8 1.016(12) . ?\n\nloop_\n_geom_angle_atom_site_label_1\n_geom_angle_atom_site_label_2\n_geom_angle_atom_site_label_3\n_geom_angle\n_geom_angle_site_symmetry_1\n_geom_angle_site_symmetry_3\n_geom_angle_publ_flag\nC2 C1 C6 117.9(4) . . ?\nC2 C1 C7 125.3(5) . . ?\nC6 C1 C7 116.8(4) . . ?\nC1 C2 C3 121.1(5) . . ?\nC1 C2 O3 122.1(5) . . ?\nC3 C2 O3 116.7(5) . . ?\nC4 C3 C2 120.0(5) . . ?\nC4 C3 H1 120.8(9) . . ?\nC2 C3 H1 119.2(10) . . ?\nC5 C4 C3 119.7(5) . . ?\nC5 C4 H2 120.7(11) . . ?\nC3 C4 H2 119.6(10) . . ?\nC4 C5 C6 120.4(6) . . ?\nC4 C5 H3 118.2(9) . . ?\nC6 C5 H3 121.3(9) . . ?\nC5 C6 C1 120.9(5) . . ?\nC5 C6 H4 120.8(9) . . ?\nC1 C6 H4 118.3(8) . . ?\nO2 C7 O1 123.3(5) . . ?\nO2 C7 C1 120.0(5) . . ?\nO1 C7 C1 116.7(5) . . ?\nO4 C8 O3 122.8(7) . . ?\nO4 C8 C9 126.4(6) . . ?\nO3 C8 C9 110.8(6) . . ?\nC8 C9 H5 105.8(16) . . ?\nC8 C9 H6 109.5(15) . . ?\nH5 C9 H6 113(2) . . ?\nC8 C9 H7 114.4(15) . . ?\nH5 C9 H7 113(2) . . ?\nH6 C9 H7 101(3) . . ?\nC7 O1 H8 108.2(11) . . ?\nC8 O3 C2 115.7(6) . . ?\n\n_refine_diff_density_max 0.174\n_refine_diff_density_min -0.169\n_refine_diff_density_rms 0.041\n" }, { "path": "pyxtal/database/cifs/benzene.cif", "content": "\n#######################################################################\n#\n# Cambridge Crystallographic Data Centre\n# CCDC \n#\n#######################################################################\n#\n# If this CIF has been generated from an entry in the Cambridge \n# Structural Database, then it will include bibliographic, chemical, \n# crystal, experimental, refinement or atomic coordinate data resulting \n# from the CCDC's data processing and validation procedures.\n#\n#######################################################################\n\ndata_BENZEN\n_symmetry_cell_setting orthorhombic\n_symmetry_space_group_name_H-M 'P b c a'\n_symmetry_Int_Tables_number 61\n_space_group_name_Hall '-P 2ac 2ab'\nloop_\n_symmetry_equiv_pos_site_id\n_symmetry_equiv_pos_as_xyz\n1 x,y,z\n2 1/2-x,-y,1/2+z\n3 1/2+x,1/2-y,-z\n4 -x,1/2+y,1/2-z\n5 -x,-y,-z\n6 1/2+x,y,1/2-z\n7 1/2-x,1/2+y,z\n8 x,1/2-y,1/2+z\n_cell_length_a 7.440\n_cell_length_b 9.550\n_cell_length_c 6.920\n_cell_angle_alpha 90\n_cell_angle_beta 90\n_cell_angle_gamma 90\n_cell_volume 491.68\nloop_\n_atom_site_label\n_atom_site_type_symbol\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\nC1 C -0.05690 0.13870 -0.00540\nC2 C -0.13350 0.04600 0.12640\nC3 C 0.07740 0.09250 -0.12950\nH1 H -0.09760 0.24470 -0.01770\nH2 H -0.24090 0.07940 0.22180\nH3 H 0.13710 0.16310 -0.23120\n\n#END\n" }, { "path": "pyxtal/database/cifs/bug.vasp", "content": " C \n 1.0000000000000000\n 2.5647769999999999 0.0000000000000002 0.0000000000000002\n 0.0000000000000000 4.1088129999999996 0.0000000000000003\n 0.0000000000000000 0.0000000000000000 9.6028400000000005\n C \n 8\nDirect\n 0.0000000000000000 0.0000000000000000 0.2725510000000000\n 0.5000000000000000 0.5000000000000000 0.7150860000000000\n 0.0000000000000000 0.0000000000000000 0.7150860000000000\n 0.5000000000000000 0.5000000000000000 0.2849140000000000\n 0.5000000000000000 0.0000000000000000 0.7849139999999998\n 0.0000000000000000 0.5000000000000000 0.2150860000000000\n 0.5000000000000000 0.0000000000000000 0.2027230000000000\n 0.0000000000000000 0.5000000000000000 0.7849139999999998\n" }, { "path": "pyxtal/database/cifs/c_bug.vasp", "content": "C \n 1.0000000000000000\n 4.1896699999999996 0.0000000000000003 0.0000000000000003\n 0.0000000000000000 5.9243990000000002 0.0000000000000004\n 0.0000000000000000 0.0000000000000000 5.9243949999999996\n C \n 16\nCartesian\n 3.1422524999999997 0.7405202530050002 1.4810987500000001\n -3.1422524999999997 -0.7405202530050002 1.4810987499999997\n -3.1422524999999997 0.7405202530049999 -1.4810987500000001\n 3.1422524999999997 -0.7405202530049999 -1.4810987499999997\n 5.2370874999999995 3.7027197530050002 1.4810987500000004\n -1.0474174999999999 2.2216792469950004 1.4810987499999999\n -1.0474174999999999 3.7027197530049998 -1.4810987499999997\n 5.2370874999999995 2.2216792469950004 -1.4810987499999995\n 0.0000000000000000 0.0000000000000000 5.1838160030249991\n 0.0000000000000000 0.0000000000000000 -5.1838160030249991\n 2.0948349999999998 2.9621995000000001 5.1838160030250009\n 2.0948349999999998 2.9621995000000001 -5.1838160030249991\n 0.0000000000000000 2.9621995000000001 3.7027824213699998\n 0.0000000000000000 2.9621995000000001 -3.7027824213699994\n 2.0948349999999998 5.9243990000000002 3.7027824213699998\n 2.0948349999999998 5.9243990000000002 -3.7027824213699989\n" }, { "path": "pyxtal/database/cifs/c_bug2.vasp", "content": " C \n 1.0000000000000000\n 8.5033854756483755 0.0000000000000000 0.0000000000000000\n 0.0000000000000000 8.6029826114743475 0.0000000000000000\n -4.1863778586472247 0.0000000000000000 4.2881075098659860\n C \n 28\nCartesian\n 0.0854925514737253 8.5942204736845600 4.2827473754786523\n -3.1297313316973261 7.5833872228015471 3.2125215031663004\n 0.0555787782448595 6.4599538340082523 2.1613905735953804\n 2.1786814807973376 0.0087621377897869 2.1386936205456597\n 3.2151503354504740 5.3210866944099742 1.0684677482333074\n 6.4004604453926603 6.4445200832032690 0.0173368186623873\n 2.2202396384378775 4.4154076999870098 4.2873399386217201\n 0.1114587507761341 6.4354482380394664 4.2066163147484925\n 2.0854444328988992 6.4305015230378695 2.2167414653327300\n 4.2360849769630384 0.1048832625077887 2.1462878589456320\n 4.3134285677614903 4.1875749114873377 2.1432861836887263\n 6.4563404179239345 6.4690256791720548 2.0625625598154986\n 8.4303261000466989 6.4739723941736518 0.0726877103997371\n 6.3292739062866508 8.4980993489665586 0.0022341040126392\n -4.1662001863504621 4.2927291679473871 4.2827473754786523\n 1.1219614061268617 3.2818959170643729 3.2125215031663004\n 4.3072715160690480 2.1584625282710785 2.1613905735953804\n -2.0730112570268497 4.3102534435269604 2.1386936205456597\n -1.0365424023737129 1.0195953886728006 1.0684677482333074\n 2.1487677075684717 2.1430287774660952 0.0173368186623873\n -2.0314530993863102 0.1139163942498368 4.2873399386217201\n 4.3631514886003222 2.1339569323022940 4.2066163147484925\n 6.3371371707230857 2.1290102173006962 2.2167414653327300\n -0.0156077608611481 4.4063745682449627 2.1462878589456320\n 0.0617358299373028 8.4890662172245115 2.1432861836887263\n 2.2046476800997468 2.1675343734348798 2.0625625598154986\n 4.1786333622225103 2.1724810884364776 0.0726877103997371\n 2.0775811684624643 4.1966080432293849 0.0022341040126392\n" }, { "path": "pyxtal/database/cifs/coumarin.cif", "content": "####################################################################### \r\n# \r\n# This file contains crystal structure data downloaded from the \r\n# Cambridge Structural Database (CSD) hosted by the Cambridge \r\n# Crystallographic Data Centre (CCDC).\r\n# \r\n# Full information about CCDC data access policies and citation \r\n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \r\n# \r\n# Audit and citation data items may have been added by the CCDC. \r\n# Please retain this information to preserve the provenance of \r\n# this file and to allow appropriate attribution of the data. \r\n# \r\n#######################################################################\r\n\r\ndata_COUMARIN\r\n_audit_block_doi 10.5517/cc8xw89\r\n_database_code_depnum_ccdc_archive 'CCDC 266081'\r\nloop_\r\n_citation_id\r\n_citation_doi\r\n_citation_year\r\n1 10.1021/jp046388s 2005\r\n_audit_update_record \r\n;\r\n2005-03-11 deposited with the CCDC.\t2021-05-12 downloaded from the CCDC.\r\n;\r\n_chemical_name_systematic \r\n;\r\n2H-chromene-2-one\r\n;\r\n_chemical_formula_moiety 'C9 H6 O2'\r\n_exptl_crystal_description block\r\n_exptl_crystal_colour colorless\r\n_exptl_crystal_size_max 0.60\r\n_exptl_crystal_size_mid 0.17\r\n_exptl_crystal_size_min 0.09\r\n_chemical_formula_sum 'C9 H6 O2'\r\n_chemical_name_common coumarin\r\n_chemical_formula_weight 146.14\r\n_symmetry_cell_setting Orthorhombic\r\n_symmetry_space_group_name_H-M 'P c 21 b'\r\n_symmetry_space_group_name_Hall 'P -2bc -2c'\r\n\r\n_cell_length_a 5.6091(13)\r\n_cell_length_b 7.7343(19)\r\n_cell_length_c 15.478(4)\r\n_cell_angle_alpha 90.000\r\n_cell_angle_beta 90.000\r\n_cell_angle_gamma 90.000\r\n_cell_volume 671.5(3)\r\n_cell_formula_units_Z 4\r\n_exptl_crystal_density_diffrn 1.446\r\nloop_\r\n_symmetry_equiv_pos_site_id\r\n_symmetry_equiv_pos_as_xyz\r\n1 +X,+Y,+Z\r\n2 +X,1/2+Y,1/2-Z\r\n3 -X,+Y,1/2+Z\r\n4 -X,1/2+Y,-Z\r\n_cell_measurement_reflns_used 8441\r\n_cell_measurement_theta_min 2.63\r\n_cell_measurement_theta_max 49.43\r\n_cell_measurement_temperature 90.0(2)\r\n_diffrn_radiation_type MoK\\a\r\n_diffrn_radiation_wavelength 0.71073\r\n_exptl_absorpt_coefficient_mu 0.103\r\n_exptl_crystal_F_000 304\r\n_exptl_absorpt_correction_type multi-scan\r\n_exptl_absorpt_correction_T_min 0.8510\r\n_exptl_absorpt_correction_T_max 0.9908\r\n_exptl_absorpt_process_details \r\n;\r\nR.H. Blessing, Acta Cryst. (1995), A51, 33-38\r\n;\r\n_exptl_special_details \r\n;\r\nMultipole refinement.\r\nCrystal to Detector distance was 6.03 cm, \\w range is 0.3 \\% and\r\nexposure time was 20s, 40s and 60s in three batches respectively.\r\n;\r\n_diffrn_measurement_device 'CCD area detector Bruker Axs SMART APEX'\r\n_diffrn_measurement_method '\\w scans'\r\n_diffrn_reflns_number 33367\r\n_reflns_number_total 6288\r\n_reflns_number_gt 5742\r\n_reflns_threshold_expression >3sigma(I)\r\n_diffrn_reflns_av_R_equivalents 0.0312\r\n_diffrn_reflns_theta_min 2.63\r\n_diffrn_reflns_theta_max 50.16\r\n_diffrn_reflns_limit_h_min 0\r\n_diffrn_reflns_limit_h_max 12\r\n_diffrn_reflns_limit_k_min -16\r\n_diffrn_reflns_limit_k_max 15\r\n_diffrn_reflns_limit_l_min 0\r\n_diffrn_reflns_limit_l_max 33\r\n_diffrn_reflns_theta_full 50.16\r\n_diffrn_measured_fraction_theta_max 0.984\r\n_diffrn_measured_fraction_theta_full 0.984\r\n_diffrn_standards_number ?\r\n_diffrn_standards_interval_time ?\r\n_diffrn_standards_decay_% 0\r\n_refine_ls_structure_factor_coef F\r\n_refine_ls_matrix_type full\r\n_refine_ls_R_factor_gt 0.0243\r\n_refine_ls_R_factor_all 0.0278\r\n_refine_ls_wR_factor_ref 0.0251\r\n_refine_ls_hydrogen_treatment refall\r\n_refine_ls_number_restraints 0\r\n_refine_ls_number_reflns 5742\r\n_refine_ls_number_parameters 391\r\n_refine_ls_goodness_of_fit_ref 2.0971\r\n_refine_ls_weighting_scheme calc\r\n_refine_ls_weighting_details \r\n;\r\ncalc w1 = Fo*sqrt(w2) + sqrt(Fo^2^w2^2^ + sqrt(w2^2^))\r\nwhere\r\ncalc w2 = q/[s^2^(Fo^2^) + (0.00 P)^2^ + 0.00 P + 0.00 + 0.00 sin(th)]\r\nwhere P = (0.3333 Fo^2^ + 0.6667 Fc^2^)\r\nq = 1.0\r\n;\r\n_refine_ls_shift/su_max 0.0000\r\n_refine_ls_shift/su_mean 0.0000\r\n_refine_diff_density_max 0.174\r\n_refine_diff_density_min -0.241\r\n_refine_ls_extinction_method none\r\n_refine_ls_abs_structure_details \r\n;\r\nFlack H D (1983), Acta Cryst. A39, 876-881,\r\nFlack,H.D. & Bernardinelli, G. (1999) Acta Cryst. A55,\r\n908-915 and (2000) J. Appl. Cryst., 33, 1143-1148.\r\n;\r\n_refine_ls_abs_structure_Flack 0.04(3)\r\n_chemical_absolute_configuration unk\r\nloop_\r\n_atom_type_symbol\r\n_atom_type_description\r\n_atom_type_scat_dispersion_real\r\n_atom_type_scat_dispersion_imag\r\n_atom_type_scat_source\r\nC C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nH H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\nO O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'\r\n\r\n_computing_data_collection 'Bruker SMART'\r\n_computing_cell_refinement 'Bruker SMART'\r\n_computing_data_reduction 'Bruker SAINT'\r\n_computing_structure_solution 'SHELXS-97 (Sheldrick, 1997)'\r\n_computing_structure_refinement 'Koritsanszky et al, (2003)'\r\n_computing_molecular_graphics 'Koritsanszky et al, (2003)'\r\n_computing_publication_material 'Koritsanszky et al, (2003)'\r\nloop_\r\n_atom_site_label\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_occupancy\r\n_atom_site_U_iso_or_equiv\r\nO(1) -0.0093(1) 0.3905 0.65508(4) 1.0000 0.014\r\nO(2) -0.1083(1) 0.4838(1) 0.78495(4) 1.0000 0.019\r\nC(8) 0.14305(6) 0.30639(11) 0.59989(2) 1.0000 0.012\r\nC(3) 0.40510(7) 0.24149(12) 0.72104(2) 1.0000 0.014\r\nC(7) 0.08085(7) 0.30390(12) 0.51272(2) 1.0000 0.014\r\nC(9) 0.35298(6) 0.22949(11) 0.63011(2) 1.0000 0.012\r\nC(4) 0.50270(7) 0.14533(11) 0.57062(3) 1.0000 0.014\r\nC(1) 0.03586(6) 0.40415(12) 0.74185(2) 1.0000 0.014\r\nC(2) 0.25249(7) 0.32433(12) 0.77450(3) 1.0000 0.015\r\nC(6) 0.23144(8) 0.22004(12) 0.45497(3) 1.0000 0.016\r\nC(5) 0.44115(8) 0.13997(12) 0.48381(3) 1.0000 0.016\r\nH(2) 0.28146 0.33888 0.84310 1.0000 0.023(4)\r\nH(6) 0.18089 0.21105 0.38779 1.0000 0.043(4)\r\nH(5) 0.55424 0.07186 0.43874 1.0000 0.038(4)\r\nH(7) -0.07996 0.36385 0.48873 1.0000 0.033(4)\r\nH(3) 0.56483 0.18016 0.74510 1.0000 0.041(5)\r\nH(4) 0.66476 0.08596 0.59384 1.0000 0.036(5)\r\nloop_\r\n_atom_site_aniso_label\r\n_atom_site_aniso_U_11\r\n_atom_site_aniso_U_22\r\n_atom_site_aniso_U_33\r\n_atom_site_aniso_U_12\r\n_atom_site_aniso_U_13\r\n_atom_site_aniso_U_23\r\nO(1) 0.0125(2) 0.0155(2) 0.0140(2) 0.0034(2) 0.0001(2) 0.0004(2)\r\nO(2) 0.0177(2) 0.0216(2) 0.0185(2) 0.0043(2) 0.0043(2) -0.0036(2)\r\nC(8) 0.0113(1) 0.0116(1) 0.0119(1) 0.0009(1) -0.0001(1) 0.0007(1)\r\nC(3) 0.0132(1) 0.0140(1) 0.0134(1) 0.0016(1) -0.0020(1) -0.0002(1)\r\nC(7) 0.0151(1) 0.0152(1) 0.0126(1) 0.0011(1) -0.0015(1) 0.0009(1)\r\nC(9) 0.0113(1) 0.0115(1) 0.0125(1) 0.0012(1) 0.0000(1) 0.0006(1)\r\nC(4) 0.0140(1) 0.0142(1) 0.0150(2) 0.0028(1) 0.0014(1) 0.0000(1)\r\nC(1) 0.0136(1) 0.0135(1) 0.0140(1) 0.0012(1) 0.0019(1) -0.0008(1)\r\nC(2) 0.0157(1) 0.0152(1) 0.0129(1) 0.0011(1) -0.0011(1) -0.0014(1)\r\nC(6) 0.0197(1) 0.0155(1) 0.0121(1) 0.0004(1) 0.0001(1) -0.0001(1)\r\nC(5) 0.0187(2) 0.0152(1) 0.0147(1) 0.0024(1) 0.0028(1) -0.0009(1)\r\nloop_\r\n_geom_bond_atom_site_label_1\r\n_geom_bond_atom_site_label_2\r\n_geom_bond_distance\r\n_geom_bond_site_symmetry_1\r\n_geom_bond_site_symmetry_2\r\n_geom_bond_publ_flag\r\nO(1) C(8) 1.3721(8) 1_555 1_555 yes\r\nO(1) C(1) 1.3708(8) 1_555 1_555 yes\r\nO(2) C(1) 1.2160(7) 1_555 1_555 yes\r\nC(8) C(7) 1.3937(5) 1_555 1_555 yes\r\nC(8) C(9) 1.3997(4) 1_555 1_555 yes\r\nC(3) C(9) 1.4404(5) 1_555 1_555 yes\r\nC(3) C(2) 1.3521(5) 1_555 1_555 yes\r\nC(3) H(3) 1.0800 1_555 1_555 yes\r\nC(7) C(6) 1.3904(6) 1_555 1_555 yes\r\nC(7) H(7) 1.0800 1_555 1_555 yes\r\nC(9) C(4) 1.4060(5) 1_555 1_555 yes\r\nC(4) C(5) 1.3879(6) 1_555 1_555 yes\r\nC(4) H(4) 1.0800 1_555 1_555 yes\r\nC(1) C(2) 1.4536(5) 1_555 1_555 yes\r\nC(2) H(2) 1.0800 1_555 1_555 yes\r\nC(6) C(5) 1.4023(6) 1_555 1_555 yes\r\nC(6) H(6) 1.0800 1_555 1_555 yes\r\nC(5) H(5) 1.0800 1_555 1_555 yes\r\nloop_\r\n_geom_angle_atom_site_label_1\r\n_geom_angle_atom_site_label_2\r\n_geom_angle_atom_site_label_3\r\n_geom_angle\r\n_geom_angle_site_symmetry_1\r\n_geom_angle_site_symmetry_2\r\n_geom_angle_site_symmetry_3\r\n_geom_angle_publ_flag\r\nC(8) O(1) C(1) 122.11(5) 1_555 1_555 1_555 yes\r\nO(1) C(8) C(7) 116.96(4) 1_555 1_555 1_555 yes\r\nO(1) C(8) C(9) 121.15(4) 1_555 1_555 1_555 yes\r\nC(7) C(8) C(9) 121.88(3) 1_555 1_555 1_555 yes\r\nC(9) C(3) C(2) 120.00(3) 1_555 1_555 1_555 yes\r\nC(9) C(3) H(3) 118.49 1_555 1_555 1_555 yes\r\nC(2) C(3) H(3) 121.48 1_555 1_555 1_555 yes\r\nC(8) C(7) C(6) 118.47(4) 1_555 1_555 1_555 yes\r\nC(8) C(7) H(7) 122.41 1_555 1_555 1_555 yes\r\nC(6) C(7) H(7) 119.12 1_555 1_555 1_555 yes\r\nC(8) C(9) C(3) 118.02(3) 1_555 1_555 1_555 yes\r\nC(8) C(9) C(4) 118.71(3) 1_555 1_555 1_555 yes\r\nC(3) C(9) C(4) 123.26(3) 1_555 1_555 1_555 yes\r\nC(9) C(4) C(5) 119.95(4) 1_555 1_555 1_555 yes\r\nC(9) C(4) H(4) 118.79 1_555 1_555 1_555 yes\r\nC(5) C(4) H(4) 121.26 1_555 1_555 1_555 yes\r\nO(1) C(1) O(2) 116.99(5) 1_555 1_555 1_555 yes\r\nO(1) C(1) C(2) 117.53(4) 1_555 1_555 1_555 yes\r\nO(2) C(1) C(2) 125.48(5) 1_555 1_555 1_555 yes\r\nC(3) C(2) C(1) 121.18(4) 1_555 1_555 1_555 yes\r\nC(3) C(2) H(2) 123.77 1_555 1_555 1_555 yes\r\nC(1) C(2) H(2) 115.04 1_555 1_555 1_555 yes\r\nC(7) C(6) C(5) 120.73(4) 1_555 1_555 1_555 yes\r\nC(7) C(6) H(6) 119.31 1_555 1_555 1_555 yes\r\nC(5) C(6) H(6) 119.88 1_555 1_555 1_555 yes\r\nC(4) C(5) C(6) 120.24(4) 1_555 1_555 1_555 yes\r\nC(4) C(5) H(5) 119.59 1_555 1_555 1_555 yes\r\nC(6) C(5) H(5) 120.17 1_555 1_555 1_555 yes\r\nloop_\r\n_geom_torsion_atom_site_label_1\r\n_geom_torsion_atom_site_label_2\r\n_geom_torsion_atom_site_label_3\r\n_geom_torsion_atom_site_label_4\r\n_geom_torsion\r\n_geom_torsion_site_symmetry_1\r\n_geom_torsion_site_symmetry_2\r\n_geom_torsion_site_symmetry_3\r\n_geom_torsion_site_symmetry_4\r\n_geom_torsion_publ_flag\r\nC(8) O(1) C(1) O(2) 178.8(1) 1_555 1_555 1_555 1_555 yes\r\nC(1) O(1) C(8) C(7) -178.7(1) 1_555 1_555 1_555 1_555 yes\r\nC(1) O(1) C(8) C(9) 0.3(1) 1_555 1_555 1_555 1_555 yes\r\nC(8) O(1) C(1) C(2) -0.6(1) 1_555 1_555 1_555 1_555 yes\r\nO(1) C(8) C(7) C(6) 179.9(1) 1_555 1_555 1_555 1_555 yes\r\nO(1) C(8) C(7) H(7) -0.5 1_555 1_555 1_555 1_555 yes\r\nO(1) C(8) C(9) C(3) -0.2(1) 1_555 1_555 1_555 1_555 yes\r\nO(1) C(8) C(9) C(4) -179.9(1) 1_555 1_555 1_555 1_555 yes\r\nC(7) C(8) C(9) C(3) 178.8(1) 1_555 1_555 1_555 1_555 yes\r\nC(7) C(8) C(9) C(4) -1.0(1) 1_555 1_555 1_555 1_555 yes\r\nC(9) C(8) C(7) C(6) 0.9(1) 1_555 1_555 1_555 1_555 yes\r\nC(9) C(8) C(7) H(7) -179.4 1_555 1_555 1_555 1_555 yes\r\nC(2) C(3) C(9) C(8) 0.4(1) 1_555 1_555 1_555 1_555 yes\r\nC(2) C(3) C(9) C(4) -179.9(1) 1_555 1_555 1_555 1_555 yes\r\nC(9) C(3) C(2) C(1) -0.7(1) 1_555 1_555 1_555 1_555 yes\r\nC(9) C(3) C(2) H(2) -179.5 1_555 1_555 1_555 1_555 yes\r\nH(3) C(3) C(9) C(8) 178.7 1_555 1_555 1_555 1_555 yes\r\nH(3) C(3) C(9) C(4) -1.6 1_555 1_555 1_555 1_555 yes\r\nH(3) C(3) C(2) C(1) -179.0 1_555 1_555 1_555 1_555 yes\r\nH(3) C(3) C(2) H(2) 2.2 1_555 1_555 1_555 1_555 yes\r\nC(8) C(7) C(6) C(5) -0.1(1) 1_555 1_555 1_555 1_555 yes\r\nC(8) C(7) C(6) H(6) 176.7 1_555 1_555 1_555 1_555 yes\r\nH(7) C(7) C(6) C(5) -179.7 1_555 1_555 1_555 1_555 yes\r\nH(7) C(7) C(6) H(6) -2.9 1_555 1_555 1_555 1_555 yes\r\nC(8) C(9) C(4) C(5) 0.1(1) 1_555 1_555 1_555 1_555 yes\r\nC(8) C(9) C(4) H(4) 180.0 1_555 1_555 1_555 1_555 yes\r\nC(3) C(9) C(4) C(5) -179.6(1) 1_555 1_555 1_555 1_555 yes\r\nC(3) C(9) C(4) H(4) 0.3 1_555 1_555 1_555 1_555 yes\r\nC(9) C(4) C(5) C(6) 0.8(1) 1_555 1_555 1_555 1_555 yes\r\nC(9) C(4) C(5) H(5) -178.2 1_555 1_555 1_555 1_555 yes\r\nH(4) C(4) C(5) C(6) -179.1 1_555 1_555 1_555 1_555 yes\r\nH(4) C(4) C(5) H(5) 1.9 1_555 1_555 1_555 1_555 yes\r\nO(1) C(1) C(2) C(3) 0.8(1) 1_555 1_555 1_555 1_555 yes\r\nO(1) C(1) C(2) H(2) 179.7 1_555 1_555 1_555 1_555 yes\r\nO(2) C(1) C(2) C(3) -178.5(1) 1_555 1_555 1_555 1_555 yes\r\nO(2) C(1) C(2) H(2) 0.4 1_555 1_555 1_555 1_555 yes\r\nC(7) C(6) C(5) C(4) -0.8(1) 1_555 1_555 1_555 1_555 yes\r\nC(7) C(6) C(5) H(5) 178.2 1_555 1_555 1_555 1_555 yes\r\nH(6) C(6) C(5) C(4) -177.5 1_555 1_555 1_555 1_555 yes\r\nH(6) C(6) C(5) H(5) 1.4 1_555 1_555 1_555 1_555 yes\r\nloop_\r\n_atom_rho_multipole_label\r\n_atom_rho_multipole_coeff_Pv\r\n_atom_rho_multipole_coeff_P00\r\n_atom_rho_multipole_coeff_P11\r\n_atom_rho_multipole_coeff_P1-1\r\n_atom_rho_multipole_coeff_P10\r\n_atom_rho_multipole_coeff_P20\r\n_atom_rho_multipole_coeff_P21\r\n_atom_rho_multipole_coeff_P2-1\r\n_atom_rho_multipole_coeff_P22\r\n_atom_rho_multipole_coeff_P2-2\r\n_atom_rho_multipole_coeff_P30\r\n_atom_rho_multipole_coeff_P31\r\n_atom_rho_multipole_coeff_P3-1\r\n_atom_rho_multipole_coeff_P32\r\n_atom_rho_multipole_coeff_P3-2\r\n_atom_rho_multipole_coeff_P33\r\n_atom_rho_multipole_coeff_P3-3\r\n_atom_rho_multipole_coeff_P40\r\n_atom_rho_multipole_coeff_P41\r\n_atom_rho_multipole_coeff_P4-1\r\n_atom_rho_multipole_coeff_P42\r\n_atom_rho_multipole_coeff_P4-2\r\n_atom_rho_multipole_coeff_P43\r\n_atom_rho_multipole_coeff_P4-3\r\n_atom_rho_multipole_coeff_P44\r\n_atom_rho_multipole_coeff_P4-4\r\n_atom_rho_multipole_kappa_prime\r\n_atom_rho_multipole_kappa_dprime0\r\n_atom_rho_multipole_kappa_dprime1\r\n_atom_rho_multipole_kappa_dprime2\r\n_atom_rho_multipole_kappa_dprime3\r\n_atom_rho_multipole_kappa_dprime4\r\nO(1) 6.64(3) 0.00 -0.003(15) -0.057(12) -0.047(13) -0.059(15) -0.009(14)\r\n0.070(13) -0.006(13) 0.004(13) 0.052(8) 0.004(9) 0.022(8) 0.032(8) -0.008(7)\r\n-0.001(7) -0.014(9) 0.026(11) -0.004(10) 0.016(9) -0.003(10) -0.033(10)\r\n-0.043(9) -0.002(10) 0.059(9) -0.060(9) 0.99 1.42 1.42 1.42 1.42 1.42\r\nO(2) 6.51(3) 0.00 0.046(18) -0.021(15) -0.041(15) 0.021(16) 0.037(15)\r\n-0.059(14) -0.088(15) 0.030(17) 0.003(11) -0.007(9) -0.011(11) 0.028(11)\r\n-0.022(10) -0.001(11) 0.021(10) 0.026(12) -0.017(11) -0.006(11) -0.034(12)\r\n-0.085(11) -0.012(12) 0.039(12) 0.040(12) 0.021(12) 1.00 1.21 1.21 1.21 1.21\r\n1.21\r\nC(8) 3.78(6) 0.00 -0.03(3) 0.08(3) -0.19(3) 0.00(2) 0.019(19) 0.05(2) -0.22(2)\r\n0.00(2) 0.36(3) -0.04(2) -0.13(3) 0.18(3) 0.00(3) -0.01(2) -0.09(3) 0.11(3)\r\n-0.07(3) 0.00(4) -0.01(3) 0.05(3) -0.11(3) -0.08(3) 0.05(3) 0.00(3) 1.06 0.86\r\n0.86 0.86 0.86 0.86\r\nC(3) 3.96(6) 0.00 0.00(3) -0.04(3) -0.02(4) 0.14(3) -0.01(2) -0.05(2) -0.21(2)\r\n0.04(2) 0.35(3) 0.02(2) 0.00(3) 0.25(3) -0.03(3) 0.00(3) 0.06(3) 0.10(4)\r\n-0.04(2) 0.03(4) -0.16(3) 0.05(3) 0.01(3) 0.00(3) 0.04(3) -0.01(3) 1.06 0.86\r\n0.86 0.86 0.86 0.86\r\nC(7) 3.99(6) 0.00 0.05(3) 0.04(4) -0.03(4) 0.15(3) -0.03(2) -0.03(3) -0.12(2)\r\n-0.06(2) 0.33(3) 0.02(2) -0.15(3) 0.19(3) 0.01(3) -0.01(3) -0.02(3) 0.01(4)\r\n0.07(2) -0.05(4) -0.13(3) -0.04(3) 0.01(3) -0.03(3) 0.02(3) -0.01(3) 1.06 0.86\r\n0.86 0.86 0.86 0.86\r\nC(9) 3.67(6) 0.00 -0.04(3) 0.08(3) -0.01(3) 0.14(3) 0.07(2) -0.05(2) -0.11(2)\r\n-0.04(2) 0.30(3) 0.03(2) -0.05(3) 0.22(3) 0.03(3) 0.01(2) -0.01(3) 0.09(4)\r\n0.04(3) -0.11(4) 0.03(3) -0.03(4) 0.02(3) -0.05(3) -0.01(3) 0.00(3) 1.06 0.86\r\n0.86 0.86 0.86 0.86\r\nC(4) 4.17(6) 0.00 0.06(3) 0.05(4) -0.04(4) 0.15(3) 0.04(2) -0.06(3) -0.17(2)\r\n0.02(3) 0.29(3) 0.00(2) 0.18(3) 0.32(3) -0.01(3) 0.02(3) -0.05(3) 0.00(4)\r\n0.04(3) -0.08(4) -0.12(3) 0.05(3) -0.04(3) -0.03(3) 0.05(3) -0.03(3) 1.06 0.86\r\n0.86 0.86 0.86 0.86\r\nC(1) 4.01(5) 0.00 -0.08(3) -0.01(2) 0.05(3) 0.37(2) -0.02(2) 0.16(2) -0.15(2)\r\n0.03(2) 0.41(3) 0.04(2) -0.06(3) 0.33(3) -0.07(2) 0.02(3) -0.05(2) -0.03(4)\r\n0.02(3) 0.17(4) -0.08(3) -0.03(3) -0.01(3) -0.06(3) 0.10(3) -0.02(3) 1.06 0.86\r\n0.86 0.86 0.86 0.86\r\nC(2) 3.89(6) 0.00 0.01(3) 0.07(3) 0.10(3) -0.01(3) -0.04(2) -0.09(2) -0.14(2)\r\n0.01(2) 0.31(3) 0.00(3) 0.06(3) 0.16(3) -0.04(2) 0.00(2) 0.04(3) 0.09(4)\r\n-0.05(3) 0.03(3) 0.04(3) -0.04(3) -0.03(3) 0.03(3) 0.03(3) -0.06(3) 1.06 0.86\r\n0.86 0.86 0.86 0.86\r\nC(6) 3.95(6) 0.00 0.05(3) 0.02(4) 0.01(4) 0.02(3) -0.05(2) -0.03(2) -0.18(2)\r\n-0.01(2) 0.34(3) -0.02(3) 0.09(3) 0.21(3) 0.07(3) -0.02(3) -0.02(3) 0.01(4)\r\n-0.06(3) -0.02(3) -0.02(3) -0.02(3) 0.07(3) 0.04(3) 0.02(3) 0.09(3) 1.06 0.86\r\n0.86 0.86 0.86 0.86\r\nC(5) 4.00(6) 0.00 0.01(4) -0.06(4) 0.02(4) -0.02(3) -0.026(19) 0.15(3) -0.21(3)\r\n-0.03(3) 0.29(3) 0.07(2) -0.12(3) 0.23(3) 0.05(3) -0.02(3) 0.01(3) 0.10(4)\r\n0.01(2) 0.09(4) -0.05(3) -0.06(3) 0.14(3) 0.00(3) 0.03(3) 0.03(3) 1.06 0.86\r\n0.86 0.86 0.86 0.86\r\nH(2) 0.75(5) 0.00 0.00 0.00 0.16(3) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00\r\n0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.20 1.20\r\n1.20 1.20 1.20\r\nH(6) 1.02(6) 0.00 0.00 0.00 0.25(3) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00\r\n0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.20 1.20\r\n1.20 1.20 1.20\r\nH(5) 0.96(6) 0.00 0.00 0.00 0.18(3) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00\r\n0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.20 1.20\r\n1.20 1.20 1.20\r\nH(7) 0.91(5) 0.00 0.00 0.00 0.16(3) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00\r\n0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.20 1.20\r\n1.20 1.20 1.20\r\nH(3) 0.89(5) 0.00 0.00 0.00 0.23(3) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00\r\n0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.20 1.20\r\n1.20 1.20 1.20\r\nH(4) 0.91(6) 0.00 0.00 0.00 0.17(3) 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00\r\n0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.20 1.20\r\n1.20 1.20 1.20\r\nloop_\r\n_atom_local_axes_label\r\n_atom_local_axes_atom0\r\n_atom_local_axes_ax1\r\n_atom_local_axes_atom1\r\n_atom_local_axes_atom2\r\n_atom_local_axes_ax2\r\nO(1) C(1) Z O(1) C(8) Y\r\nO(2) C(1) Z O(2) O(1) Y\r\nC(8) O(1) Z C(8) C(7) Y\r\nC(3) H(3) Z C(3) C(2) Y\r\nC(7) H(7) Z C(7) C(6) Y\r\nC(9) C(8) Z C(9) C(4) Y\r\nC(4) H(4) Z C(4) C(5) Y\r\nC(1) O(2) Z C(1) O(1) Y\r\nC(2) H(2) Z C(2) C(3) Y\r\nC(6) H(6) Z C(6) C(7) Y\r\nC(5) H(5) Z C(5) C(4) Y\r\nH(2) C(2) Z H(2) C(3) Y\r\nH(6) C(6) Z H(6) C(7) Y\r\nH(5) C(5) Z H(5) C(4) Y\r\nH(7) C(7) Z H(7) C(8) Y\r\nH(3) C(3) Z H(3) C(2) Y\r\nH(4) C(4) Z H(4) C(9) Y\r\n\r\n" }, { "path": "pyxtal/database/cifs/dist_6_0.cif", "content": "#############################################################\n# ______ _ _ _ \t #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | \t #\n# | ____/ | | | ) (| _)/ _ | | \t #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 0.4.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at University of Nevada Las Vegas #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Pm'\n_symmetry_Int_Tables_number 6\n_symmetry_cell_setting monoclinic\n_cell_length_a 6.561267\n_cell_length_b 3.770591\n_cell_length_c 6.597092\n_cell_angle_alpha 90.000000\n_cell_angle_beta 119.210833\n_cell_angle_gamma 90.000000\n_cell_volume 142.455520\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 'x, -y, z'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nPr Pr 1 0.334543 0.000000 0.664694 1\nPr Pr 1 0.660463 0.500000 0.324056 1\nH H 1 0.141141 0.500000 0.285537 1\nH H 1 0.135930 0.500000 0.853727 1\nH H 1 0.281900 0.000000 0.140007 1\nH H 1 0.719630 0.500000 0.857542 1\nH H 1 0.859733 0.000000 0.141102 1\nH H 1 0.858620 0.000000 0.688219 1\nO O 1 0.087839 0.500000 0.688604 1\nO O 1 0.307855 0.500000 0.394058 1\nO O 1 0.392211 0.000000 0.081682 1\nO O 1 0.603340 0.500000 0.908420 1\nO O 1 0.689823 0.000000 0.592402 1\nO O 1 0.911375 0.000000 0.307002 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/dist_6_1.cif", "content": "#############################################################\n# ______ _ _ _ \t #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | \t #\n# | ____/ | | | ) (| _)/ _ | | \t #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 0.4.1)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at University of Nevada Las Vegas #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Pm'\n_symmetry_Int_Tables_number 6\n_symmetry_cell_setting monoclinic\n_cell_length_a 6.552521\n_cell_length_b 3.746938\n_cell_length_c 6.574206\n_cell_angle_alpha 90.000000\n_cell_angle_beta 119.133402\n_cell_angle_gamma 90.000000\n_cell_volume 140.989071\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 'x, -y, z'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nPr Pr 1 0.671517 0.000000 0.328734 1\nPr Pr 1 0.330775 0.500000 0.663204 1\nH H 1 0.845421 0.500000 0.700867 1\nH H 1 0.858107 0.500000 0.121573 1\nH H 1 0.708558 0.000000 0.849799 1\nH H 1 0.293448 0.500000 0.142286 1\nH H 1 0.143953 0.000000 0.869053 1\nH H 1 0.156897 0.000000 0.291312 1\nO O 1 0.914160 0.500000 0.598961 1\nO O 1 0.692279 0.500000 0.074340 1\nO O 1 0.602685 0.000000 0.682542 1\nO O 1 0.399633 0.500000 0.309400 1\nO O 1 0.310063 0.000000 0.917436 1\nO O 1 0.088101 0.000000 0.393138 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/gdh.cif", "content": "####################################################################### \r\n# \r\n# This file contains crystal structure data downloaded from the \r\n# Cambridge Structural Database (CSD) hosted by the Cambridge \r\n# Crystallographic Data Centre (CCDC).\r\n# \r\n# Full information about CCDC data access policies and citation \r\n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \r\n# \r\n# Audit and citation data items may have been added by the CCDC. \r\n# Please retain this information to preserve the provenance of \r\n# this file and to allow appropriate attribution of the data. \r\n# \r\n#######################################################################\r\n\r\ndata_20GLY_29_RIGIDGLY2_phase_1\r\n_audit_block_doi 10.5517/ccdc.csd.cc1mvtdp\r\n_database_code_depnum_ccdc_archive 'CCDC 1515323'\r\nloop_\r\n_citation_id\r\n_citation_doi\r\n_citation_year\r\n1 10.1002/anie.201610977 2017\r\n_audit_update_record \r\n;\r\n2016-11-04 deposited with the CCDC.\t2021-04-14 downloaded from the CCDC.\r\n;\r\n\r\n_pd_block_id \r\n2016-11-01T01:40|20GLY_29_RIGIDGLY2_phase1|Wenqian_Xu||\r\n\r\n# Histograms for phase 1\r\nloop_\r\n_pd_block_diffractogram_id\r\n2016-11-01T01:40|20GLY_29_RIGIDGLY2_H_01|Wenqian_Xu|17-BM\r\n\r\n#==============================================================================\r\n# 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA\r\n\r\n_pd_char_particle_morphology ?\r\n\r\n_chemical_name_systematic 'glycine dihydrate'\r\n_chemical_name_common 'glycine dihydrate'\r\n_chemical_formula_moiety 'C2H5NO2 * 2H2O'\r\n_chemical_formula_structural ?\r\n_chemical_formula_analytical ?\r\n_chemical_melting_point ?\r\n_chemical_compound_source ? # for minerals and\r\n# natural products\r\n_symmetry_space_group_name_Hall ?\r\n\r\n_exptl_crystal_F_000 ?\r\n_exptl_crystal_density_diffrn ?\r\n_exptl_crystal_density_meas ?\r\n_exptl_crystal_density_method ?\r\n\r\n_cell_measurement_temperature 208\r\n\r\n_cell_special_details \r\n; ?\r\n;\r\n\r\n_geom_special_details ?\r\n\r\n# The following item identifies the program(s) used (if appropriate).\r\n_computing_structure_solution ?\r\n\r\n#==============================================================================\r\n\r\n# 8. Phase information from GSAS\r\n\r\n_pd_phase_name \r\n'from C:/GSAS/MyWork/2016-1/Chunhua/20Gly-29/20Gly_d250_R-00029.cif'\r\n_cell_length_a 8.9585(9)\r\n_cell_length_b 8.2166(8)\r\n_cell_length_c 7.6142(6)\r\n_cell_angle_alpha 90.0\r\n_cell_angle_beta 104.262(7)\r\n_cell_angle_gamma 90.0\r\n_cell_volume 543.20(8)\r\n_symmetry_cell_setting monoclinic\r\n_symmetry_space_group_name_H-M 'P 1 21/c 1'\r\nloop_\r\n_symmetry_equiv_pos_site_id\r\n_symmetry_equiv_pos_as_xyz\r\n1 +x,+y,+z\r\n2 -x,+y+1/2,-z+1/2\r\n-1 -x,-y,-z\r\n-2 +x,-y+1/2,+z+1/2\r\n\r\n# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS\r\n\r\n\r\nloop_\r\n_atom_site_type_symbol\r\n_atom_site_label\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_occupancy\r\n_atom_site_thermal_displace_type\r\n_atom_site_U_iso_or_equiv\r\n_atom_site_symmetry_multiplicity\r\nO O1 0.3959(4) 0.7533(4) 0.9633(4) 1.0 Uiso 0.0408(33) 4\r\nO O2 0.1508(4) 0.8496(4) 0.9160(4) 1.0 Uiso 0.0408(33) 4\r\nN N1 0.2924(4) 0.4371(4) 0.9486(4) 1.0 Uiso 0.0408(33) 4\r\nH H1A 0.3559(4) 0.4338(4) 1.0604(4) 1.0 Uiso 0.061(5) 4\r\nH H1B 0.3478(4) 0.4540(4) 0.8665(4) 1.0 Uiso 0.061(5) 4\r\nH H1C 0.2416(4) 0.3420(4) 0.9250(4) 1.0 Uiso 0.061(5) 4\r\nC C1 0.2523(4) 0.7429(4) 0.9388(4) 1.0 Uiso 0.0408(33) 4\r\nC C2 0.1797(4) 0.5720(4) 0.9386(4) 1.0 Uiso 0.0408(33) 4\r\nH H2A 0.1333(4) 0.5636(4) 1.0421(4) 1.0 Uiso 0.061(5) 4\r\nH H2B 0.0972(4) 0.5594(4) 0.8279(4) 1.0 Uiso 0.061(5) 4\r\nO O3 0.4917(13) 0.4990(17) 0.7151(14) 1.0 Uiso 0.056(4) 4\r\nH H3A 0.5268(13) 0.4287(17) 0.6573(14) 1.0 Uiso 0.084(5) 4\r\nH H3B 0.4590(13) 0.5808(17) 0.6522(14) 1.0 Uiso 0.084(5) 4\r\nO O4 0.1548(11) 0.3365(12) 0.5273(11) 1.0 Uiso 0.056(4) 4\r\nH H4A 0.0866(11) 0.3301(12) 0.5863(11) 1.0 Uiso 0.084(5) 4\r\nH H4B 0.1525(11) 0.4316(12) 0.4828(11) 1.0 Uiso 0.084(5) 4\r\n\r\nloop_\r\n_atom_type_symbol\r\n_atom_type_number_in_cell\r\nO 16.0\r\nN 4.0\r\nH 36.0\r\nC 8.0\r\n\r\n# If you change Z, be sure to change all 3 of the following\r\n_chemical_formula_sum 'C2 H9 N O4'\r\n_chemical_formula_weight 111.10\r\n_cell_formula_units_Z 4\r\n\r\n# MOLECULAR GEOMETRY\r\n\r\nloop_\r\n_geom_bond_atom_site_label_1\r\n_geom_bond_atom_site_label_2\r\n_geom_bond_distance\r\n_geom_bond_site_symmetry_1\r\n_geom_bond_site_symmetry_2\r\n_geom_bond_publ_flag\r\nO1 C1 1.25719(13) . 1_555 N\r\nO1 H3A 1.927(13) . 2_656 N\r\nO1 H3B 1.961(13) . -2_565 N\r\nO2 C1 1.24389(9) . 1_555 N\r\nO2 H4B 1.867(11) . -2_565 N\r\nN1 H1A 0.90043(8) . 1_555 N\r\nN1 H1B 0.89970(6) . 1_555 N\r\nN1 H1C 0.90009(7) . 1_555 N\r\nN1 C2 1.48822(10) . 1_555 N\r\nN1 H2A 2.02958(14) . 1_555 N\r\nN1 H2B 2.02956(16) . 1_555 N\r\nH1A N1 0.90043(8) . 1_555 N\r\nH1A H1B 1.46967(11) . 1_555 N\r\nH1A H1C 1.47004(11) . 1_555 N\r\nH1A C2 1.97985(15) . 1_555 N\r\nH1A O3 1.986(12) . -1_667 N\r\nH1B N1 0.89970(6) . 1_555 N\r\nH1B H1A 1.46967(11) . 1_555 N\r\nH1B H1C 1.46960(9) . 1_555 N\r\nH1B C2 1.97914(14) . 1_555 N\r\nH1B O3 1.964(9) . 1_555 N\r\nH1C N1 0.90009(7) . 1_555 N\r\nH1C H1A 1.47004(11) . 1_555 N\r\nH1C H1B 1.46960(9) . 1_555 N\r\nH1C C2 1.97934(17) . 1_555 N\r\nH1C O4 1.914(9) . -2_555 N\r\nC1 O1 1.25719(13) . 1_555 N\r\nC1 O2 1.24389(9) . 1_555 N\r\nC1 C2 1.54774(12) . 1_555 N\r\nC1 H2A 2.08312(13) . 1_555 N\r\nC1 H2B 2.08314(14) . 1_555 N\r\nC2 N1 1.48822(10) . 1_555 N\r\nC2 H1A 1.97985(15) . 1_555 N\r\nC2 H1B 1.97914(14) . 1_555 N\r\nC2 H1C 1.97934(17) . 1_555 N\r\nC2 C1 1.54774(12) . 1_555 N\r\nC2 H2A 0.97988(7) . 1_555 N\r\nC2 H2B 0.97992(9) . 1_555 N\r\nH2A N1 2.02958(14) . 1_555 N\r\nH2A C1 2.08312(13) . 1_555 N\r\nH2A C2 0.97988(7) . 1_555 N\r\nH2A H2B 1.58269(12) . 1_555 N\r\nH2B N1 2.02956(16) . 1_555 N\r\nH2B C1 2.08314(14) . 1_555 N\r\nH2B C2 0.97992(9) . 1_555 N\r\nH2B H2A 1.58269(12) . 1_555 N\r\nO3 H1A 1.986(12) . -1_667 N\r\nO3 H1B 1.964(9) . 1_555 N\r\nO3 H3A 0.83316(5) . 1_555 N\r\nO3 H3B 0.83577(6) . 1_555 N\r\nH3A O1 1.927(13) . 2_646 N\r\nH3A O3 0.83316(5) . 1_555 N\r\nH3A H3B 1.38593(11) . 1_555 N\r\nH3B O1 1.961(13) . -2_564 N\r\nH3B O3 0.83577(6) . 1_555 N\r\nH3B H3A 1.38593(11) . 1_555 N\r\nO4 H1C 1.914(9) . -2_554 N\r\nO4 H4A 0.84428(7) . 1_555 N\r\nO4 H4B 0.84991(7) . 1_555 N\r\nH4A O4 0.84428(7) . 1_555 N\r\nH4A H4B 1.37627(8) . 1_555 N\r\nH4B O2 1.867(11) . -2_564 N\r\nH4B O4 0.84991(7) . 1_555 N\r\nH4B H4A 1.37627(8) . 1_555 N\r\n\r\nloop_\r\n_geom_angle_atom_site_label_1\r\n_geom_angle_atom_site_label_2\r\n_geom_angle_atom_site_label_3\r\n_geom_angle\r\n_geom_angle_site_symmetry_1\r\n_geom_angle_site_symmetry_2\r\n_geom_angle_site_symmetry_3\r\n_geom_angle_publ_flag\r\nH1A N1 H1B 109.456(7) 1_555 . 1_555 N\r\nH1A N1 H1C 109.463(4) 1_555 . 1_555 N\r\nH1A N1 C2 109.490(4) 1_555 . 1_555 N\r\nH1B N1 H1C 109.4793(32) 1_555 . 1_555 N\r\nH1B N1 C2 109.473(5) 1_555 . 1_555 N\r\nH1C N1 C2 109.467(7) 1_555 . 1_555 N\r\nN1 H1A H1B 35.256(4) 1_555 . 1_555 N\r\nN1 H1A H1C 35.261(4) 1_555 . 1_555 N\r\nH1B H1A H1C 59.988(5) 1_555 . 1_555 N\r\nN1 H1B H1A 35.289(4) 1_555 . 1_555 N\r\nN1 H1B H1C 35.2690(26) 1_555 . 1_555 N\r\nH1A H1B H1C 60.018(4) 1_555 . 1_555 N\r\nN1 H1C H1A 35.2765(16) 1_555 . 1_555 N\r\nN1 H1C H1B 35.2517(25) 1_555 . 1_555 N\r\nH1A H1C H1B 59.993(5) 1_555 . 1_555 N\r\nO1 C1 O2 131.270(4) 1_555 . 1_555 N\r\nO1 C1 C2 118.4154(25) 1_555 . 1_555 N\r\nO2 C1 C2 110.305(7) 1_555 . 1_555 N\r\nN1 C2 C1 113.350(7) 1_555 . 1_555 N\r\nN1 C2 H2A 108.889(4) 1_555 . 1_555 N\r\nN1 C2 H2B 108.885(5) 1_555 . 1_555 N\r\nC1 C2 H2A 108.9243(26) 1_555 . 1_555 N\r\nC1 C2 H2B 108.9230(27) 1_555 . 1_555 N\r\nH2A C2 H2B 107.720(7) 1_555 . 1_555 N\r\nH3A O3 H3B 112.286(6) 1_555 . 1_555 N\r\nO3 H3A H3B 33.9171(27) 1_555 . 1_555 N\r\nO3 H3B H3A 33.7968(32) 1_555 . 1_555 N\r\nH4A O4 H4B 108.6509(22) 1_555 . 1_555 N\r\nO4 H4A H4B 35.8112(29) 1_555 . 1_555 N\r\nO4 H4B H4A 35.5378(22) 1_555 . 1_555 N\r\n_diffrn_ambient_temperature 208\r\n" }, { "path": "pyxtal/database/cifs/ht_KNbBO.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 0.5.2)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at University of Nevada Las Vegas #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'P-62m'\n_symmetry_Int_Tables_number 189\n_symmetry_cell_setting hexagonal\n_cell_length_a 8.943192\n_cell_length_b 8.943192\n_cell_length_c 3.966009\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 120.000000\n_cell_volume 274.706845\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-y, x-y, z'\n3 '-x+y, -x, z'\n4 'x, y, -z'\n5 '-y, x-y, -z'\n6 '-x+y, -x, -z'\n7 'y, x, -z'\n8 'x-y, -y, -z'\n9 '-x, -x+y, -z'\n10 'y, x, z'\n11 'x-y, -y, z'\n12 '-x, -x+y, z'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nB B 2 0.333333 0.666667 0.000000 1\nO O 6 0.314491 0.504123 0.000000 1\nO O 3 0.177932 0.000000 0.000000 1\nO O 3 0.735635 0.000000 0.500000 1\nK K 3 0.404144 0.000000 0.500000 1\nNb Nb 3 0.752986 0.000000 0.000000 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/ht_cristobalite.cif", "content": "# generated using pymatgen\ndata_SiO2\n_symmetry_space_group_name_H-M Fd-3m\n_cell_length_a 7.46086800\n_cell_length_b 7.46086800\n_cell_length_c 7.46086800\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 227\n_chemical_formula_structural SiO2\n_chemical_formula_sum 'Si8 O16'\n_cell_volume 415.30586963\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\n 2 '-y+1/4, x+1/4, z+1/4'\n 3 '-x, -y+1/2, z+1/2'\n 4 'y+3/4, -x+1/4, z+3/4'\n 5 'x, -y, -z'\n 6 '-y+1/4, -x+3/4, -z+3/4'\n 7 '-x, y+1/2, -z+1/2'\n 8 'y+3/4, x+3/4, -z+1/4'\n 9 'z, x, y'\n 10 'z+1/4, -y+1/4, x+1/4'\n 11 'z+1/2, -x, -y+1/2'\n 12 'z+3/4, y+3/4, -x+1/4'\n 13 '-z, x, -y'\n 14 '-z+3/4, -y+1/4, -x+3/4'\n 15 '-z+1/2, -x, y+1/2'\n 16 '-z+1/4, y+3/4, x+3/4'\n 17 'y, z, x'\n 18 'x+1/4, z+1/4, -y+1/4'\n 19 '-y+1/2, z+1/2, -x'\n 20 '-x+1/4, z+3/4, y+3/4'\n 21 '-y, -z, x'\n 22 '-x+3/4, -z+3/4, -y+1/4'\n 23 'y+1/2, -z+1/2, -x'\n 24 'x+3/4, -z+1/4, y+3/4'\n 25 '-x+1/4, -y+1/4, -z+1/4'\n 26 'y, -x, -z'\n 27 'x+1/4, y+3/4, -z+3/4'\n 28 '-y+1/2, x, -z+1/2'\n 29 '-x+1/4, y+1/4, z+1/4'\n 30 'y, x+1/2, z+1/2'\n 31 'x+1/4, -y+3/4, z+3/4'\n 32 '-y+1/2, -x+1/2, z'\n 33 '-z+1/4, -x+1/4, -y+1/4'\n 34 '-z, y, -x'\n 35 '-z+3/4, x+1/4, y+3/4'\n 36 '-z+1/2, -y+1/2, x'\n 37 'z+1/4, -x+1/4, y+1/4'\n 38 'z+1/2, y, x+1/2'\n 39 'z+3/4, x+1/4, -y+3/4'\n 40 'z, -y+1/2, -x+1/2'\n 41 '-y+1/4, -z+1/4, -x+1/4'\n 42 '-x, -z, y'\n 43 'y+3/4, -z+3/4, x+1/4'\n 44 'x, -z+1/2, -y+1/2'\n 45 'y+1/4, z+1/4, -x+1/4'\n 46 'x+1/2, z+1/2, y'\n 47 '-y+3/4, z+3/4, x+1/4'\n 48 '-x+1/2, z, -y+1/2'\n 49 'x+1/2, y+1/2, z'\n 50 '-y+3/4, x+3/4, z+1/4'\n 51 '-x+1/2, -y, z+1/2'\n 52 'y+1/4, -x+3/4, z+3/4'\n 53 'x+1/2, -y+1/2, -z'\n 54 '-y+3/4, -x+1/4, -z+3/4'\n 55 '-x+1/2, y, -z+1/2'\n 56 'y+1/4, x+1/4, -z+1/4'\n 57 'z+1/2, x+1/2, y'\n 58 'z+3/4, -y+3/4, x+1/4'\n 59 'z, -x+1/2, -y+1/2'\n 60 'z+1/4, y+1/4, -x+1/4'\n 61 '-z+1/2, x+1/2, -y'\n 62 '-z+1/4, -y+3/4, -x+3/4'\n 63 '-z, -x+1/2, y+1/2'\n 64 '-z+3/4, y+1/4, x+3/4'\n 65 'y+1/2, z+1/2, x'\n 66 'x+3/4, z+3/4, -y+1/4'\n 67 '-y, z, -x'\n 68 '-x+3/4, z+1/4, y+3/4'\n 69 '-y+1/2, -z+1/2, x'\n 70 '-x+1/4, -z+1/4, -y+1/4'\n 71 'y, -z, -x'\n 72 'x+1/4, -z+3/4, y+3/4'\n 73 '-x+3/4, -y+3/4, -z+1/4'\n 74 'y+1/2, -x+1/2, -z'\n 75 'x+3/4, y+1/4, -z+3/4'\n 76 '-y, x+1/2, -z+1/2'\n 77 '-x+3/4, y+3/4, z+1/4'\n 78 'y+1/2, x, z+1/2'\n 79 'x+3/4, -y+1/4, z+3/4'\n 80 '-y, -x, z'\n 81 '-z+3/4, -x+3/4, -y+1/4'\n 82 '-z+1/2, y+1/2, -x'\n 83 '-z+1/4, x+3/4, y+3/4'\n 84 '-z, -y, x'\n 85 'z+3/4, -x+3/4, y+1/4'\n 86 'z, y+1/2, x+1/2'\n 87 'z+1/4, x+3/4, -y+3/4'\n 88 'z+1/2, -y, -x+1/2'\n 89 '-y+3/4, -z+3/4, -x+1/4'\n 90 '-x+1/2, -z+1/2, y'\n 91 'y+1/4, -z+1/4, x+1/4'\n 92 'x+1/2, -z, -y+1/2'\n 93 'y+3/4, z+3/4, -x+1/4'\n 94 'x, z, y'\n 95 '-y+1/4, z+1/4, x+1/4'\n 96 '-x, z+1/2, -y+1/2'\n 97 'x+1/2, y, z+1/2'\n 98 '-y+3/4, x+1/4, z+3/4'\n 99 '-x+1/2, -y+1/2, z'\n 100 'y+1/4, -x+1/4, z+1/4'\n 101 'x+1/2, -y, -z+1/2'\n 102 '-y+3/4, -x+3/4, -z+1/4'\n 103 '-x+1/2, y+1/2, -z'\n 104 'y+1/4, x+3/4, -z+3/4'\n 105 'z+1/2, x, y+1/2'\n 106 'z+3/4, -y+1/4, x+3/4'\n 107 'z, -x, -y'\n 108 'z+1/4, y+3/4, -x+3/4'\n 109 '-z+1/2, x, -y+1/2'\n 110 '-z+1/4, -y+1/4, -x+1/4'\n 111 '-z, -x, y'\n 112 '-z+3/4, y+3/4, x+1/4'\n 113 'y+1/2, z, x+1/2'\n 114 'x+3/4, z+1/4, -y+3/4'\n 115 '-y, z+1/2, -x+1/2'\n 116 '-x+3/4, z+3/4, y+1/4'\n 117 '-y+1/2, -z, x+1/2'\n 118 '-x+1/4, -z+3/4, -y+3/4'\n 119 'y, -z+1/2, -x+1/2'\n 120 'x+1/4, -z+1/4, y+1/4'\n 121 '-x+3/4, -y+1/4, -z+3/4'\n 122 'y+1/2, -x, -z+1/2'\n 123 'x+3/4, y+3/4, -z+1/4'\n 124 '-y, x, -z'\n 125 '-x+3/4, y+1/4, z+3/4'\n 126 'y+1/2, x+1/2, z'\n 127 'x+3/4, -y+3/4, z+1/4'\n 128 '-y, -x+1/2, z+1/2'\n 129 '-z+3/4, -x+1/4, -y+3/4'\n 130 '-z+1/2, y, -x+1/2'\n 131 '-z+1/4, x+1/4, y+1/4'\n 132 '-z, -y+1/2, x+1/2'\n 133 'z+3/4, -x+1/4, y+3/4'\n 134 'z, y, x'\n 135 'z+1/4, x+1/4, -y+1/4'\n 136 'z+1/2, -y+1/2, -x'\n 137 '-y+3/4, -z+1/4, -x+3/4'\n 138 '-x+1/2, -z, y+1/2'\n 139 'y+1/4, -z+3/4, x+3/4'\n 140 'x+1/2, -z+1/2, -y'\n 141 'y+3/4, z+1/4, -x+3/4'\n 142 'x, z+1/2, y+1/2'\n 143 '-y+1/4, z+3/4, x+3/4'\n 144 '-x, z, -y'\n 145 'x, y+1/2, z+1/2'\n 146 '-y+1/4, x+3/4, z+3/4'\n 147 '-x, -y, z'\n 148 'y+3/4, -x+3/4, z+1/4'\n 149 'x, -y+1/2, -z+1/2'\n 150 '-y+1/4, -x+1/4, -z+1/4'\n 151 '-x, y, -z'\n 152 'y+3/4, x+1/4, -z+3/4'\n 153 'z, x+1/2, y+1/2'\n 154 'z+1/4, -y+3/4, x+3/4'\n 155 'z+1/2, -x+1/2, -y'\n 156 'z+3/4, y+1/4, -x+3/4'\n 157 '-z, x+1/2, -y+1/2'\n 158 '-z+3/4, -y+3/4, -x+1/4'\n 159 '-z+1/2, -x+1/2, y'\n 160 '-z+1/4, y+1/4, x+1/4'\n 161 'y, z+1/2, x+1/2'\n 162 'x+1/4, z+3/4, -y+3/4'\n 163 '-y+1/2, z, -x+1/2'\n 164 '-x+1/4, z+1/4, y+1/4'\n 165 '-y, -z+1/2, x+1/2'\n 166 '-x+3/4, -z+1/4, -y+3/4'\n 167 'y+1/2, -z, -x+1/2'\n 168 'x+3/4, -z+3/4, y+1/4'\n 169 '-x+1/4, -y+3/4, -z+3/4'\n 170 'y, -x+1/2, -z+1/2'\n 171 'x+1/4, y+1/4, -z+1/4'\n 172 '-y+1/2, x+1/2, -z'\n 173 '-x+1/4, y+3/4, z+3/4'\n 174 'y, x, z'\n 175 'x+1/4, -y+1/4, z+1/4'\n 176 '-y+1/2, -x, z+1/2'\n 177 '-z+1/4, -x+3/4, -y+3/4'\n 178 '-z, y+1/2, -x+1/2'\n 179 '-z+3/4, x+3/4, y+1/4'\n 180 '-z+1/2, -y, x+1/2'\n 181 'z+1/4, -x+3/4, y+3/4'\n 182 'z+1/2, y+1/2, x'\n 183 'z+3/4, x+3/4, -y+1/4'\n 184 'z, -y, -x'\n 185 '-y+1/4, -z+3/4, -x+3/4'\n 186 '-x, -z+1/2, y+1/2'\n 187 'y+3/4, -z+1/4, x+3/4'\n 188 'x, -z, -y'\n 189 'y+1/4, z+3/4, -x+3/4'\n 190 'x+1/2, z, y+1/2'\n 191 '-y+3/4, z+1/4, x+3/4'\n 192 '-x+1/2, z+1/2, -y'\nloop_\n _atom_type_symbol\n _atom_type_oxidation_number\n Si4+ 4.0\n O2- -2.0\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Si4+ Si0 8 0.00000000 0.00000000 0.00000000 1\n O2- O1 16 0.12500000 0.12500000 0.12500000 1\n" }, { "path": "pyxtal/database/cifs/ht_quartz.cif", "content": "data_global\n_chemical_name_mineral 'Quartz'\nloop_\n_publ_author_name\n'Kihara K'\n_journal_name_full 'European Journal of Mineralogy'\n_journal_volume 2 \n_journal_year 1990\n_journal_page_first 63\n_journal_page_last 77\n_publ_section_title\n;\n An X-ray study of the temperature dependence of the quartz structure\n Sample: at T = 848 K\n;\n_database_code_amcsd 0006370\n_chemical_formula_sum 'Si O2'\n_cell_length_a 4.9965\n_cell_length_b 4.9965\n_cell_length_c 5.4570\n_cell_angle_alpha 90\n_cell_angle_beta 90\n_cell_angle_gamma 120\n_cell_volume 117.982\n_exptl_crystal_density_diffrn 2.537\n_symmetry_space_group_name_H-M 'P 62 2 2'\nloop_\n_space_group_symop_operation_xyz\n 'x,y,z'\n 'x,x-y,1/3-z'\n 'x-y,x,1/3+z'\n 'y,x,2/3-z'\n '-y,x-y,2/3+z'\n '-x+y,y,-z'\n '-x,-y,z'\n '-x,-x+y,1/3-z'\n '-x+y,-x,1/3+z'\n '-y,-x,2/3-z'\n 'y,-x+y,2/3+z'\n 'x-y,-y,-z'\nloop_\n_atom_site_label\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\nSi 0.50000 0.00000 0.00000\nO 0.41520 0.20760 0.16667\nloop_\n_atom_site_aniso_label\n_atom_site_aniso_U_11\n_atom_site_aniso_U_22\n_atom_site_aniso_U_33\n_atom_site_aniso_U_12\n_atom_site_aniso_U_13\n_atom_site_aniso_U_23\nSi 0.02646 0.02011 0.01991 0.01005 0.00000 0.00000\nO 0.04942 0.05464 0.05853 0.02471 0.00000 -0.03218\n" }, { "path": "pyxtal/database/cifs/ice.cif", "content": "# generated using pymatgen\ndata_H2O\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.45238200\n_cell_length_b 7.70757000\n_cell_length_c 7.27885800\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural H2O\n_chemical_formula_sum 'H16 O8'\n_cell_volume 249.78890432\n_cell_formula_units_Z 8\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n H H0 1 0.50000000 0.16268400 0.30287500 1\n H H1 1 0.50000000 0.83731600 0.80287500 1\n H H2 1 0.50000000 0.04022400 0.48041700 1\n H H3 1 0.50000000 0.95977600 0.98041700 1\n H H4 1 0.67871250 0.76954250 0.51677400 1\n H H5 1 0.32128750 0.76954250 0.51677400 1\n H H6 1 0.32128750 0.23045750 0.01677400 1\n H H7 1 0.67871250 0.23045750 0.01677400 1\n H H8 1 0.00000000 0.66268400 0.30287500 1\n H H9 1 0.00000000 0.33731600 0.80287500 1\n H H10 1 0.00000000 0.54022400 0.48041700 1\n H H11 1 0.00000000 0.45977600 0.98041700 1\n H H12 1 0.17871250 0.26954250 0.51677400 1\n H H13 1 0.82128750 0.26954250 0.51677400 1\n H H14 1 0.82128750 0.73045750 0.01677400 1\n H H15 1 0.17871250 0.73045750 0.01677400 1\n O O16 1 0.50000000 0.16460900 0.43975100 1\n O O17 1 0.50000000 0.83539100 0.93975100 1\n O O18 1 0.50000000 0.83344400 0.56540900 1\n O O19 1 0.50000000 0.16655600 0.06540900 1\n O O20 1 0.00000000 0.66460900 0.43975100 1\n O O21 1 0.00000000 0.33539100 0.93975100 1\n O O22 1 0.00000000 0.33344400 0.56540900 1\n O O23 1 0.00000000 0.66655600 0.06540900 1\n" }, { "path": "pyxtal/database/cifs/lt_KNbBO.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 0.5.2)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at University of Nevada Las Vegas #\n#############################################################\ndata_from_pyxtal\n\n_symmetry_space_group_name_H-M 'Pmc21'\n_symmetry_Int_Tables_number 26\n_symmetry_cell_setting orthorhombic\n_cell_length_a 15.431269\n_cell_length_b 4.050160\n_cell_length_c 17.805399\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 90.000000\n_cell_volume 1112.821563\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x, -y, z+1/2'\n3 'x, -y, z+1/2'\n4 '-x, y, z'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nB B 4 0.166738 0.009101 0.717226 1\nB B 4 0.333339 0.996626 0.967119 1\nO O 2 0.000000 0.999656 0.557119 1\nO O 4 0.252202 0.006797 0.499274 1\nO O 4 0.089573 0.995916 0.922402 1\nO O 4 0.752192 0.020018 0.749443 1\nO O 4 0.593969 0.975969 0.011749 1\nO O 4 0.841585 0.008675 0.640218 1\nO O 4 0.589643 0.987378 0.172279 1\nO O 2 0.500000 0.520736 0.586057 1\nO O 4 0.369201 0.481834 0.282516 1\nO O 4 0.658205 0.020783 0.890312 1\nO O 4 0.130819 0.493145 0.032452 1\nO O 2 0.500000 0.988943 0.306962 1\nO O 2 0.000000 0.499645 0.836279 1\nO O 4 0.094015 0.000215 0.261954 1\nK K 2 0.500000 0.506828 0.418920 1\nK K 4 0.798347 0.496866 0.866351 1\nK K 4 0.298499 0.491382 0.616163 1\nK K 2 0.000000 0.485267 0.668947 1\nNb Nb 4 0.123539 0.964534 0.528996 1\nNb Nb 4 0.376444 0.024311 0.278993 1\nNb Nb 2 0.000000 0.957299 0.843643 1\nNb Nb 2 0.500000 0.021607 0.093445 1\n#END\n\n" }, { "path": "pyxtal/database/cifs/lt_cristobalite.cif", "content": "# generated using pymatgen\ndata_SiO2\n_symmetry_space_group_name_H-M P4_12_12\n_cell_length_a 5.08470100\n_cell_length_b 5.08470100\n_cell_length_c 7.09857900\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 92\n_chemical_formula_structural SiO2\n_chemical_formula_sum 'Si4 O8'\n_cell_volume 183.52796945\n_cell_formula_units_Z 4\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\n 2 '-y+1/2, x+1/2, z+1/4'\n 3 '-x, -y, z+1/2'\n 4 'y+1/2, -x+1/2, z+3/4'\n 5 'x+1/2, -y+1/2, -z+3/4'\n 6 '-y, -x, -z+1/2'\n 7 '-x+1/2, y+1/2, -z+1/4'\n 8 'y, x, -z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Si Si0 4 0.20555000 0.79445000 0.25000000 1\n O O1 8 0.09410300 0.24102200 0.82564100 1\n" }, { "path": "pyxtal/database/cifs/lt_quartz.cif", "content": "# generated using pymatgen\ndata_SiO2\n_symmetry_space_group_name_H-M P3_221\n_cell_length_a 5.02778205\n_cell_length_b 5.02778205\n_cell_length_c 5.51891800\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000000\n_symmetry_Int_Tables_number 154\n_chemical_formula_structural SiO2\n_chemical_formula_sum 'Si3 O6'\n_cell_volume 120.81961853\n_cell_formula_units_Z 3\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\n 2 '-y, x-y, z+2/3'\n 3 '-x+y, -x, z+1/3'\n 4 'y, x, -z'\n 5 'x-y, -y, -z+1/3'\n 6 '-x, -x+y, -z+2/3'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Si Si0 3 0.00000000 0.47729000 0.33333333 1\n O O1 6 0.16074000 0.74570300 0.53733367 1\n" }, { "path": "pyxtal/database/cifs/naphthalene.cif", "content": "\n#######################################################################\n#\n# Cambridge Crystallographic Data Centre\n# CCDC \n#\n#######################################################################\n#\n# If this CIF has been generated from an entry in the Cambridge \n# Structural Database, then it will include bibliographic, chemical, \n# crystal, experimental, refinement or atomic coordinate data resulting \n# from the CCDC's data processing and validation procedures.\n#\n#######################################################################\n\ndata_NAPHTA04\n_symmetry_cell_setting monoclinic\n_symmetry_space_group_name_H-M 'P 21/a'\n_symmetry_Int_Tables_number 14\n_space_group_name_Hall '-P 2yab'\nloop_\n_symmetry_equiv_pos_site_id\n_symmetry_equiv_pos_as_xyz\n1 x,y,z\n2 1/2-x,1/2+y,-z\n3 -x,-y,-z\n4 1/2+x,1/2-y,z\n_cell_length_a 8.098(7)\n_cell_length_b 5.953(5)\n_cell_length_c 8.652(7)\n_cell_angle_alpha 90\n_cell_angle_beta 124.400(5)\n_cell_angle_gamma 90\n_cell_volume 344.147\nloop_\n_atom_site_label\n_atom_site_type_symbol\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\nC1 C 0.08232 0.01856 0.32836\nC2 C 0.11295 0.16384 0.22289\nC3 C 0.04799 0.10518 0.03714\nC4 C 0.07656 0.25183 -0.07582\nC5 C -0.01320 -0.19021 0.25460\nH1 H 0.12420 0.05890 0.45540\nH2 H 0.17870 0.30560 0.27110\nH3 H 0.14180 0.39070 -0.02360\nH4 H -0.03330 -0.29520 0.33130\n#END\n" }, { "path": "pyxtal/database/cifs/resorcinol.cif", "content": "####################################################################### \r\n# \r\n# This file contains crystal structure data downloaded from the \r\n# Cambridge Structural Database (CSD) hosted by the Cambridge \r\n# Crystallographic Data Centre (CCDC).\r\n# \r\n# Full information about CCDC data access policies and citation \r\n# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 \r\n# \r\n# Audit and citation data items may have been added by the CCDC. \r\n# Please retain this information to preserve the provenance of \r\n# this file and to allow appropriate attribution of the data. \r\n# \r\n#######################################################################\r\n\r\ndata_Resorcinol_epsilon\r\n_audit_block_doi 10.5517/ccdc.csd.cc209zs3\r\n_database_code_depnum_ccdc_archive 'CCDC 1856645'\r\nloop_\r\n_citation_id\r\n_citation_doi\r\n_citation_year\r\n1 10.1021/jacs.6b01120 2016\r\nloop_\r\n_audit_author_name\r\n_audit_author_address\r\n'Alexander Shtukenberg'\r\n;New York University\r\nUnited States of America\r\n;\r\n_audit_update_record \r\n;\r\n2018-07-18 deposited with the CCDC.\t2021-04-12 downloaded from the CCDC.\r\n;\r\n\r\n_chemical_name_systematic \r\n; Resorcinol\r\n;\r\n_chemical_name_common Resorcinol\r\n_chemical_formula_moiety C6\r\n_chemical_formula_iupac Benzene-1,3-diol\r\n_chemical_formula_sum 'C6 H6 O2'\r\n_chemical_formula_weight 110.1\r\n_chemical_melting_point 371\r\n\r\n\r\nloop_\r\n_atom_type_symbol\r\n_atom_type_scat_Cromer_Mann_a1\r\n_atom_type_scat_Cromer_Mann_b1\r\n_atom_type_scat_Cromer_Mann_a2\r\n_atom_type_scat_Cromer_Mann_b2\r\n_atom_type_scat_Cromer_Mann_a3\r\n_atom_type_scat_Cromer_Mann_b3\r\n_atom_type_scat_Cromer_Mann_a4\r\n_atom_type_scat_Cromer_Mann_b4\r\n_atom_type_scat_Cromer_Mann_c\r\n_atom_type_scat_dispersion_real\r\n_atom_type_scat_dispersion_imag\r\n_atom_type_scat_source\r\nc 2.31000 20.84390 1.02000 10.20750 1.58860 0.56870 0.86500 51.65120 0.21560\r\n0.00000 0.00100\r\nInternational_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5\r\no 3.04850 13.27710 2.28680 5.70110 1.54630 0.32390 0.86700 32.90890 0.25080\r\n0.00300 0.00400\r\nInternational_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5\r\nh 0.49300 10.51090 0.32291 26.12570 0.14019 3.14236 0.04081 57.79970 0.00304\r\n0.00000 0.00000\r\nInternational_Tables_for_Crystallography_Vol.C(1991)_Tables_6.1.1.4_and_6.1.1.5\r\n\r\n\r\n_symmetry_cell_setting Orthorhombic\r\n_symmetry_space_group_name_H-M 'P 21 21 21'\r\n_symmetry_space_group_name_Hall 'P 2ac 2ab'\r\n\r\nloop_\r\n_symmetry_equiv_pos_as_xyz #<--must include 'x,y,z'\r\nx,y,z\r\nx+1/2,-y+1/2,-z\r\n-x,y+1/2,-z+1/2\r\n-x+1/2,-y,z+1/2\r\n\r\n_cell_length_a 17.8998(2)\r\n_cell_length_b 10.56800(12)\r\n_cell_length_c 5.72211(6)\r\n_cell_angle_alpha 90.00000\r\n_cell_angle_beta 90.00000\r\n_cell_angle_gamma 90.00000\r\n_cell_volume 1082.43(2)\r\n_cell_formula_units_Z 8\r\n_cell_measurement_temperature 298\r\n\r\n\r\n# The next three fields give the specimen dimensions in mm. The equatorial\r\n# plane contains the incident and diffracted beam.\r\n\r\n_pd_spec_size_axial 1 # perpendicular to \r\n# equatorial plane\r\n_pd_spec_size_equat 1 # parallel to \r\n# scattering vector\r\n# in transmission\r\n_pd_spec_mounting \r\n; glass calippary\r\n;\r\n_pd_spec_mount_mode transmission\r\n_pd_spec_shape cylinder\r\n_pd_char_colour white\r\n\r\n_pd_instr_location \r\n; ESRF, ID22, Grenoble\r\n;\r\n\r\n\r\n_diffrn_ambient_temperature 298\r\n_diffrn_source synchrotron\r\n_diffrn_radiation_type X-ray\r\n_diffrn_radiation_wavelength 0.410660\r\n\r\n\r\n_pd_proc_ls_prof_R_factor 5.4570\r\n_pd_proc_ls_prof_wR_factor 7.7410\r\n_pd_proc_ls_prof_wR_expected 8.4560\r\n\r\n# The following profile R-factors are CORRECTED for background\r\n# The sum is extended to all non-excluded points.\r\n# These items are not in the current CIF standard, but are defined above\r\n\r\n_pd_proc_ls_prof_cR_factor 25.8653\r\n_pd_proc_ls_prof_cwR_factor 21.2720\r\n_pd_proc_ls_prof_cwR_expected 23.2370\r\n\r\n# The following items are not in the CIF standard, but are defined above\r\n\r\n_pd_proc_ls_prof_chi2 0.8380\r\n_pd_proc_ls_prof_echi2 0.9348\r\n\r\n# Items related to LS refinement\r\n\r\n_refine_ls_R_I_factor 8.5430\r\n_refine_ls_number_reflns 332\r\n_refine_ls_number_parameters 25\r\n_refine_ls_number_restraints 0\r\n\r\n_computing_structure_solution USPEX\r\n_computing_structure_refinement FULLPROF\r\n\r\n\r\nloop_\r\n_atom_site_label\r\n_atom_site_fract_x\r\n_atom_site_fract_y\r\n_atom_site_fract_z\r\n_atom_site_U_iso_or_equiv\r\n_atom_site_occupancy\r\n_atom_site_adp_type # Not in version 2.0.1\r\n_atom_site_type_symbol\r\nRe1 0.98823 1.02316 1.06015 0.00000 1.00000 Uiso C\r\nRe2 0.92803 1.01778 0.90507 0.00000 1.00000 Uiso C\r\nRe3 1.04917 0.94162 1.03664 0.00000 1.00000 Uiso C\r\nRe4 0.92882 0.92843 0.72523 0.00000 1.00000 Uiso C\r\nRe5 1.04889 0.85395 0.85462 0.00000 1.00000 Uiso C\r\nRe6 0.98929 0.84596 0.69838 0.00000 1.00000 Uiso C\r\nRe7 0.98996 1.11030 1.24008 0.00000 1.00000 Uiso O\r\nRe8 0.86822 0.92548 0.57735 0.00000 1.00000 Uiso O\r\nRe9 0.93881 1.14199 1.27295 0.00000 1.00000 Uiso H\r\nRe10 0.88034 1.08055 0.92607 0.00000 1.00000 Uiso H\r\nRe11 1.09544 0.94668 1.15951 0.00000 1.00000 Uiso H\r\nRe12 1.09606 0.78984 0.83539 0.00000 1.00000 Uiso H\r\nRe13 0.98955 0.77636 0.55879 0.00000 1.00000 Uiso H\r\nRe14 0.87369 0.85661 0.45905 0.00000 1.00000 Uiso H\r\nRs1 0.21749 0.71685 1.12950 0.00000 1.00000 Uiso C\r\nRs2 0.26939 0.69843 0.95033 0.00000 1.00000 Uiso C\r\nRs3 0.22651 0.81466 1.29190 0.00000 1.00000 Uiso C\r\nRs4 0.33166 0.77810 0.93661 0.00000 1.00000 Uiso C\r\nRs5 0.28891 0.89304 1.27415 0.00000 1.00000 Uiso C\r\nRs6 0.34202 0.87590 1.09837 0.00000 1.00000 Uiso C\r\nRs7 0.15634 0.63921 1.15314 0.00000 1.00000 Uiso O\r\nRs8 0.38187 0.75569 0.76031 0.00000 1.00000 Uiso O\r\nRs9 0.15727 0.56413 1.04701 0.00000 1.00000 Uiso H\r\nRs10 0.26263 0.62132 0.82580 0.00000 1.00000 Uiso H\r\nRs11 0.18589 0.82724 1.43151 0.00000 1.00000 Uiso H\r\nRs12 0.29639 0.96859 1.40137 0.00000 1.00000 Uiso H\r\nRs13 0.39121 0.93630 1.08888 0.00000 1.00000 Uiso H\r\nRs14 0.42646 0.81156 0.77063 0.00000 1.00000 Uiso H\r\n\r\n#loop_\r\n# _geom_bond_atom_site_label_1\r\n# _geom_bond_atom_site_label_2\r\n# _geom_bond_distance\r\n# _geom_bond_site_symmetry_2\r\n# _geom_bond_publ_flag\r\n\r\n#---------------------------needed------------------------------------\r\n\r\n#loop_\r\n# _geom_angle_atom_site_label_1\r\n# _geom_angle_atom_site_label_2\r\n# _geom_angle_atom_site_label_3\r\n# _geom_angle\r\n# _geom_angle_site_symmetry_1\r\n# _geom_angle_site_symmetry_3\r\n# _geom_angle_publ_flag\r\n\r\n#---------------------------needed------------------------------------\r\n\r\n_pd_meas_2theta_range_min 2.200000\r\n_pd_meas_2theta_range_max 18.000000\r\n_pd_meas_2theta_range_inc 0.002000\r\n_pd_proc_2theta_range_min 2.199340\r\n_pd_proc_2theta_range_max 17.999340\r\n_pd_proc_2theta_range_inc 0.002000\r\n\r\nloop_\r\n_pd_proc_point_id\r\n_pd_proc_2theta_corrected\r\n_pd_proc_intensity_total\r\n_pd_calc_intensity_total\r\n_pd_proc_intensity_bkg_calc\r\n\r\n1 2.1993 263(16) 251.4289 251.4289\r\n2 2.2013 261(16) 251.3482 251.3482\r\n3 2.2033 271(16) 251.2676 251.2676\r\n4 2.2053 256(16) 251.1870 251.1870\r\n5 2.2073 261(16) 251.1064 251.1064\r\n6 2.2093 265(16) 251.0258 251.0258\r\n7 2.2113 280(17) 250.9453 250.9453\r\n8 2.2133 263(16) 250.8649 250.8649\r\n9 2.2153 246(16) 250.7844 250.7844\r\n10 2.2173 263(16) 250.7041 250.7041\r\n11 2.2193 261(16) 250.6237 250.6237\r\n12 2.2213 256(16) 250.5433 250.5433\r\n13 2.2233 259(16) 250.4630 250.4630\r\n14 2.2253 259(16) 250.3828 250.3828\r\n15 2.2273 250(16) 250.3026 250.3026\r\n16 2.2293 253(16) 250.2224 250.2224\r\n17 2.2313 249(16) 250.1422 250.1422\r\n18 2.2333 254(16) 250.0620 250.0620\r\n19 2.2353 262(16) 249.9820 249.9820\r\n20 2.2373 264(16) 249.9019 249.9019\r\n21 2.2393 265(16) 249.8219 249.8219\r\n22 2.2413 266(16) 249.7419 249.7419\r\n23 2.2433 262(16) 249.6619 249.6619\r\n24 2.2453 280(17) 249.5820 249.5820\r\n25 2.2473 256(16) 249.5021 249.5021\r\n26 2.2493 255(16) 249.4222 249.4222\r\n27 2.2513 251(16) 249.3424 249.3424\r\n28 2.2533 271(16) 249.2626 249.2626\r\n29 2.2553 261(16) 249.1829 249.1829\r\n30 2.2573 249(16) 249.1031 249.1031\r\n31 2.2593 259(16) 249.0235 249.0235\r\n32 2.2613 258(16) 248.9438 248.9438\r\n33 2.2633 260(16) 248.8642 248.8642\r\n34 2.2653 266(16) 248.7846 248.7846\r\n35 2.2673 265(16) 248.7051 248.7051\r\n36 2.2693 254(16) 248.6255 248.6255\r\n37 2.2713 268(16) 248.5461 248.5461\r\n38 2.2733 252(16) 248.4666 248.4666\r\n39 2.2753 256(16) 248.3872 248.3872\r\n40 2.2773 255(16) 248.3078 248.3078\r\n41 2.2793 243(16) 248.2284 248.2284\r\n42 2.2813 241(16) 248.1491 248.1491\r\n43 2.2833 252(16) 248.0698 248.0698\r\n44 2.2853 258(16) 247.9906 247.9906\r\n45 2.2873 254(16) 247.9114 247.9114\r\n46 2.2893 251(16) 247.8322 247.8322\r\n47 2.2913 266(16) 247.7531 247.7531\r\n48 2.2933 258(16) 247.6739 247.6739\r\n49 2.2953 244(16) 247.5948 247.5948\r\n50 2.2973 247(16) 247.5158 247.5158\r\n51 2.2993 274(17) 247.4368 247.4368\r\n52 2.3013 239(15) 247.3578 247.3578\r\n53 2.3033 258(16) 247.2788 247.2788\r\n54 2.3053 249(16) 247.1999 247.1999\r\n55 2.3073 252(16) 247.1210 247.1210\r\n56 2.3093 250(16) 247.0422 247.0422\r\n57 2.3113 258(16) 246.9634 246.9634\r\n58 2.3133 251(16) 246.8846 246.8846\r\n59 2.3153 246(16) 246.8058 246.8058\r\n60 2.3173 257(16) 246.7271 246.7271\r\n61 2.3193 253(16) 246.6484 246.6484\r\n62 2.3213 257(16) 246.5698 246.5698\r\n63 2.3233 253(16) 246.4911 246.4911\r\n64 2.3253 258(16) 246.4126 246.4126\r\n65 2.3273 245(16) 246.3340 246.3340\r\n66 2.3293 251(16) 246.2555 246.2555\r\n67 2.3313 258(16) 246.1770 246.1770\r\n68 2.3333 261(16) 246.0986 246.0986\r\n69 2.3353 245(16) 246.0202 246.0202\r\n70 2.3373 241(16) 245.9418 245.9418\r\n71 2.3393 252(16) 245.8634 245.8634\r\n72 2.3413 257(16) 245.7851 245.7851\r\n73 2.3433 247(16) 245.7068 245.7068\r\n74 2.3453 250(16) 245.6286 245.6286\r\n75 2.3473 245(16) 245.5503 245.5503\r\n76 2.3493 253(16) 245.4722 245.4722\r\n77 2.3513 247(16) 245.3940 245.3940\r\n78 2.3533 255(16) 245.3159 245.3159\r\n79 2.3553 245(16) 245.2378 245.2378\r\n80 2.3573 257(16) 245.1598 245.1598\r\n81 2.3593 253(16) 245.0817 245.0817\r\n82 2.3613 251(16) 245.0037 245.0037\r\n83 2.3633 250(16) 244.9258 244.9258\r\n84 2.3653 263(16) 244.8479 244.8479\r\n85 2.3673 257(16) 244.7699 244.7699\r\n86 2.3693 255(16) 244.6921 244.6921\r\n87 2.3713 255(16) 244.6143 244.6143\r\n88 2.3733 241(16) 244.5365 244.5365\r\n89 2.3753 244(16) 244.4587 244.4587\r\n90 2.3773 245(16) 244.3810 244.3810\r\n91 2.3793 252(16) 244.3033 244.3033\r\n92 2.3813 236(15) 244.2256 244.2256\r\n93 2.3833 251(16) 244.1480 244.1480\r\n94 2.3853 231(15) 244.0704 244.0704\r\n95 2.3873 248(16) 243.9928 243.9928\r\n96 2.3893 259(16) 243.9153 243.9153\r\n97 2.3913 254(16) 243.8378 243.8378\r\n98 2.3933 237(15) 243.7603 243.7603\r\n99 2.3953 253(16) 243.6829 243.6829\r\n100 2.3973 256(16) 243.6055 243.6055\r\n101 2.3993 247(16) 243.5281 243.5281\r\n102 2.4013 249(16) 243.4508 243.4508\r\n103 2.4033 244(16) 243.3735 243.3735\r\n104 2.4053 248(16) 243.2962 243.2962\r\n105 2.4073 244(16) 243.2190 243.2190\r\n106 2.4093 240(16) 243.1418 243.1418\r\n107 2.4113 252(16) 243.0646 243.0646\r\n108 2.4133 246(16) 242.9875 242.9875\r\n109 2.4153 248(16) 242.9104 242.9104\r\n110 2.4173 244(16) 242.8333 242.8333\r\n111 2.4193 247(16) 242.7562 242.7562\r\n112 2.4213 250(16) 242.6792 242.6792\r\n113 2.4233 242(16) 242.6023 242.6023\r\n114 2.4253 251(16) 242.5253 242.5253\r\n115 2.4273 249(16) 242.4484 242.4484\r\n116 2.4293 250(16) 242.3715 242.3715\r\n117 2.4313 248(16) 242.2946 242.2946\r\n118 2.4333 249(16) 242.2178 242.2178\r\n119 2.4353 237(15) 242.1410 242.1410\r\n120 2.4373 245(16) 242.0643 242.0643\r\n121 2.4393 240(15) 241.9876 241.9876\r\n122 2.4413 248(16) 241.9109 241.9109\r\n123 2.4433 244(16) 241.8342 241.8342\r\n124 2.4453 247(16) 241.7576 241.7576\r\n125 2.4473 233(15) 241.6810 241.6810\r\n126 2.4493 245(16) 241.6044 241.6044\r\n127 2.4513 243(16) 241.5279 241.5279\r\n128 2.4533 248(16) 241.4514 241.4514\r\n129 2.4553 249(16) 241.3750 241.3750\r\n130 2.4573 244(16) 241.2985 241.2985\r\n131 2.4593 231(15) 241.2221 241.2221\r\n132 2.4613 237(15) 241.1457 241.1457\r\n133 2.4633 241(16) 241.0694 241.0694\r\n134 2.4653 242(16) 240.9931 240.9931\r\n135 2.4673 243(16) 240.9168 240.9168\r\n136 2.4693 233(15) 240.8406 240.8406\r\n137 2.4713 246(16) 240.7644 240.7644\r\n138 2.4733 257(16) 240.6882 240.6882\r\n139 2.4753 236(15) 240.6120 240.6120\r\n140 2.4773 251(16) 240.5359 240.5359\r\n141 2.4793 229(15) 240.4598 240.4598\r\n142 2.4813 239(15) 240.3838 240.3838\r\n143 2.4833 233(15) 240.3078 240.3078\r\n144 2.4853 238(15) 240.2318 240.2318\r\n145 2.4873 230(15) 240.1558 240.1558\r\n146 2.4893 235(15) 240.0799 240.0799\r\n147 2.4913 234(15) 240.0040 240.0040\r\n148 2.4933 238(15) 240.4081 239.9282\r\n149 2.4953 239(15) 240.3537 239.8523\r\n150 2.4973 236(15) 240.3007 239.7765\r\n151 2.4993 237(15) 240.2494 239.7008\r\n152 2.5013 245(16) 240.1998 239.6250\r\n153 2.5033 243(16) 240.1522 239.5493\r\n154 2.5053 240(15) 240.1067 239.4736\r\n155 2.5073 240(16) 240.0636 239.3980\r\n156 2.5093 242(16) 240.0231 239.3224\r\n157 2.5113 244(16) 239.9855 239.2468\r\n158 2.5133 235(15) 239.9511 239.1713\r\n159 2.5153 223(15) 239.9202 239.0958\r\n160 2.5173 231(15) 239.8933 239.0203\r\n161 2.5193 238(15) 239.8708 238.9448\r\n162 2.5213 258(16) 239.8533 238.8694\r\n163 2.5233 243(16) 239.8415 238.7940\r\n164 2.5253 243(16) 239.8360 238.7187\r\n165 2.5273 242(16) 239.8377 238.6433\r\n166 2.5293 242(16) 239.8477 238.5681\r\n167 2.5313 247(16) 239.8672 238.4928\r\n168 2.5333 231(15) 239.8976 238.4175\r\n169 2.5353 237(15) 239.9406 238.3424\r\n170 2.5373 227(15) 240.5168 238.2672\r\n171 2.5393 228(15) 240.6149 238.1921\r\n172 2.5413 244(16) 240.7350 238.1170\r\n173 2.5433 250(16) 240.8809 238.0419\r\n174 2.5453 235(15) 241.0572 237.9668\r\n175 2.5473 233(15) 241.2699 237.8918\r\n176 2.5493 239(15) 241.5255 237.8168\r\n177 2.5513 227(15) 241.8320 237.7419\r\n178 2.5533 231(15) 242.1979 237.6670\r\n179 2.5553 240(15) 242.6325 237.5921\r\n180 2.5573 240(16) 243.1474 237.5172\r\n181 2.5593 238(15) 243.7621 237.4424\r\n182 2.5613 245(16) 244.5200 237.3676\r\n183 2.5633 254(16) 245.5238 237.2928\r\n184 2.5653 247(16) 247.0101 237.2181\r\n185 2.5673 249(16) 249.5121 237.1434\r\n186 2.5693 253(16) 254.2551 237.0688\r\n187 2.5713 249(16) 264.1875 236.9941\r\n188 2.5733 293(17) 286.1768 236.9195\r\n189 2.5753 336(18) 333.2971 236.8449\r\n190 2.5773 402(20) 421.1605 236.7704\r\n191 2.5793 477(22) 549.6290 236.6959\r\n192 2.5813 587(24) 677.7179 236.6214\r\n193 2.5833 615(25) 727.1694 236.5469\r\n194 2.5853 538(23) 642.3267 236.4725\r\n195 2.5873 426(21) 470.0775 236.3981\r\n196 2.5893 341(18) 326.1014 236.3237\r\n197 2.5913 280(17) 262.2223 236.2494\r\n198 2.5933 276(17) 251.8093 236.1751\r\n199 2.5953 255(16) 255.9946 236.1009\r\n200 2.5973 255(16) 257.8763 236.0266\r\n201 2.5993 235(15) 256.8071 235.9524\r\n202 2.6013 239(15) 255.1819 235.8782\r\n203 2.6033 244(16) 253.8781 235.8041\r\n204 2.6053 234(15) 252.9440 235.7299\r\n205 2.6073 241(16) 252.4800 235.6559\r\n206 2.6093 237(15) 252.8381 235.5818\r\n207 2.6113 251(16) 254.7454 235.5078\r\n208 2.6133 255(16) 259.8198 235.4338\r\n209 2.6153 270(16) 271.9677 235.3599\r\n210 2.6173 281(17) 300.0316 235.2859\r\n211 2.6193 339(18) 359.5229 235.2120\r\n212 2.6213 427(21) 465.2682 235.1382\r\n213 2.6233 541(23) 607.9835 235.0643\r\n214 2.6253 736(27) 730.9774 234.9905\r\n215 2.6273 835(29) 748.5980 234.9167\r\n216 2.6293 656(26) 623.9166 234.8430\r\n217 2.6313 404(20) 437.6739 234.7693\r\n218 2.6333 318(18) 306.0910 234.6956\r\n219 2.6353 272(16) 256.8308 234.6219\r\n220 2.6373 250(16) 251.7522 234.5483\r\n221 2.6393 247(16) 254.9209 234.4747\r\n222 2.6413 253(16) 254.7270 234.4011\r\n223 2.6433 243(16) 252.3400 234.3276\r\n224 2.6453 240(15) 249.8264 234.2541\r\n225 2.6473 241(16) 247.6293 234.1806\r\n226 2.6493 234(15) 245.6522 234.1072\r\n227 2.6513 228(15) 243.8779 234.0338\r\n228 2.6533 231(15) 242.3501 233.9604\r\n229 2.6553 229(15) 241.0847 233.8871\r\n230 2.6573 228(15) 240.0562 233.8137\r\n231 2.6593 240(15) 239.2192 233.7404\r\n232 2.6613 232(15) 238.5287 233.6672\r\n233 2.6633 222(15) 237.9479 233.5939\r\n234 2.6653 248(16) 237.4497 233.5207\r\n235 2.6673 228(15) 237.0153 233.4476\r\n236 2.6693 236(15) 236.6312 233.3744\r\n237 2.6713 224(15) 236.2879 233.3013\r\n238 2.6733 231(15) 235.9782 233.2283\r\n239 2.6753 229(15) 235.6966 233.1552\r\n240 2.6773 220(15) 235.4388 233.0822\r\n241 2.6793 221(15) 234.7332 233.0092\r\n242 2.6813 223(15) 234.5321 232.9362\r\n243 2.6833 221(15) 234.3448 232.8633\r\n244 2.6853 235(15) 234.1693 232.7904\r\n245 2.6873 229(15) 234.0041 232.7175\r\n246 2.6893 223(15) 233.8479 232.6447\r\n247 2.6913 229(15) 233.6995 232.5719\r\n248 2.6933 214(15) 233.5581 232.4991\r\n249 2.6953 235(15) 233.4228 232.4264\r\n250 2.6973 224(15) 233.2928 232.3536\r\n251 2.6993 228(15) 233.1677 232.2809\r\n252 2.7013 226(15) 233.0468 232.2083\r\n253 2.7033 230(15) 232.9299 232.1357\r\n254 2.7053 212(15) 232.8163 232.0630\r\n255 2.7073 229(15) 232.7059 231.9905\r\n256 2.7093 224(15) 232.5983 231.9179\r\n257 2.7113 225(15) 232.4932 231.8454\r\n258 2.7133 222(15) 232.3904 231.7729\r\n259 2.7153 222(15) 232.2898 231.7005\r\n260 2.7173 232(15) 232.1910 231.6281\r\n261 2.7193 228(15) 232.0940 231.5557\r\n262 2.7213 234(15) 231.9986 231.4833\r\n263 2.7233 227(15) 231.4110 231.4110\r\n264 2.7253 214(15) 231.3387 231.3387\r\n265 2.7273 226(15) 231.2664 231.2664\r\n266 2.7293 230(15) 231.1942 231.1942\r\n267 2.7313 224(15) 231.1219 231.1219\r\n268 2.7333 230(15) 231.0498 231.0498\r\n269 2.7353 214(15) 230.9776 230.9776\r\n270 2.7373 224(15) 230.9055 230.9055\r\n271 2.7393 222(15) 230.8334 230.8334\r\n272 2.7413 226(15) 230.7614 230.7614\r\n273 2.7433 226(15) 230.6893 230.6893\r\n274 2.7453 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204.0817\r\n674 3.5453 194(14) 204.0203 204.0203\r\n675 3.5473 210(14) 203.9589 203.9589\r\n676 3.5493 211(15) 203.8976 203.8976\r\n677 3.5513 209(14) 203.8363 203.8363\r\n678 3.5533 204(14) 203.7749 203.7749\r\n679 3.5553 196(14) 203.7137 203.7137\r\n680 3.5573 202(14) 203.6524 203.6524\r\n681 3.5593 201(14) 203.5912 203.5912\r\n682 3.5613 213(15) 203.5300 203.5300\r\n683 3.5633 212(15) 203.4688 203.4688\r\n684 3.5653 209(14) 203.4077 203.4077\r\n685 3.5673 208(14) 203.3465 203.3465\r\n686 3.5693 206(14) 203.2854 203.2854\r\n687 3.5713 197(14) 203.2243 203.2243\r\n688 3.5733 200(14) 203.1633 203.1633\r\n689 3.5753 208(14) 203.1022 203.1022\r\n690 3.5773 195(14) 203.0412 203.0412\r\n691 3.5793 201(14) 202.9802 202.9802\r\n692 3.5813 204(14) 202.9193 202.9193\r\n693 3.5833 211(15) 202.8583 202.8583\r\n694 3.5853 217(15) 202.7974 202.7974\r\n695 3.5873 207(14) 202.7365 202.7365\r\n696 3.5893 208(14) 202.6756 202.6756\r\n697 3.5913 193(14) 202.6148 202.6148\r\n698 3.5933 215(15) 202.5540 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182.2409 173.8722\r\n1218 4.6333 194(14) 183.7480 173.8220\r\n1219 4.6353 194(14) 186.0569 173.7719\r\n1220 4.6373 192(14) 189.2276 173.7217\r\n1221 4.6393 190(14) 192.7639 173.6716\r\n1222 4.6413 200(14) 195.5779 173.6215\r\n1223 4.6433 195(14) 196.6029 173.5714\r\n1224 4.6453 192(14) 195.9120 173.5213\r\n1225 4.6473 195(14) 194.9869 173.4712\r\n1226 4.6493 191(14) 195.1445 173.4212\r\n1227 4.6513 205(14) 196.6559 173.3712\r\n1228 4.6533 193(14) 199.3826 173.3212\r\n1229 4.6553 191(14) 203.4876 173.2712\r\n1230 4.6573 204(14) 209.8188 173.2212\r\n1231 4.6593 220(15) 220.4825 173.1712\r\n1232 4.6613 232(15) 240.4625 173.1213\r\n1233 4.6633 287(17) 281.2398 173.0714\r\n1234 4.6653 349(19) 366.0906 173.0215\r\n1235 4.6673 481(22) 530.8587 172.9716\r\n1236 4.6693 763(28) 805.2821 172.9217\r\n1237 4.6713 1158(34) 1167.8628 172.8719\r\n1238 4.6733 1649(41) 1506.8359 172.8221\r\n1239 4.6753 1835(43) 1648.8075 172.7723\r\n1240 4.6773 1593(40) 1483.3206 172.7225\r\n1241 4.6793 1104(33) 1106.9448 172.6727\r\n1242 4.6813 711(27) 744.1241 172.6229\r\n1243 4.6833 447(21) 509.9786 172.5732\r\n1244 4.6853 324(18) 384.5855 172.5235\r\n1245 4.6873 280(17) 315.3273 172.4738\r\n1246 4.6893 243(16) 271.9731 172.4241\r\n1247 4.6913 216(15) 244.2517 172.3744\r\n1248 4.6933 208(14) 227.3245 172.3247\r\n1249 4.6953 194(14) 216.7503 172.2751\r\n1250 4.6973 192(14) 209.3204 172.2255\r\n1251 4.6993 193(14) 203.4816 172.1759\r\n1252 4.7013 192(14) 198.6927 172.1263\r\n1253 4.7033 185(14) 194.7689 172.0767\r\n1254 4.7053 182(13) 191.5821 172.0272\r\n1255 4.7073 186(14) 188.9979 171.9777\r\n1256 4.7093 181(13) 186.8882 171.9282\r\n1257 4.7113 174(13) 185.1446 171.8787\r\n1258 4.7133 177(13) 183.6826 171.8292\r\n1259 4.7153 178(13) 182.4405 171.7797\r\n1260 4.7173 181(13) 181.3721 171.7303\r\n1261 4.7193 174(13) 180.4441 171.6808\r\n1262 4.7213 181(13) 179.6310 171.6314\r\n1263 4.7233 176(13) 178.9134 171.5821\r\n1264 4.7253 172(13) 178.2759 171.5327\r\n1265 4.7273 186(14) 177.7061 171.4833\r\n1266 4.7293 170(13) 177.1940 171.4340\r\n1267 4.7313 185(14) 176.7317 171.3847\r\n1268 4.7333 177(13) 176.3121 171.3354\r\n1269 4.7353 168(13) 175.9296 171.2861\r\n1270 4.7373 178(13) 175.5794 171.2368\r\n1271 4.7393 180(13) 175.2574 171.1876\r\n1272 4.7413 179(13) 174.9488 171.1383\r\n1273 4.7433 175(13) 174.6740 171.0891\r\n1274 4.7453 183(14) 174.4187 171.0399\r\n1275 4.7473 177(13) 174.1807 170.9907\r\n1276 4.7493 163(13) 173.9581 170.9416\r\n1277 4.7513 173(13) 173.7492 170.8924\r\n1278 4.7533 181(13) 173.5526 170.8433\r\n1279 4.7553 171(13) 173.3671 170.7942\r\n1280 4.7573 170(13) 173.1918 170.7451\r\n1281 4.7593 178(13) 173.0255 170.6960\r\n1282 4.7613 172(13) 174.6111 170.6469\r\n1283 4.7633 178(13) 174.5340 170.5979\r\n1284 4.7653 161(13) 174.4686 170.5489\r\n1285 4.7673 171(13) 174.4145 170.4999\r\n1286 4.7693 169(13) 174.3717 170.4509\r\n1287 4.7713 178(13) 174.3404 170.4019\r\n1288 4.7733 179(13) 174.3205 170.3529\r\n1289 4.7753 174(13) 172.6788 170.3040\r\n1290 4.7773 167(13) 172.7473 170.2551\r\n1291 4.7793 187(14) 172.8249 170.2062\r\n1292 4.7813 169(13) 172.9122 170.1573\r\n1293 4.7833 173(13) 173.1388 170.1084\r\n1294 4.7853 181(13) 173.2545 170.0596\r\n1295 4.7873 164(13) 173.3839 170.0107\r\n1296 4.7893 172(13) 173.5288 169.9619\r\n1297 4.7913 161(13) 173.6908 169.9131\r\n1298 4.7933 180(13) 173.8721 169.8643\r\n1299 4.7953 186(14) 174.0752 169.8155\r\n1300 4.7973 174(13) 174.3027 169.7668\r\n1301 4.7993 169(13) 174.5580 169.7181\r\n1302 4.8013 177(13) 174.8448 169.6693\r\n1303 4.8033 180(13) 175.1678 169.6207\r\n1304 4.8053 183(14) 175.5324 169.5720\r\n1305 4.8073 178(13) 175.9448 169.5233\r\n1306 4.8093 179(13) 176.4129 169.4747\r\n1307 4.8113 165(13) 176.9457 169.4260\r\n1308 4.8133 191(14) 177.5545 169.3774\r\n1309 4.8153 185(14) 178.2529 169.3288\r\n1310 4.8173 189(14) 179.0574 169.2802\r\n1311 4.8193 184(14) 179.9886 169.2317\r\n1312 4.8213 186(14) 181.0704 169.1831\r\n1313 4.8233 181(13) 182.3315 169.1346\r\n1314 4.8253 178(13) 183.8067 169.0861\r\n1315 4.8273 176(13) 185.5388 169.0376\r\n1316 4.8293 186(14) 187.5850 168.9891\r\n1317 4.8313 179(13) 190.0346 168.9406\r\n1318 4.8333 188(14) 193.0437 168.8922\r\n1319 4.8353 201(14) 196.9190 168.8438\r\n1320 4.8373 197(14) 202.2825 168.7953\r\n1321 4.8393 211(15) 210.4735 168.7470\r\n1322 4.8413 227(15) 224.5183 168.6986\r\n1323 4.8433 248(16) 251.4157 168.6502\r\n1324 4.8453 289(17) 306.4456 168.6019\r\n1325 4.8473 371(19) 417.5209 168.5536\r\n1326 4.8493 528(23) 620.4348 168.5052\r\n1327 4.8513 870(29) 931.4617 168.4570\r\n1328 4.8533 1413(38) 1301.5293 168.4087\r\n1329 4.8553 1813(43) 1596.1378 168.3605\r\n1330 4.8573 1888(43) 1651.7124 168.3122\r\n1331 4.8593 1508(39) 1411.6924 168.2640\r\n1332 4.8613 1000(32) 1024.4082 168.2158\r\n1333 4.8633 644(25) 693.3854 168.1676\r\n1334 4.8653 409(20) 489.1351 168.1194\r\n1335 4.8673 323(18) 379.0563 168.0712\r\n1336 4.8693 272(16) 318.8333 168.0231\r\n1337 4.8713 241(16) 287.6047 167.9750\r\n1338 4.8733 236(15) 279.4955 167.9269\r\n1339 4.8753 242(16) 289.2338 167.8788\r\n1340 4.8773 263(16) 306.2662 167.8307\r\n1341 4.8793 286(17) 315.9543 167.7827\r\n1342 4.8813 279(17) 306.2205 167.7346\r\n1343 4.8833 241(16) 277.7260 167.6866\r\n1344 4.8853 213(15) 244.9603 167.6386\r\n1345 4.8873 197(14) 220.2177 167.5906\r\n1346 4.8893 191(14) 205.0872 167.5426\r\n1347 4.8913 172(13) 196.0421 167.4947\r\n1348 4.8933 188(14) 190.0930 167.4467\r\n1349 4.8953 172(13) 185.9324 167.3988\r\n1350 4.8973 173(13) 183.0165 167.3509\r\n1351 4.8993 162(13) 180.9304 167.3030\r\n1352 4.9013 175(13) 179.3325 167.2551\r\n1353 4.9033 172(13) 178.0195 167.2073\r\n1354 4.9053 181(13) 176.8979 167.1595\r\n1355 4.9073 173(13) 175.9275 167.1116\r\n1356 4.9093 176(13) 175.0851 167.0638\r\n1357 4.9113 171(13) 174.3509 167.0160\r\n1358 4.9133 167(13) 173.7071 166.9683\r\n1359 4.9153 177(13) 173.1382 166.9205\r\n1360 4.9173 164(13) 172.6313 166.8728\r\n1361 4.9193 164(13) 172.1761 166.8251\r\n1362 4.9213 160(13) 171.7644 166.7774\r\n1363 4.9233 167(13) 171.3899 166.7297\r\n1364 4.9253 173(13) 171.0475 166.6820\r\n1365 4.9273 155(12) 170.7328 166.6343\r\n1366 4.9293 170(13) 170.4425 166.5867\r\n1367 4.9313 169(13) 170.1735 166.5391\r\n1368 4.9333 160(13) 169.9234 166.4915\r\n1369 4.9353 166(13) 169.6900 166.4439\r\n1370 4.9373 159(13) 169.4716 166.3963\r\n1371 4.9393 172(13) 169.2664 166.3488\r\n1372 4.9413 164(13) 169.0733 166.3012\r\n1373 4.9433 162(13) 168.8910 166.2537\r\n1374 4.9453 164(13) 168.7184 166.2062\r\n1375 4.9473 177(13) 168.5546 166.1587\r\n1376 4.9493 167(13) 168.3987 166.1112\r\n1377 4.9513 164(13) 168.2501 166.0638\r\n1378 4.9533 175(13) 168.1082 166.0163\r\n1379 4.9553 162(13) 167.9723 165.9689\r\n1380 4.9573 170(13) 167.8420 165.9215\r\n1381 4.9593 163(13) 166.0826 165.8741\r\n1382 4.9613 166(13) 166.0249 165.8268\r\n1383 4.9633 165(13) 165.9679 165.7794\r\n1384 4.9653 168(13) 165.9117 165.7320\r\n1385 4.9673 159(13) 165.8561 165.6847\r\n1386 4.9693 175(13) 165.8011 165.6374\r\n1387 4.9713 176(13) 165.7466 165.5901\r\n1388 4.9733 160(13) 165.6925 165.5428\r\n1389 4.9753 154(12) 165.6390 165.4956\r\n1390 4.9773 161(13) 165.5858 165.4483\r\n1391 4.9793 170(13) 165.5330 165.4011\r\n1392 4.9813 176(13) 165.3539 165.3539\r\n1393 4.9833 170(13) 165.3067 165.3067\r\n1394 4.9853 161(13) 165.2595 165.2595\r\n1395 4.9873 157(13) 165.2124 165.2124\r\n1396 4.9893 165(13) 165.1652 165.1652\r\n1397 4.9913 171(13) 165.1181 165.1181\r\n1398 4.9933 159(13) 165.0710 165.0710\r\n1399 4.9953 165(13) 165.0239 165.0239\r\n1400 4.9973 159(13) 164.9768 164.9768\r\n1401 4.9993 168(13) 164.9297 164.9297\r\n1402 5.0013 167(13) 164.8827 164.8827\r\n1403 5.0033 155(12) 164.8357 164.8357\r\n1404 5.0053 176(13) 164.7886 164.7886\r\n1405 5.0073 161(13) 164.7417 164.7417\r\n1406 5.0093 171(13) 164.6947 164.6947\r\n1407 5.0113 171(13) 164.6477 164.6477\r\n1408 5.0133 164(13) 164.6008 164.6008\r\n1409 5.0153 171(13) 164.5538 164.5538\r\n1410 5.0173 163(13) 164.5069 164.5069\r\n1411 5.0193 171(13) 164.4600 164.4600\r\n1412 5.0213 166(13) 164.4131 164.4131\r\n1413 5.0233 161(13) 164.3663 164.3663\r\n1414 5.0253 172(13) 164.3194 164.3194\r\n1415 5.0273 164(13) 164.2726 164.2726\r\n1416 5.0293 163(13) 164.2258 164.2258\r\n1417 5.0313 160(13) 164.1790 164.1790\r\n1418 5.0333 172(13) 164.1322 164.1322\r\n1419 5.0353 173(13) 164.0854 164.0854\r\n1420 5.0373 172(13) 164.0386 164.0386\r\n1421 5.0393 163(13) 163.9919 163.9919\r\n1422 5.0413 160(13) 163.9452 163.9452\r\n1423 5.0433 167(13) 163.8985 163.8985\r\n1424 5.0453 170(13) 163.8518 163.8518\r\n1425 5.0473 157(13) 163.8051 163.8051\r\n1426 5.0493 155(12) 163.7585 163.7585\r\n1427 5.0513 168(13) 163.7118 163.7118\r\n1428 5.0533 169(13) 163.6652 163.6652\r\n1429 5.0553 170(13) 163.6186 163.6186\r\n1430 5.0573 165(13) 163.5720 163.5720\r\n1431 5.0593 170(13) 163.5254 163.5254\r\n1432 5.0613 175(13) 163.4788 163.4788\r\n1433 5.0633 170(13) 163.4323 163.4323\r\n1434 5.0653 168(13) 163.3858 163.3858\r\n1435 5.0673 166(13) 163.3393 163.3393\r\n1436 5.0693 165(13) 163.2928 163.2928\r\n1437 5.0713 169(13) 165.9742 163.2463\r\n1438 5.0733 159(13) 166.0381 163.1998\r\n1439 5.0753 171(13) 166.1088 163.1534\r\n1440 5.0773 168(13) 166.1870 163.1069\r\n1441 5.0793 173(13) 166.2732 163.0605\r\n1442 5.0813 166(13) 166.3681 163.0141\r\n1443 5.0833 161(13) 166.4726 162.9677\r\n1444 5.0853 147(12) 166.5875 162.9214\r\n1445 5.0873 167(13) 166.7138 162.8750\r\n1446 5.0893 169(13) 166.8526 162.8287\r\n1447 5.0913 157(13) 167.0050 162.7824\r\n1448 5.0933 156(12) 167.1726 162.7361\r\n1449 5.0953 163(13) 167.3568 162.6898\r\n1450 5.0973 166(13) 167.5595 162.6435\r\n1451 5.0993 158(13) 167.7825 162.5972\r\n1452 5.1013 167(13) 168.0282 162.5510\r\n1453 5.1033 168(13) 168.2993 162.5048\r\n1454 5.1053 172(13) 168.5986 162.4586\r\n1455 5.1073 174(13) 168.9298 162.4124\r\n1456 5.1093 162(13) 169.2968 162.3662\r\n1457 5.1113 178(13) 169.7042 162.3200\r\n1458 5.1133 169(13) 170.1574 162.2739\r\n1459 5.1153 154(12) 170.6628 162.2278\r\n1460 5.1173 163(13) 171.2279 162.1817\r\n1461 5.1193 165(13) 171.8616 162.1356\r\n1462 5.1213 169(13) 172.5747 162.0895\r\n1463 5.1233 172(13) 173.3796 162.0434\r\n1464 5.1253 169(13) 174.2918 161.9973\r\n1465 5.1273 182(13) 175.3296 161.9513\r\n1466 5.1293 167(13) 176.5154 161.9053\r\n1467 5.1313 185(14) 177.8765 161.8593\r\n1468 5.1333 182(14) 179.4460 161.8133\r\n1469 5.1353 184(14) 181.2621 161.7673\r\n1470 5.1373 182(13) 183.3726 161.7214\r\n1471 5.1393 187(14) 185.8326 161.6754\r\n1472 5.1413 192(14) 188.7141 161.6295\r\n1473 5.1433 202(14) 192.1178 161.5836\r\n1474 5.1453 212(15) 196.2050 161.5377\r\n1475 5.1473 218(15) 201.2669 161.4918\r\n1476 5.1493 256(16) 207.8593 161.4460\r\n1477 5.1513 296(17) 217.1165 161.4001\r\n1478 5.1533 321(18) 231.4468 161.3543\r\n1479 5.1553 404(20) 256.2511 161.3085\r\n1480 5.1573 539(23) 303.7196 161.2627\r\n1481 5.1593 706(27) 398.8486 161.2169\r\n1482 5.1613 1007(32) 584.7070 161.1711\r\n1483 5.1633 1335(37) 911.8518 161.1254\r\n1484 5.1653 1624(40) 1396.7665 161.0797\r\n1485 5.1673 1907(44) 1961.0822 161.0340\r\n1486 5.1693 2206(47) 2410.0269 160.9882\r\n1487 5.1713 2026(45) 2511.3665 160.9426\r\n1488 5.1733 1729(42) 2176.5913 160.8969\r\n1489 5.1753 1510(39) 1600.7604 160.8512\r\n1490 5.1773 1214(35) 1077.2261 160.8056\r\n1491 5.1793 1026(32) 730.1384 160.7600\r\n1492 5.1813 824(29) 528.3149 160.7144\r\n1493 5.1833 642(25) 408.1681 160.6687\r\n1494 5.1853 488(22) 331.7188 160.6232\r\n1495 5.1873 439(21) 283.2797 160.5776\r\n1496 5.1893 356(19) 253.8307 160.5321\r\n1497 5.1913 289(17) 235.6344 160.4865\r\n1498 5.1933 258(16) 223.1684 160.4410\r\n1499 5.1953 241(16) 213.5868 160.3955\r\n1500 5.1973 225(15) 205.7799 160.3500\r\n1501 5.1993 215(15) 199.3492 160.3046\r\n1502 5.2013 205(14) 194.0813 160.2591\r\n1503 5.2033 186(14) 189.7770 160.2137\r\n1504 5.2053 177(13) 186.2496 160.1682\r\n1505 5.2073 185(14) 183.3323 160.1228\r\n1506 5.2093 178(13) 180.8916 160.0775\r\n1507 5.2113 183(14) 178.8253 160.0321\r\n1508 5.2133 181(13) 177.0572 159.9867\r\n1509 5.2153 182(13) 175.5314 159.9414\r\n1510 5.2173 188(14) 174.2050 159.8960\r\n1511 5.2193 187(14) 173.0461 159.8507\r\n1512 5.2213 184(14) 172.0293 159.8054\r\n1513 5.2233 174(13) 171.1347 159.7601\r\n1514 5.2253 172(13) 170.3467 159.7149\r\n1515 5.2273 187(14) 169.6531 159.6696\r\n1516 5.2293 192(14) 169.0442 159.6244\r\n1517 5.2313 192(14) 168.5138 159.5791\r\n1518 5.2333 179(13) 168.0592 159.5340\r\n1519 5.2353 179(13) 167.6836 159.4888\r\n1520 5.2373 170(13) 167.4015 159.4436\r\n1521 5.2393 177(13) 167.2497 159.3984\r\n1522 5.2413 177(13) 167.3159 159.3533\r\n1523 5.2433 181(13) 167.8023 159.3082\r\n1524 5.2453 174(13) 169.1491 159.2631\r\n1525 5.2473 189(14) 172.1833 159.2180\r\n1526 5.2493 183(14) 178.0834 159.1729\r\n1527 5.2513 201(14) 187.7618 159.1278\r\n1528 5.2533 234(15) 200.5536 159.0827\r\n1529 5.2553 248(16) 213.0848 159.0377\r\n1530 5.2573 249(16) 219.9182 158.9927\r\n1531 5.2593 244(16) 216.7217 158.9477\r\n1532 5.2613 241(16) 204.7523 158.9027\r\n1533 5.2633 208(14) 191.7254 158.8577\r\n1534 5.2653 200(14) 180.9816 158.8128\r\n1535 5.2673 185(14) 174.3092 158.7678\r\n1536 5.2693 176(13) 170.3480 158.7229\r\n1537 5.2713 165(13) 167.8514 158.6780\r\n1538 5.2733 166(13) 166.2169 158.6331\r\n1539 5.2753 164(13) 162.5000 158.5882\r\n1540 5.2773 168(13) 161.9389 158.5433\r\n1541 5.2793 168(13) 161.5882 158.4985\r\n1542 5.2813 164(13) 161.3444 158.4536\r\n1543 5.2833 163(13) 161.1606 158.4088\r\n1544 5.2853 158(13) 161.0196 158.3640\r\n1545 5.2873 160(13) 160.9152 158.3192\r\n1546 5.2893 168(13) 160.8431 158.2745\r\n1547 5.2913 168(13) 160.7994 158.2297\r\n1548 5.2933 164(13) 160.7804 158.1850\r\n1549 5.2953 167(13) 160.7836 158.1402\r\n1550 5.2973 175(13) 160.8070 158.0955\r\n1551 5.2993 172(13) 160.8496 158.0508\r\n1552 5.3013 164(13) 160.9111 158.0061\r\n1553 5.3033 166(13) 160.9920 157.9615\r\n1554 5.3053 165(13) 161.0930 157.9168\r\n1555 5.3073 153(12) 161.2156 157.8722\r\n1556 5.3093 168(13) 161.3618 157.8275\r\n1557 5.3113 169(13) 161.5340 157.7829\r\n1558 5.3133 159(13) 161.7352 157.7383\r\n1559 5.3153 176(13) 161.9695 157.6937\r\n1560 5.3173 163(13) 162.2415 157.6492\r\n1561 5.3193 176(13) 162.5573 157.6046\r\n1562 5.3213 154(12) 162.9236 157.5601\r\n1563 5.3233 165(13) 163.3492 157.5156\r\n1564 5.3253 156(12) 163.8445 157.4711\r\n1565 5.3273 150(12) 164.4221 157.4266\r\n1566 5.3293 167(13) 165.0971 157.3821\r\n1567 5.3313 175(13) 165.8874 157.3377\r\n1568 5.3333 163(13) 166.8151 157.2932\r\n1569 5.3353 164(13) 167.9101 157.2488\r\n1570 5.3373 152(12) 169.2160 157.2044\r\n1571 5.3393 166(13) 170.8075 157.1600\r\n1572 5.3413 167(13) 172.8207 157.1156\r\n1573 5.3433 164(13) 175.5201 157.0712\r\n1574 5.3453 171(13) 179.4473 157.0269\r\n1575 5.3473 181(13) 185.7666 156.9825\r\n1576 5.3493 192(14) 197.0664 156.9382\r\n1577 5.3513 210(14) 218.9532 156.8939\r\n1578 5.3533 232(15) 262.2071 156.8496\r\n1579 5.3553 312(18) 343.1971 156.8054\r\n1580 5.3573 415(20) 477.3737 156.7611\r\n1581 5.3593 632(25) 662.2799 156.7168\r\n1582 5.3613 922(30) 859.4283 156.6726\r\n1583 5.3633 1187(34) 995.1137 156.6284\r\n1584 5.3653 1268(36) 996.3090 156.5842\r\n1585 5.3673 996(32) 853.2428 156.5400\r\n1586 5.3693 659(26) 647.5216 156.4958\r\n1587 5.3713 429(21) 471.5281 156.4517\r\n1588 5.3733 298(17) 355.8891 156.4075\r\n1589 5.3753 255(16) 286.9830 156.3634\r\n1590 5.3773 208(14) 244.6963 156.3193\r\n1591 5.3793 183(14) 217.5181 156.2752\r\n1592 5.3813 177(13) 200.3443 156.2311\r\n1593 5.3833 183(14) 189.8878 156.1871\r\n1594 5.3853 177(13) 183.3761 156.1430\r\n1595 5.3873 180(13) 178.8810 156.0990\r\n1596 5.3893 163(13) 175.4149 156.0549\r\n1597 5.3913 158(13) 172.5827 156.0109\r\n1598 5.3933 169(13) 170.2389 155.9670\r\n1599 5.3953 160(13) 168.3050 155.9230\r\n1600 5.3973 162(13) 166.7119 155.8790\r\n1601 5.3993 163(13) 165.3948 155.8351\r\n1602 5.4013 163(13) 164.2955 155.7911\r\n1603 5.4033 164(13) 163.3674 155.7472\r\n1604 5.4053 157(13) 162.5741 155.7033\r\n1605 5.4073 154(12) 161.8881 155.6594\r\n1606 5.4093 160(13) 161.2890 155.6156\r\n1607 5.4113 149(12) 160.7611 155.5717\r\n1608 5.4133 159(13) 160.2926 155.5278\r\n1609 5.4153 151(12) 159.8742 155.4840\r\n1610 5.4173 147(12) 159.4980 155.4402\r\n1611 5.4193 143(12) 159.1581 155.3964\r\n1612 5.4213 155(12) 158.8494 155.3526\r\n1613 5.4233 154(12) 158.5675 155.3089\r\n1614 5.4253 164(13) 158.3091 155.2651\r\n1615 5.4273 154(12) 158.0712 155.2214\r\n1616 5.4293 156(13) 157.8512 155.1776\r\n1617 5.4313 149(12) 157.6471 155.1339\r\n1618 5.4333 153(12) 157.4570 155.0902\r\n1619 5.4353 158(13) 157.2792 155.0466\r\n1620 5.4373 156(12) 157.1125 155.0029\r\n1621 5.4393 154(12) 156.9557 154.9592\r\n1622 5.4413 163(13) 156.8078 154.9156\r\n1623 5.4433 159(13) 156.6678 154.8720\r\n1624 5.4453 158(13) 156.5350 154.8284\r\n1625 5.4473 151(12) 156.4087 154.7848\r\n1626 5.4493 156(12) 156.2883 154.7412\r\n1627 5.4513 151(12) 156.1732 154.6976\r\n1628 5.4533 153(12) 156.0629 154.6541\r\n1629 5.4553 161(13) 155.9571 154.6106\r\n1630 5.4573 167(13) 155.8553 154.5670\r\n1631 5.4593 156(12) 155.7573 154.5235\r\n1632 5.4613 140(12) 155.6626 154.4801\r\n1633 5.4633 144(12) 155.5711 154.4366\r\n1634 5.4653 164(13) 155.4824 154.3931\r\n1635 5.4673 159(13) 155.3964 154.3497\r\n1636 5.4693 150(12) 155.3129 154.3062\r\n1637 5.4713 157(13) 154.2628 154.2628\r\n1638 5.4733 155(12) 154.2194 154.2194\r\n1639 5.4753 156(12) 154.1760 154.1760\r\n1640 5.4773 160(13) 154.1327 154.1327\r\n1641 5.4793 154(12) 154.0893 154.0893\r\n1642 5.4813 153(12) 154.0460 154.0460\r\n1643 5.4833 162(13) 154.0026 154.0026\r\n1644 5.4853 145(12) 153.9593 153.9593\r\n1645 5.4873 153(12) 153.9160 153.9160\r\n1646 5.4893 159(13) 153.8727 153.8727\r\n1647 5.4913 143(12) 153.8295 153.8295\r\n1648 5.4933 146(12) 153.7862 153.7862\r\n1649 5.4953 150(12) 153.7430 153.7430\r\n1650 5.4973 154(12) 153.6998 153.6998\r\n1651 5.4993 153(12) 153.6566 153.6566\r\n1652 5.5013 151(12) 153.6134 153.6134\r\n1653 5.5033 148(12) 153.5702 153.5702\r\n1654 5.5053 161(13) 153.5270 153.5270\r\n1655 5.5073 152(12) 153.4838 153.4838\r\n1656 5.5093 165(13) 153.4407 153.4407\r\n1657 5.5113 153(12) 153.3976 153.3976\r\n1658 5.5133 164(13) 153.3545 153.3545\r\n1659 5.5153 162(13) 153.3114 153.3114\r\n1660 5.5173 168(13) 153.2683 153.2683\r\n1661 5.5193 154(12) 153.2252 153.2252\r\n1662 5.5213 164(13) 153.1822 153.1822\r\n1663 5.5233 155(12) 153.1391 153.1391\r\n1664 5.5253 158(13) 153.0961 153.0961\r\n1665 5.5273 152(12) 153.0531 153.0531\r\n1666 5.5293 148(12) 153.0101 153.0101\r\n1667 5.5313 149(12) 152.9671 152.9671\r\n1668 5.5333 157(13) 152.9242 152.9242\r\n1669 5.5353 154(12) 152.8812 152.8812\r\n1670 5.5373 167(13) 152.8383 152.8383\r\n1671 5.5393 149(12) 152.7954 152.7954\r\n1672 5.5413 163(13) 152.7525 152.7525\r\n1673 5.5433 156(12) 152.7096 152.7096\r\n1674 5.5453 158(13) 152.6667 152.6667\r\n1675 5.5473 162(13) 152.6238 152.6238\r\n1676 5.5493 151(12) 152.5810 152.5810\r\n1677 5.5513 159(13) 152.5381 152.5381\r\n1678 5.5533 162(13) 152.4953 152.4953\r\n1679 5.5553 150(12) 152.4525 152.4525\r\n1680 5.5573 158(13) 152.4097 152.4097\r\n1681 5.5593 163(13) 152.3669 152.3669\r\n1682 5.5613 156(12) 152.3242 152.3242\r\n1683 5.5633 148(12) 152.2814 152.2814\r\n1684 5.5653 162(13) 152.2387 152.2387\r\n1685 5.5673 156(12) 152.1960 152.1960\r\n1686 5.5693 157(13) 152.1533 152.1533\r\n1687 5.5713 154(12) 152.1106 152.1106\r\n1688 5.5733 154(12) 152.0679 152.0679\r\n1689 5.5753 146(12) 152.0253 152.0253\r\n1690 5.5773 156(13) 151.9826 151.9826\r\n1691 5.5793 158(13) 151.9400 151.9400\r\n1692 5.5813 147(12) 151.8973 151.8973\r\n1693 5.5833 147(12) 151.8547 151.8547\r\n1694 5.5853 155(12) 151.8121 151.8121\r\n1695 5.5873 145(12) 151.7696 151.7696\r\n1696 5.5893 164(13) 151.7270 151.7270\r\n1697 5.5913 155(12) 151.6845 151.6845\r\n1698 5.5933 165(13) 151.8537 151.6419\r\n1699 5.5953 161(13) 151.8193 151.5994\r\n1700 5.5973 164(13) 151.7854 151.5569\r\n1701 5.5993 166(13) 151.7521 151.5144\r\n1702 5.6013 153(12) 151.7193 151.4719\r\n1703 5.6033 164(13) 151.6872 151.4295\r\n1704 5.6053 151(12) 151.7526 151.3870\r\n1705 5.6073 169(13) 151.7256 151.3446\r\n1706 5.6093 162(13) 151.6996 151.3022\r\n1707 5.6113 177(13) 151.6747 151.2598\r\n1708 5.6133 159(13) 151.6510 151.2174\r\n1709 5.6153 159(13) 151.6286 151.1750\r\n1710 5.6173 153(12) 151.6076 151.1326\r\n1711 5.6193 154(12) 151.5882 151.0903\r\n1712 5.6213 158(13) 151.5706 151.0479\r\n1713 5.6233 155(12) 151.5548 151.0056\r\n1714 5.6253 158(13) 151.5411 150.9633\r\n1715 5.6273 160(13) 151.5297 150.9210\r\n1716 5.6293 155(12) 151.5209 150.8788\r\n1717 5.6313 160(13) 151.5150 150.8365\r\n1718 5.6333 155(12) 151.5123 150.7943\r\n1719 5.6353 148(12) 151.5131 150.7520\r\n1720 5.6373 146(12) 151.5179 150.7098\r\n1721 5.6393 165(13) 151.5273 150.6676\r\n1722 5.6413 161(13) 151.5418 150.6254\r\n1723 5.6433 153(12) 151.5621 150.5832\r\n1724 5.6453 156(12) 151.5891 150.5410\r\n1725 5.6473 146(12) 151.6236 150.4989\r\n1726 5.6493 148(12) 151.6670 150.4568\r\n1727 5.6513 147(12) 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149.4079\r\n1752 5.7013 289(17) 302.0010 149.3661\r\n1753 5.7033 266(16) 275.3578 149.3244\r\n1754 5.7053 244(16) 260.7096 149.2826\r\n1755 5.7073 249(16) 257.2010 149.2409\r\n1756 5.7093 259(16) 255.5762 149.1992\r\n1757 5.7113 246(16) 246.7422 149.1575\r\n1758 5.7133 219(15) 228.4270 149.1158\r\n1759 5.7153 202(14) 206.5437 149.0741\r\n1760 5.7173 181(13) 188.1390 149.0325\r\n1761 5.7193 172(13) 175.5309 148.9908\r\n1762 5.7213 151(12) 167.5307 148.9492\r\n1763 5.7233 167(13) 162.3442 148.9076\r\n1764 5.7253 159(13) 158.8441 148.8660\r\n1765 5.7273 155(12) 156.4828 148.8244\r\n1766 5.7293 152(12) 154.9133 148.7828\r\n1767 5.7313 148(12) 153.8484 148.7412\r\n1768 5.7333 156(13) 153.0734 148.6997\r\n1769 5.7353 150(12) 152.4624 148.6582\r\n1770 5.7373 147(12) 151.9547 148.6166\r\n1771 5.7393 145(12) 151.5235 148.5751\r\n1772 5.7413 143(12) 151.1543 148.5336\r\n1773 5.7433 154(12) 150.8365 148.4921\r\n1774 5.7453 153(12) 150.5612 148.4507\r\n1775 5.7473 145(12) 150.3204 148.4092\r\n1776 5.7493 148(12) 150.1077 148.3678\r\n1777 5.7513 151(12) 149.9178 148.3264\r\n1778 5.7533 146(12) 149.7468 148.2849\r\n1779 5.7553 152(12) 149.5912 148.2435\r\n1780 5.7573 147(12) 149.4488 148.2022\r\n1781 5.7593 143(12) 149.3175 148.1608\r\n1782 5.7613 144(12) 149.1957 148.1194\r\n1783 5.7633 144(12) 149.0821 148.0781\r\n1784 5.7653 149(12) 148.9756 148.0368\r\n1785 5.7673 142(12) 148.8752 147.9955\r\n1786 5.7693 148(12) 148.7803 147.9541\r\n1787 5.7713 149(12) 148.6902 147.9129\r\n1788 5.7733 153(12) 148.6044 147.8716\r\n1789 5.7753 164(13) 148.5223 147.8303\r\n1790 5.7773 149(12) 148.4435 147.7891\r\n1791 5.7793 147(12) 148.3678 147.7479\r\n1792 5.7813 136(12) 148.2947 147.7066\r\n1793 5.7833 149(12) 148.2240 147.6654\r\n1794 5.7853 151(12) 148.1556 147.6243\r\n1795 5.7873 154(12) 148.0891 147.5831\r\n1796 5.7893 152(12) 148.0243 147.5419\r\n1797 5.7913 141(12) 147.9612 147.5007\r\n1798 5.7933 153(12) 147.8996 147.4596\r\n1799 5.7953 161(13) 147.8394 147.4185\r\n1800 5.7973 140(12) 147.7804 147.3774\r\n1801 5.7993 140(12) 147.7225 147.3363\r\n1802 5.8013 139(12) 147.6656 147.2952\r\n1803 5.8033 146(12) 147.6098 147.2541\r\n1804 5.8053 139(12) 147.5548 147.2131\r\n1805 5.8073 147(12) 147.5006 147.1720\r\n1806 5.8093 136(12) 147.2484 147.1310\r\n1807 5.8113 146(12) 147.2027 147.0900\r\n1808 5.8133 138(12) 147.1573 147.0490\r\n1809 5.8153 143(12) 147.1122 147.0080\r\n1810 5.8173 146(12) 147.0673 146.9671\r\n1811 5.8193 145(12) 147.0226 146.9261\r\n1812 5.8213 150(12) 146.8851 146.8851\r\n1813 5.8233 137(12) 146.8442 146.8442\r\n1814 5.8253 146(12) 146.8033 146.8033\r\n1815 5.8273 141(12) 146.7624 146.7624\r\n1816 5.8293 152(12) 146.7215 146.7215\r\n1817 5.8313 159(13) 146.6806 146.6806\r\n1818 5.8333 161(13) 146.6398 146.6398\r\n1819 5.8353 146(12) 146.5989 146.5989\r\n1820 5.8373 140(12) 146.5581 146.5581\r\n1821 5.8393 145(12) 146.5173 146.5173\r\n1822 5.8413 152(12) 147.0508 146.4764\r\n1823 5.8433 143(12) 147.0315 146.4356\r\n1824 5.8453 147(12) 147.0135 146.3949\r\n1825 5.8473 145(12) 146.9968 146.3541\r\n1826 5.8493 147(12) 146.9815 146.3133\r\n1827 5.8513 158(13) 146.9678 146.2726\r\n1828 5.8533 134(12) 146.9558 146.2319\r\n1829 5.8553 139(12) 146.9456 146.1912\r\n1830 5.8573 148(12) 146.9374 146.1505\r\n1831 5.8593 149(12) 146.9314 146.1098\r\n1832 5.8613 152(12) 146.9276 146.0691\r\n1833 5.8633 149(12) 146.9265 146.0284\r\n1834 5.8653 147(12) 146.9281 145.9878\r\n1835 5.8673 141(12) 146.9328 145.9472\r\n1836 5.8693 153(12) 146.9409 145.9066\r\n1837 5.8713 151(12) 146.9527 145.8659\r\n1838 5.8733 145(12) 146.9686 145.8253\r\n1839 5.8753 139(12) 146.9890 145.7848\r\n1840 5.8773 149(12) 147.0143 145.7442\r\n1841 5.8793 152(12) 147.0453 145.7037\r\n1842 5.8813 150(12) 147.0825 145.6631\r\n1843 5.8833 151(12) 147.1266 145.6226\r\n1844 5.8853 148(12) 147.1785 145.5821\r\n1845 5.8873 154(12) 147.2391 145.5416\r\n1846 5.8893 153(12) 147.3097 145.5011\r\n1847 5.8913 155(12) 147.3914 145.4606\r\n1848 5.8933 150(12) 147.4860 145.4202\r\n1849 5.8953 143(12) 147.5951 145.3797\r\n1850 5.8973 151(12) 147.7210 145.3393\r\n1851 5.8993 152(12) 147.8663 145.2988\r\n1852 5.9013 147(12) 148.0339 145.2585\r\n1853 5.9033 138(12) 148.2276 145.2181\r\n1854 5.9053 149(12) 148.4517 145.1777\r\n1855 5.9073 140(12) 148.7114 145.1373\r\n1856 5.9093 143(12) 149.0130 145.0970\r\n1857 5.9113 151(12) 149.3636 145.0566\r\n1858 5.9133 152(12) 149.7721 145.0163\r\n1859 5.9153 149(12) 150.2491 144.9760\r\n1860 5.9173 148(12) 150.8086 144.9357\r\n1861 5.9193 160(13) 151.4706 144.8954\r\n1862 5.9213 150(12) 152.2671 144.8552\r\n1863 5.9233 159(13) 153.2523 144.8149\r\n1864 5.9253 169(13) 154.5246 144.7746\r\n1865 5.9273 167(13) 156.2735 144.7344\r\n1866 5.9293 180(13) 158.8791 144.6942\r\n1867 5.9313 181(13) 163.1428 144.6540\r\n1868 5.9333 201(14) 170.7514 144.6138\r\n1869 5.9353 238(15) 185.0437 144.5736\r\n1870 5.9373 270(16) 211.7639 144.5335\r\n1871 5.9393 318(18) 258.5648 144.4933\r\n1872 5.9413 409(20) 331.4014 144.4532\r\n1873 5.9433 490(22) 427.4819 144.4130\r\n1874 5.9453 574(24) 528.6765 144.3729\r\n1875 5.9473 590(24) 602.6764 144.3329\r\n1876 5.9493 560(24) 616.1407 144.2928\r\n1877 5.9513 554(24) 559.6047 144.2527\r\n1878 5.9533 480(22) 459.9454 144.2126\r\n1879 5.9553 402(20) 361.9420 144.1726\r\n1880 5.9573 372(19) 288.7612 144.1326\r\n1881 5.9593 309(18) 240.7438 144.0925\r\n1882 5.9613 283(17) 209.9789 144.0526\r\n1883 5.9633 225(15) 189.8441 144.0125\r\n1884 5.9653 211(15) 176.7196 143.9725\r\n1885 5.9673 184(14) 168.4762 143.9326\r\n1886 5.9693 182(13) 163.4135 143.8926\r\n1887 5.9713 175(13) 160.1802 143.8527\r\n1888 5.9733 168(13) 157.9043 143.8128\r\n1889 5.9753 160(13) 156.1417 143.7729\r\n1890 5.9773 164(13) 154.7066 143.7330\r\n1891 5.9793 150(12) 153.5231 143.6931\r\n1892 5.9813 160(13) 152.5510 143.6532\r\n1893 5.9833 158(13) 151.7571 143.6134\r\n1894 5.9853 148(12) 151.1112 143.5735\r\n1895 5.9873 154(12) 150.5866 143.5337\r\n1896 5.9893 147(12) 150.1611 143.4939\r\n1897 5.9913 141(12) 149.8176 143.4540\r\n1898 5.9933 153(12) 149.5431 143.4142\r\n1899 5.9953 144(12) 149.3279 143.3745\r\n1900 5.9973 152(12) 149.1650 143.3347\r\n1901 5.9993 162(13) 149.0496 143.2950\r\n1902 6.0013 138(12) 148.9783 143.2552\r\n1903 6.0033 145(12) 148.9492 143.2155\r\n1904 6.0053 146(12) 148.9615 143.1758\r\n1905 6.0073 153(12) 152.1532 143.1361\r\n1906 6.0093 146(12) 152.3638 143.0964\r\n1907 6.0113 157(13) 152.6255 143.0567\r\n1908 6.0133 148(12) 152.9420 143.0170\r\n1909 6.0153 146(12) 153.3184 142.9774\r\n1910 6.0173 147(12) 153.7606 142.9378\r\n1911 6.0193 151(12) 154.2767 142.8981\r\n1912 6.0213 142(12) 154.8762 142.8585\r\n1913 6.0233 147(12) 155.5704 142.8189\r\n1914 6.0253 142(12) 156.3734 142.7793\r\n1915 6.0273 148(12) 157.3020 142.7398\r\n1916 6.0293 160(13) 158.3781 142.7002\r\n1917 6.0313 154(12) 159.6313 142.6607\r\n1918 6.0333 139(12) 161.1059 142.6211\r\n1919 6.0353 160(13) 162.8761 142.5816\r\n1920 6.0373 167(13) 165.0707 142.5421\r\n1921 6.0393 165(13) 167.9283 142.5026\r\n1922 6.0413 186(14) 171.9155 142.4632\r\n1923 6.0433 183(14) 177.9849 142.4237\r\n1924 6.0453 193(14) 188.1399 142.3842\r\n1925 6.0473 224(15) 206.4417 142.3448\r\n1926 6.0493 261(16) 240.3669 142.3054\r\n1927 6.0513 319(18) 301.3062 142.2660\r\n1928 6.0533 403(20) 401.6077 142.2265\r\n1929 6.0553 598(24) 545.8233 142.1872\r\n1930 6.0573 727(27) 718.3997 142.1478\r\n1931 6.0593 814(29) 877.6451 142.1084\r\n1932 6.0613 828(29) 966.0068 142.0691\r\n1933 6.0633 809(28) 938.7661 142.0297\r\n1934 6.0653 701(26) 806.0359 141.9904\r\n1935 6.0673 587(24) 632.4656 141.9511\r\n1936 6.0693 474(22) 481.2511 141.9118\r\n1937 6.0713 387(20) 374.3652 141.8725\r\n1938 6.0733 321(18) 305.2232 141.8333\r\n1939 6.0753 276(17) 260.8636 141.7940\r\n1940 6.0773 239(15) 232.3194 141.7548\r\n1941 6.0793 216(15) 214.7085 141.7155\r\n1942 6.0813 208(14) 204.7874 141.6763\r\n1943 6.0833 187(14) 199.8875 141.6371\r\n1944 6.0853 185(14) 198.0197 141.5979\r\n1945 6.0873 186(14) 198.0342 141.5587\r\n1946 6.0893 185(14) 199.4766 141.5196\r\n1947 6.0913 184(14) 202.8060 141.4804\r\n1948 6.0933 184(14) 207.4528 141.4413\r\n1949 6.0953 186(14) 214.6154 141.4021\r\n1950 6.0973 212(15) 225.8524 141.3630\r\n1951 6.0993 223(15) 244.4147 141.3239\r\n1952 6.1013 253(16) 277.1564 141.2848\r\n1953 6.1033 296(17) 337.8810 141.2458\r\n1954 6.1053 362(19) 451.4770 141.2067\r\n1955 6.1073 494(22) 654.8156 141.1676\r\n1956 6.1093 720(27) 985.6794 141.1286\r\n1957 6.1113 1149(34) 1454.1710 141.0896\r\n1958 6.1133 1864(43) 2004.5343 141.0506\r\n1959 6.1153 2745(52) 2500.3540 141.0116\r\n1960 6.1173 3351(58) 2760.0117 140.9726\r\n1961 6.1193 3203(57) 2651.4878 140.9336\r\n1962 6.1213 2337(48) 2214.3809 140.8947\r\n1963 6.1233 1571(40) 1658.2791 140.8557\r\n1964 6.1253 1004(32) 1176.9550 140.8168\r\n1965 6.1273 659(26) 835.0669 140.7778\r\n1966 6.1293 464(22) 610.7667 140.7389\r\n1967 6.1313 359(19) 463.8954 140.7001\r\n1968 6.1333 292(17) 366.5783 140.6611\r\n1969 6.1353 260(16) 303.4092 140.6223\r\n1970 6.1373 233(15) 263.8809 140.5834\r\n1971 6.1393 217(15) 239.3161 140.5446\r\n1972 6.1413 201(14) 223.1414 140.5058\r\n1973 6.1433 194(14) 211.3691 140.4669\r\n1974 6.1453 181(13) 202.0476 140.4281\r\n1975 6.1473 166(13) 194.3595 140.3893\r\n1976 6.1493 155(12) 187.9593 140.3505\r\n1977 6.1513 171(13) 182.6423 140.3118\r\n1978 6.1533 159(13) 178.2351 140.2730\r\n1979 6.1553 156(12) 174.5808 140.2343\r\n1980 6.1573 154(12) 171.5420 140.1955\r\n1981 6.1593 165(13) 169.0052 140.1568\r\n1982 6.1613 162(13) 166.8829 140.1181\r\n1983 6.1633 160(13) 165.1067 140.0794\r\n1984 6.1653 167(13) 163.6276 140.0408\r\n1985 6.1673 147(12) 162.4090 140.0021\r\n1986 6.1693 151(12) 161.4261 139.9634\r\n1987 6.1713 164(13) 160.6638 139.9248\r\n1988 6.1733 150(12) 160.1178 139.8862\r\n1989 6.1753 162(13) 159.7987 139.8476\r\n1990 6.1773 157(13) 158.7945 139.8090\r\n1991 6.1793 167(13) 159.1021 139.7704\r\n1992 6.1813 160(13) 159.8971 139.7318\r\n1993 6.1833 165(13) 161.5012 139.6932\r\n1994 6.1853 159(13) 164.5908 139.6547\r\n1995 6.1873 168(13) 170.5560 139.6161\r\n1996 6.1893 191(14) 182.0605 139.5776\r\n1997 6.1913 226(15) 203.4891 139.5391\r\n1998 6.1933 274(17) 240.4702 139.5006\r\n1999 6.1953 332(18) 297.2138 139.4621\r\n2000 6.1973 410(20) 371.5931 139.4236\r\n2001 6.1993 511(23) 450.6836 139.3852\r\n2002 6.2013 530(23) 511.3844 139.3467\r\n2003 6.2033 527(23) 528.7288 139.3083\r\n2004 6.2053 483(22) 491.9908 139.2699\r\n2005 6.2073 422(21) 418.0302 139.2314\r\n2006 6.2093 357(19) 339.0471 139.1931\r\n2007 6.2113 289(17) 276.0585 139.1547\r\n2008 6.2133 238(15) 232.6257 139.1163\r\n2009 6.2153 208(14) 204.0275 139.0779\r\n2010 6.2173 203(14) 185.0196 139.0396\r\n2011 6.2193 180(13) 172.3596 139.0012\r\n2012 6.2213 155(12) 164.1566 138.9629\r\n2013 6.2233 151(12) 158.9868 138.9246\r\n2014 6.2253 150(12) 155.6729 138.8863\r\n2015 6.2273 152(12) 153.3773 138.8480\r\n2016 6.2293 151(12) 151.6235 138.8097\r\n2017 6.2313 147(12) 150.1860 138.7715\r\n2018 6.2333 155(12) 145.8952 138.7332\r\n2019 6.2353 155(12) 144.9659 138.6950\r\n2020 6.2373 150(12) 144.1832 138.6568\r\n2021 6.2393 144(12) 143.5229 138.6186\r\n2022 6.2413 145(12) 142.9625 138.5804\r\n2023 6.2433 144(12) 142.4834 138.5422\r\n2024 6.2453 149(12) 142.0694 138.5040\r\n2025 6.2473 139(12) 141.7080 138.4659\r\n2026 6.2493 146(12) 141.3895 138.4277\r\n2027 6.2513 151(12) 141.1062 138.3896\r\n2028 6.2533 154(12) 140.8522 138.3515\r\n2029 6.2553 145(12) 140.6231 138.3133\r\n2030 6.2573 156(13) 140.4150 138.2753\r\n2031 6.2593 149(12) 140.2249 138.2372\r\n2032 6.2613 142(12) 140.0505 138.1991\r\n2033 6.2633 141(12) 139.8895 138.1610\r\n2034 6.2653 148(12) 139.7404 138.1230\r\n2035 6.2673 136(12) 139.6015 138.0849\r\n2036 6.2693 140(12) 139.4719 138.0469\r\n2037 6.2713 141(12) 139.3502 138.0089\r\n2038 6.2733 142(12) 139.2357 137.9709\r\n2039 6.2753 140(12) 139.1276 137.9330\r\n2040 6.2773 141(12) 139.0251 137.8950\r\n2041 6.2793 136(12) 138.9277 137.8570\r\n2042 6.2813 139(12) 138.8349 137.8191\r\n2043 6.2833 143(12) 138.7462 137.7811\r\n2044 6.2853 140(12) 138.6612 137.7432\r\n2045 6.2873 132(12) 138.5796 137.7053\r\n2046 6.2893 144(12) 138.5010 137.6674\r\n2047 6.2913 144(12) 138.4252 137.6295\r\n2048 6.2933 144(12) 138.3519 137.5916\r\n2049 6.2953 140(12) 138.2810 137.5538\r\n2050 6.2973 143(12) 138.2122 137.5159\r\n2051 6.2993 141(12) 138.1453 137.4781\r\n2052 6.3013 126(11) 138.0803 137.4403\r\n2053 6.3033 138(12) 138.0168 137.4025\r\n2054 6.3053 137(12) 137.9549 137.3647\r\n2055 6.3073 138(12) 137.8944 137.3269\r\n2056 6.3093 151(12) 137.8351 137.2891\r\n2057 6.3113 145(12) 137.7771 137.2514\r\n2058 6.3133 137(12) 137.7203 137.2136\r\n2059 6.3153 142(12) 137.6644 137.1759\r\n2060 6.3173 130(11) 137.6095 137.1382\r\n2061 6.3193 134(12) 137.5555 137.1004\r\n2062 6.3213 136(12) 137.0628 137.0628\r\n2063 6.3233 140(12) 137.0251 137.0251\r\n2064 6.3253 137(12) 136.9874 136.9874\r\n2065 6.3273 143(12) 136.9497 136.9497\r\n2066 6.3293 142(12) 136.9121 136.9121\r\n2067 6.3313 143(12) 136.8745 136.8745\r\n2068 6.3333 136(12) 136.8368 136.8368\r\n2069 6.3353 145(12) 136.7992 136.7992\r\n2070 6.3373 138(12) 136.7616 136.7616\r\n2071 6.3393 137(12) 136.7240 136.7240\r\n2072 6.3413 144(12) 136.6865 136.6865\r\n2073 6.3433 136(12) 136.6489 136.6489\r\n2074 6.3453 135(12) 136.6114 136.6114\r\n2075 6.3473 138(12) 136.5738 136.5738\r\n2076 6.3493 136(12) 136.5363 136.5363\r\n2077 6.3513 138(12) 136.4988 136.4988\r\n2078 6.3533 137(12) 136.4613 136.4613\r\n2079 6.3553 130(11) 136.4238 136.4238\r\n2080 6.3573 139(12) 136.3863 136.3863\r\n2081 6.3593 133(12) 136.3488 136.3488\r\n2082 6.3613 135(12) 136.3114 136.3114\r\n2083 6.3633 135(12) 136.2740 136.2740\r\n2084 6.3653 137(12) 136.2365 136.2365\r\n2085 6.3673 140(12) 136.1991 136.1991\r\n2086 6.3693 134(12) 136.1617 136.1617\r\n2087 6.3713 128(11) 136.1243 136.1243\r\n2088 6.3733 140(12) 136.0870 136.0870\r\n2089 6.3753 133(12) 136.0496 136.0496\r\n2090 6.3773 130(11) 136.0123 136.0123\r\n2091 6.3793 143(12) 135.9749 135.9749\r\n2092 6.3813 140(12) 135.9376 135.9376\r\n2093 6.3833 142(12) 135.9003 135.9003\r\n2094 6.3853 150(12) 135.8630 135.8630\r\n2095 6.3873 148(12) 135.8257 135.8257\r\n2096 6.3893 136(12) 135.7884 135.7884\r\n2097 6.3913 139(12) 135.7511 135.7511\r\n2098 6.3933 134(12) 135.7139 135.7139\r\n2099 6.3953 142(12) 135.6766 135.6766\r\n2100 6.3973 141(12) 135.6394 135.6394\r\n2101 6.3993 141(12) 135.6022 135.6022\r\n2102 6.4013 147(12) 135.5650 135.5650\r\n2103 6.4033 158(13) 135.5278 135.5278\r\n2104 6.4053 136(12) 135.4906 135.4906\r\n2105 6.4073 141(12) 135.4535 135.4535\r\n2106 6.4093 131(11) 135.4163 135.4163\r\n2107 6.4113 131(11) 135.3792 135.3792\r\n2108 6.4133 140(12) 135.3420 135.3420\r\n2109 6.4153 134(12) 135.3049 135.3049\r\n2110 6.4173 146(12) 135.2678 135.2678\r\n2111 6.4193 133(12) 135.2307 135.2307\r\n2112 6.4213 144(12) 135.1936 135.1936\r\n2113 6.4233 132(11) 135.1566 135.1566\r\n2114 6.4253 138(12) 135.1195 135.1195\r\n2115 6.4273 143(12) 135.0824 135.0824\r\n2116 6.4293 140(12) 135.0454 135.0454\r\n2117 6.4313 131(11) 135.0084 135.0084\r\n2118 6.4333 135(12) 134.9714 134.9714\r\n2119 6.4353 128(11) 134.9344 134.9344\r\n2120 6.4373 142(12) 134.8974 134.8974\r\n2121 6.4393 136(12) 134.8604 134.8604\r\n2122 6.4413 136(12) 134.8235 134.8235\r\n2123 6.4433 135(12) 134.7865 134.7865\r\n2124 6.4453 130(11) 134.7496 134.7496\r\n2125 6.4473 133(12) 134.7127 134.7127\r\n2126 6.4493 137(12) 134.6758 134.6758\r\n2127 6.4513 135(12) 134.6389 134.6389\r\n2128 6.4533 146(12) 134.6020 134.6020\r\n2129 6.4553 146(12) 134.5651 134.5651\r\n2130 6.4573 132(11) 134.5282 134.5282\r\n2131 6.4593 140(12) 134.4914 134.4914\r\n2132 6.4613 142(12) 134.4545 134.4545\r\n2133 6.4633 138(12) 134.4177 134.4177\r\n2134 6.4653 143(12) 134.3809 134.3809\r\n2135 6.4673 144(12) 134.3441 134.3441\r\n2136 6.4693 143(12) 134.3073 134.3073\r\n2137 6.4713 146(12) 134.2705 134.2705\r\n2138 6.4733 134(12) 134.2338 134.2338\r\n2139 6.4753 135(12) 134.1970 134.1970\r\n2140 6.4773 140(12) 134.1603 134.1603\r\n2141 6.4793 139(12) 134.1235 134.1235\r\n2142 6.4813 147(12) 134.0868 134.0868\r\n2143 6.4833 141(12) 134.0501 134.0501\r\n2144 6.4853 146(12) 134.0134 134.0134\r\n2145 6.4873 130(11) 133.9767 133.9767\r\n2146 6.4893 136(12) 133.9401 133.9401\r\n2147 6.4913 144(12) 136.8154 133.9034\r\n2148 6.4933 137(12) 136.8788 133.8668\r\n2149 6.4953 142(12) 136.9474 133.8301\r\n2150 6.4973 154(12) 137.0216 133.7935\r\n2151 6.4993 145(12) 137.1018 133.7569\r\n2152 6.5013 146(12) 137.1885 133.7203\r\n2153 6.5033 151(12) 137.2822 133.6837\r\n2154 6.5053 153(12) 137.3833 133.6471\r\n2155 6.5073 150(12) 137.4925 133.6106\r\n2156 6.5093 129(11) 137.6104 133.5740\r\n2157 6.5113 148(12) 137.7376 133.5375\r\n2158 6.5133 159(13) 137.8751 133.5010\r\n2159 6.5153 153(12) 138.0235 133.4645\r\n2160 6.5173 143(12) 138.1840 133.4280\r\n2161 6.5193 155(12) 138.3575 133.3915\r\n2162 6.5213 142(12) 138.5451 133.3550\r\n2163 6.5233 158(13) 138.7483 133.3185\r\n2164 6.5253 140(12) 138.9683 133.2821\r\n2165 6.5273 149(12) 139.2070 133.2457\r\n2166 6.5293 146(12) 139.4662 133.2092\r\n2167 6.5313 157(13) 139.7478 133.1728\r\n2168 6.5333 150(12) 140.0541 133.1364\r\n2169 6.5353 145(12) 140.3879 133.1000\r\n2170 6.5373 140(12) 140.7521 133.0636\r\n2171 6.5393 140(12) 141.1502 133.0273\r\n2172 6.5413 140(12) 141.5860 132.9909\r\n2173 6.5433 137(12) 142.0642 132.9545\r\n2174 6.5453 158(13) 142.5896 132.9182\r\n2175 6.5473 158(13) 143.1684 132.8819\r\n2176 6.5493 143(12) 143.8075 132.8456\r\n2177 6.5513 155(12) 144.5149 132.8093\r\n2178 6.5533 148(12) 145.3002 132.7730\r\n2179 6.5553 152(12) 146.1748 132.7367\r\n2180 6.5573 152(12) 147.2301 132.7005\r\n2181 6.5593 153(12) 148.3265 132.6642\r\n2182 6.5613 142(12) 149.5586 132.6280\r\n2183 6.5633 160(13) 150.9479 132.5918\r\n2184 6.5653 157(13) 152.5196 132.5556\r\n2185 6.5673 167(13) 154.3031 132.5194\r\n2186 6.5693 154(12) 156.3344 132.4831\r\n2187 6.5713 158(13) 158.6538 132.4470\r\n2188 6.5733 160(13) 161.3155 132.4108\r\n2189 6.5753 141(12) 164.3912 132.3747\r\n2190 6.5773 165(13) 167.9857 132.3385\r\n2191 6.5793 168(13) 172.2632 132.3024\r\n2192 6.5813 177(13) 177.5000 132.2663\r\n2193 6.5833 181(13) 184.1710 132.2302\r\n2194 6.5853 196(14) 193.1629 132.1941\r\n2195 6.5873 212(15) 206.1885 132.1580\r\n2196 6.5893 234(15) 226.6645 132.1219\r\n2197 6.5913 281(17) 261.3637 132.0859\r\n2198 6.5933 350(19) 322.9538 132.0498\r\n2199 6.5953 454(21) 432.5469 132.0138\r\n2200 6.5973 639(25) 618.6951 131.9778\r\n2201 6.5993 879(30) 908.4639 131.9418\r\n2202 6.6013 1288(36) 1306.8947 131.9057\r\n2203 6.6033 1757(42) 1772.7375 131.8698\r\n2204 6.6053 2138(46) 2208.3743 131.8338\r\n2205 6.6073 2322(48) 2480.4536 131.7978\r\n2206 6.6093 2238(47) 2476.0300 131.7619\r\n2207 6.6113 2017(45) 2185.2617 131.7259\r\n2208 6.6133 1657(41) 1734.7588 131.6900\r\n2209 6.6153 1269(36) 1288.2108 131.6541\r\n2210 6.6173 963(31) 935.1208 131.6182\r\n2211 6.6193 709(27) 685.5657 131.5823\r\n2212 6.6213 539(23) 515.4333 131.5464\r\n2213 6.6233 417(20) 399.7174 131.5105\r\n2214 6.6253 331(18) 321.7172 131.4747\r\n2215 6.6273 275(17) 270.7625 131.4388\r\n2216 6.6293 233(15) 238.4976 131.4030\r\n2217 6.6313 202(14) 217.9851 131.3672\r\n2218 6.6333 200(14) 204.1628 131.3314\r\n2219 6.6353 180(13) 193.9634 131.2956\r\n2220 6.6373 171(13) 185.8473 131.2598\r\n2221 6.6393 169(13) 179.1203 131.2240\r\n2222 6.6413 161(13) 173.4738 131.1883\r\n2223 6.6433 159(13) 168.7318 131.1525\r\n2224 6.6453 148(12) 164.7569 131.1168\r\n2225 6.6473 161(13) 161.4260 131.0810\r\n2226 6.6493 146(12) 158.6378 131.0453\r\n2227 6.6513 144(12) 156.3079 131.0096\r\n2228 6.6533 138(12) 154.3813 130.9739\r\n2229 6.6553 157(13) 152.8404 130.9382\r\n2230 6.6573 150(12) 151.7239 130.9026\r\n2231 6.6593 139(12) 151.1669 130.8669\r\n2232 6.6613 148(12) 151.4641 130.8313\r\n2233 6.6633 146(12) 153.1354 130.7956\r\n2234 6.6653 147(12) 156.9177 130.7600\r\n2235 6.6673 153(12) 163.5498 130.7244\r\n2236 6.6693 152(12) 173.2632 130.6888\r\n2237 6.6713 164(13) 185.1299 130.6532\r\n2238 6.6733 192(14) 196.7159 130.6177\r\n2239 6.6753 202(14) 204.4990 130.5821\r\n2240 6.6773 209(14) 205.1963 130.5465\r\n2241 6.6793 195(14) 197.9280 130.5110\r\n2242 6.6813 193(14) 185.5422 130.4755\r\n2243 6.6833 171(13) 172.5422 130.4400\r\n2244 6.6853 152(12) 161.8145 130.4045\r\n2245 6.6873 146(12) 153.9736 130.3690\r\n2246 6.6893 138(12) 148.5066 130.3335\r\n2247 6.6913 135(12) 144.6615 130.2980\r\n2248 6.6933 147(12) 141.9597 130.2626\r\n2249 6.6953 137(12) 140.0833 130.2271\r\n2250 6.6973 125(11) 138.7918 130.1917\r\n2251 6.6993 137(12) 137.8836 130.1563\r\n2252 6.7013 130(11) 137.2049 130.1208\r\n2253 6.7033 145(12) 136.6579 130.0854\r\n2254 6.7053 132(12) 136.1895 130.0500\r\n2255 6.7073 135(12) 135.7748 130.0147\r\n2256 6.7093 130(11) 135.4023 129.9793\r\n2257 6.7113 131(11) 135.0658 129.9440\r\n2258 6.7133 137(12) 134.7602 129.9086\r\n2259 6.7153 141(12) 134.4816 129.8733\r\n2260 6.7173 134(12) 134.2262 129.8380\r\n2261 6.7193 135(12) 133.9906 129.8027\r\n2262 6.7213 141(12) 133.7720 129.7674\r\n2263 6.7233 129(11) 133.5682 129.7321\r\n2264 6.7253 133(12) 133.3773 129.6968\r\n2265 6.7273 135(12) 133.1976 129.6616\r\n2266 6.7293 131(11) 133.0282 129.6263\r\n2267 6.7313 134(12) 130.0526 129.5911\r\n2268 6.7333 124(11) 129.9909 129.5559\r\n2269 6.7353 139(12) 129.9323 129.5207\r\n2270 6.7373 131(11) 129.8765 129.4855\r\n2271 6.7393 133(12) 129.8232 129.4503\r\n2272 6.7413 136(12) 129.7721 129.4151\r\n2273 6.7433 133(12) 129.7231 129.3799\r\n2274 6.7453 133(12) 129.6760 129.3448\r\n2275 6.7473 126(11) 129.6306 129.3096\r\n2276 6.7493 134(12) 129.5869 129.2745\r\n2277 6.7513 127(11) 129.5448 129.2394\r\n2278 6.7533 120(11) 129.5042 129.2043\r\n2279 6.7553 126(11) 129.4651 129.1692\r\n2280 6.7573 125(11) 129.4276 129.1341\r\n2281 6.7593 122(11) 129.3916 129.0990\r\n2282 6.7613 130(11) 129.3572 129.0640\r\n2283 6.7633 123(11) 129.3245 129.0289\r\n2284 6.7653 132(11) 129.2936 128.9939\r\n2285 6.7673 127(11) 129.2647 128.9588\r\n2286 6.7693 121(11) 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128.0869\r\n2311 6.8193 134(12) 133.3555 128.0522\r\n2312 6.8213 137(12) 131.7220 128.0175\r\n2313 6.8233 137(12) 130.5835 127.9828\r\n2314 6.8253 125(11) 129.7901 127.9481\r\n2315 6.8273 131(11) 129.2434 127.9134\r\n2316 6.8293 125(11) 128.8750 127.8788\r\n2317 6.8313 130(11) 128.6283 127.8441\r\n2318 6.8333 134(12) 128.4576 127.8094\r\n2319 6.8353 126(11) 128.3300 127.7748\r\n2320 6.8373 126(11) 128.2262 127.7402\r\n2321 6.8393 124(11) 128.1364 127.7056\r\n2322 6.8413 126(11) 128.0562 127.6710\r\n2323 6.8433 128(11) 127.9836 127.6364\r\n2324 6.8453 124(11) 127.9173 127.6018\r\n2325 6.8473 126(11) 127.8565 127.5672\r\n2326 6.8493 123(11) 127.8002 127.5327\r\n2327 6.8513 122(11) 127.7479 127.4981\r\n2328 6.8533 127(11) 127.6988 127.4636\r\n2329 6.8553 121(11) 127.6525 127.4291\r\n2330 6.8573 125(11) 127.6086 127.3946\r\n2331 6.8593 123(11) 127.5668 127.3601\r\n2332 6.8613 125(11) 127.5269 127.3256\r\n2333 6.8633 130(11) 127.4890 127.2911\r\n2334 6.8653 127(11) 127.4531 127.2567\r\n2335 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7.1593 118(11) 129.6544 122.3133\r\n2482 7.1613 121(11) 130.0905 122.2805\r\n2483 7.1633 112(11) 130.6556 122.2477\r\n2484 7.1653 120(11) 131.4301 122.2149\r\n2485 7.1673 130(11) 132.5322 122.1821\r\n2486 7.1693 129(11) 133.6288 122.1494\r\n2487 7.1713 125(11) 135.8006 122.1166\r\n2488 7.1733 126(11) 138.5558 122.0839\r\n2489 7.1753 132(11) 141.6794 122.0511\r\n2490 7.1773 147(12) 144.7208 122.0184\r\n2491 7.1793 133(12) 147.0738 121.9857\r\n2492 7.1813 131(11) 148.1911 121.9530\r\n2493 7.1833 130(11) 147.9125 121.9204\r\n2494 7.1853 127(11) 146.6896 121.8877\r\n2495 7.1873 126(11) 145.3095 121.8550\r\n2496 7.1893 138(12) 144.3723 121.8224\r\n2497 7.1913 133(12) 144.1035 121.7897\r\n2498 7.1933 137(12) 144.4920 121.7571\r\n2499 7.1953 133(12) 145.4587 121.7245\r\n2500 7.1973 129(11) 146.9472 121.6919\r\n2501 7.1993 127(11) 148.9466 121.6593\r\n2502 7.2013 141(12) 151.4925 121.6267\r\n2503 7.2033 148(12) 154.6726 121.5941\r\n2504 7.2053 144(12) 158.6694 121.5616\r\n2505 7.2073 149(12) 163.8284 121.5290\r\n2506 7.2093 164(13) 170.8001 121.4965\r\n2507 7.2113 172(13) 180.8209 121.4639\r\n2508 7.2133 190(14) 196.2608 121.4314\r\n2509 7.2153 225(15) 221.5218 121.3989\r\n2510 7.2173 273(17) 264.3887 121.3664\r\n2511 7.2193 332(18) 337.1827 121.3339\r\n2512 7.2213 425(21) 456.3947 121.3015\r\n2513 7.2233 611(25) 638.5742 121.2690\r\n2514 7.2253 847(29) 891.1105 121.2365\r\n2515 7.2273 1171(34) 1200.2268 121.2041\r\n2516 7.2293 1521(39) 1522.0452 121.1717\r\n2517 7.2313 1864(43) 1786.8246 121.1392\r\n2518 7.2333 2076(46) 1916.9102 121.1068\r\n2519 7.2353 1944(44) 1861.2983 121.0744\r\n2520 7.2373 1718(41) 1636.0881 121.0421\r\n2521 7.2393 1394(37) 1324.8027 121.0097\r\n2522 7.2413 1100(33) 1019.2448 120.9773\r\n2523 7.2433 843(29) 768.9092 120.9449\r\n2524 7.2453 605(25) 582.3284 120.9126\r\n2525 7.2473 459(21) 448.6458 120.8803\r\n2526 7.2493 354(19) 354.1064 120.8479\r\n2527 7.2513 298(17) 288.2060 120.8156\r\n2528 7.2533 248(16) 243.5092 120.7833\r\n2529 7.2553 198(14) 214.1664 120.7510\r\n2530 7.2573 173(13) 195.1495 120.7188\r\n2531 7.2593 163(13) 182.5101 120.6865\r\n2532 7.2613 157(13) 173.5451 120.6542\r\n2533 7.2633 151(12) 166.6672 120.6220\r\n2534 7.2653 138(12) 161.0591 120.5897\r\n2535 7.2673 128(11) 156.3407 120.5575\r\n2536 7.2693 142(12) 152.3206 120.5253\r\n2537 7.2713 145(12) 148.8852 120.4931\r\n2538 7.2733 131(11) 145.9464 120.4609\r\n2539 7.2753 124(11) 143.4266 120.4287\r\n2540 7.2773 127(11) 141.2569 120.3966\r\n2541 7.2793 132(11) 139.3770 120.3644\r\n2542 7.2813 126(11) 137.7385 120.3323\r\n2543 7.2833 121(11) 136.2997 120.3001\r\n2544 7.2853 130(11) 135.0277 120.2680\r\n2545 7.2873 115(11) 133.8961 120.2359\r\n2546 7.2893 135(12) 132.8838 120.2038\r\n2547 7.2913 131(11) 131.9736 120.1717\r\n2548 7.2933 119(11) 131.1512 120.1396\r\n2549 7.2953 116(11) 130.4057 120.1075\r\n2550 7.2973 125(11) 129.7272 120.0755\r\n2551 7.2993 114(11) 129.1075 120.0434\r\n2552 7.3013 119(11) 128.5396 120.0114\r\n2553 7.3033 126(11) 128.0177 119.9793\r\n2554 7.3053 130(11) 127.5365 119.9473\r\n2555 7.3073 118(11) 127.0920 119.9153\r\n2556 7.3093 132(11) 126.6801 119.8833\r\n2557 7.3113 117(11) 126.2975 119.8513\r\n2558 7.3133 123(11) 125.9246 119.8194\r\n2559 7.3153 121(11) 125.5927 119.7874\r\n2560 7.3173 117(11) 125.2823 119.7554\r\n2561 7.3193 120(11) 124.9912 119.7235\r\n2562 7.3213 119(11) 124.7181 119.6916\r\n2563 7.3233 128(11) 124.4611 119.6596\r\n2564 7.3253 129(11) 124.2189 119.6277\r\n2565 7.3273 118(11) 123.9901 119.5958\r\n2566 7.3293 125(11) 123.7738 119.5639\r\n2567 7.3313 117(11) 123.5687 119.5321\r\n2568 7.3333 117(11) 123.3741 119.5002\r\n2569 7.3353 120(11) 123.1892 119.4683\r\n2570 7.3373 120(11) 123.0132 119.4365\r\n2571 7.3393 122(11) 122.8454 119.4047\r\n2572 7.3413 119(11) 122.6852 119.3728\r\n2573 7.3433 122(11) 122.5320 119.3410\r\n2574 7.3453 120(11) 122.3854 119.3092\r\n2575 7.3473 113(11) 122.2448 119.2774\r\n2576 7.3493 118(11) 122.1100 119.2457\r\n2577 7.3513 118(11) 121.9804 119.2139\r\n2578 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67.3156\r\n7772 17.7413 69(8) 72.0367 67.3100\r\n7773 17.7433 66(8) 71.9687 67.3043\r\n7774 17.7453 68(8) 71.9073 67.2986\r\n7775 17.7473 70(8) 71.8590 67.2928\r\n7776 17.7493 78(9) 71.8303 67.2871\r\n7777 17.7513 80(9) 71.8268 67.2813\r\n7778 17.7533 74(9) 71.8531 67.2755\r\n7779 17.7553 73(9) 71.9124 67.2697\r\n7780 17.7573 70(8) 72.0066 67.2639\r\n7781 17.7593 75(9) 72.1358 67.2581\r\n7782 17.7613 80(9) 72.2987 67.2523\r\n7783 17.7633 64(8) 72.4919 67.2464\r\n7784 17.7653 71(8) 72.7116 67.2406\r\n7785 17.7673 82(9) 72.9487 67.2347\r\n7786 17.7693 80(9) 73.1956 67.2288\r\n7787 17.7713 74(9) 73.4428 67.2229\r\n7788 17.7733 71(8) 73.6785 67.2169\r\n7789 17.7753 70(8) 73.8909 67.2110\r\n7790 17.7773 74(9) 74.0673 67.2050\r\n7791 17.7793 69(8) 74.1959 67.1991\r\n7792 17.7813 74(9) 74.2672 67.1931\r\n7793 17.7833 74(9) 74.2742 67.1871\r\n7794 17.7853 80(9) 74.2145 67.1810\r\n7795 17.7873 77(9) 74.0898 67.1750\r\n7796 17.7893 74(9) 73.9056 67.1690\r\n7797 17.7913 76(9) 73.6708 67.1629\r\n7798 17.7933 80(9) 73.3965 67.1568\r\n7799 17.7953 75(9) 73.0940 67.1507\r\n7800 17.7973 79(9) 72.7754 67.1446\r\n7801 17.7993 70(8) 72.4511 67.1385\r\n7802 17.8013 61(8) 72.1314 67.1323\r\n7803 17.8033 75(9) 71.8250 67.1261\r\n7804 17.8053 68(8) 71.5401 67.1200\r\n7805 17.8073 74(9) 71.2831 67.1138\r\n7806 17.8093 66(8) 71.0586 67.1076\r\n7807 17.8113 70(8) 70.8712 67.1013\r\n7808 17.8133 70(8) 70.7233 67.0951\r\n7809 17.8153 69(8) 70.6168 67.0888\r\n7810 17.8173 67(8) 70.5526 67.0826\r\n7811 17.8193 63(8) 70.5303 67.0763\r\n7812 17.8213 63(8) 70.5489 67.0700\r\n7813 17.8233 68(8) 70.6068 67.0636\r\n7814 17.8253 82(9) 70.7016 67.0573\r\n7815 17.8273 79(9) 70.8309 67.0509\r\n7816 17.8293 71(8) 70.9909 67.0446\r\n7817 17.8313 66(8) 71.1788 67.0382\r\n7818 17.8333 69(8) 71.3902 67.0318\r\n7819 17.8353 70(8) 71.6201 67.0254\r\n7820 17.8373 74(9) 71.8634 67.0189\r\n7821 17.8393 67(8) 72.1132 67.0125\r\n7822 17.8413 76(9) 72.3630 67.0060\r\n7823 17.8433 74(9) 72.6047 66.9995\r\n7824 17.8453 72(8) 72.8300 66.9930\r\n7825 17.8473 72(9) 73.0312 66.9865\r\n7826 17.8493 86(9) 73.2007 66.9800\r\n7827 17.8513 70(8) 73.3289 66.9734\r\n7828 17.8533 77(9) 73.4210 66.9669\r\n7829 17.8553 74(9) 73.4728 66.9603\r\n7830 17.8573 72(8) 73.4872 66.9537\r\n7831 17.8593 71(8) 73.4700 66.9471\r\n7832 17.8613 75(9) 73.4285 66.9404\r\n7833 17.8633 80(9) 73.3712 66.9338\r\n7834 17.8653 78(9) 73.3063 66.9271\r\n7835 17.8673 76(9) 73.2415 66.9205\r\n7836 17.8693 69(8) 73.1834 66.9138\r\n7837 17.8713 71(8) 73.1372 66.9071\r\n7838 17.8733 69(8) 73.1070 66.9003\r\n7839 17.8753 68(8) 73.0953 66.8936\r\n7840 17.8773 73(9) 73.1035 66.8868\r\n7841 17.8793 71(8) 73.1316 66.8801\r\n7842 17.8813 80(9) 73.1785 66.8733\r\n7843 17.8833 65(8) 73.2418 66.8664\r\n7844 17.8853 66(8) 73.3184 66.8596\r\n7845 17.8873 74(9) 73.4044 66.8528\r\n7846 17.8893 73(9) 73.4958 66.8459\r\n7847 17.8913 74(9) 73.5880 66.8390\r\n7848 17.8933 81(9) 73.6771 66.8321\r\n7849 17.8953 78(9) 73.7584 66.8252\r\n7850 17.8973 74(9) 73.8242 66.8183\r\n7851 17.8993 74(9) 73.8775 66.8114\r\n7852 17.9013 75(9) 73.9110 66.8044\r\n7853 17.9033 79(9) 73.9219 66.7974\r\n7854 17.9053 74(9) 73.9091 66.7904\r\n7855 17.9073 70(8) 73.8734 66.7834\r\n7856 17.9093 79(9) 73.8178 66.7764\r\n7857 17.9113 82(9) 73.7477 66.7693\r\n7858 17.9133 80(9) 73.6692 66.7623\r\n7859 17.9153 86(9) 73.5838 66.7552\r\n7860 17.9173 69(8) 73.5075 66.7481\r\n7861 17.9193 74(9) 73.4438 66.7410\r\n7862 17.9213 76(9) 73.3954 66.7339\r\n7863 17.9233 75(9) 73.3650 66.7267\r\n7864 17.9253 68(8) 73.3538 66.7196\r\n7865 17.9273 76(9) 73.3614 66.7124\r\n7866 17.9293 80(9) 73.3855 66.7052\r\n7867 17.9313 74(9) 73.4228 66.6980\r\n7868 17.9333 69(8) 73.4681 66.6907\r\n7869 17.9353 73(9) 73.5154 66.6835\r\n7870 17.9373 71(8) 73.5579 66.6762\r\n7871 17.9393 77(9) 73.5887 66.6690\r\n7872 17.9413 73(9) 73.6011 66.6617\r\n7873 17.9433 77(9) 73.5896 66.6543\r\n7874 17.9453 75(9) 73.5499 66.6470\r\n7875 17.9473 82(9) 73.4794 66.6397\r\n7876 17.9493 75(9) 73.3770 66.6323\r\n7877 17.9513 74(9) 73.2433 66.6249\r\n7878 17.9533 76(9) 73.0807 66.6175\r\n7879 17.9553 73(9) 72.8926 66.6101\r\n7880 17.9573 72(8) 72.6849 66.6027\r\n7881 17.9593 79(9) 72.4630 66.5952\r\n7882 17.9613 73(9) 72.2373 66.5877\r\n7883 17.9633 71(8) 72.0157 66.5802\r\n7884 17.9653 72(8) 71.8065 66.5727\r\n7885 17.9673 72(9) 71.6188 66.5652\r\n7886 17.9693 69(8) 71.4600 66.5577\r\n7887 17.9713 72(8) 71.3377 66.5501\r\n7888 17.9733 69(8) 71.2575 66.5425\r\n7889 17.9753 67(8) 71.2247 66.5349\r\n7890 17.9773 70(8) 71.2430 66.5273\r\n7891 17.9793 72(8) 71.3151 66.5197\r\n7892 17.9813 71(8) 71.4421 66.5121\r\n7893 17.9833 74(9) 71.6242 66.5044\r\n7894 17.9853 71(8) 71.8582 66.4967\r\n7895 17.9873 76(9) 72.1441 66.4890\r\n7896 17.9893 66(8) 72.4761 66.4813\r\n7897 17.9913 68(8) 72.8474 66.4736\r\n7898 17.9933 74(9) 73.2509 66.4658\r\n7899 17.9953 69(8) 73.6767 66.4580\r\n7900 17.9973 82(9) 74.1156 66.4502\r\n7901 17.9993 80(9) 74.5564 66.4424\r\n_pd_proc_number_of_points 7901\r\n\r\nloop_\r\n_refln_index_h\r\n_refln_index_k\r\n_refln_index_l\r\n_refln_mult\r\n_pd_refln_phase_id\r\n_refln_observed_status\r\n_refln_F_squared_meas\r\n_refln_F_squared_calc\r\n_refln_phase_calc\r\n_refln_d_spacing\r\n1 1 0 4 1 o 252.5883 283.6172 270.05 9.10032\r\n2 0 0 2 1 o 583.3576 627.6804 0.02 8.94992\r\n2 1 0 4 1 o 1714.8146 1505.8348 180.02 6.82977\r\n1 0 1 4 1 o 36.7282 31.0985 90.20 5.45040\r\n0 2 0 2 1 o 441.0119 399.7816 180.02 5.28400\r\n3 1 0 4 1 o 2476.2615 2370.8667 270.02 5.19570\r\n1 2 0 4 1 o 25.2071 24.1143 269.89 5.06780\r\n0 1 1 4 1 o 3513.8796 3519.7344 270.00 5.03185\r\n1 1 1 8 1 o 1970.1227 1977.3544 59.68 4.84409\r\n2 0 1 4 1 o 246.2663 301.0969 90.06 4.82100\r\n2 2 0 4 1 o 7949.5479 7431.4014 0.01 4.55016\r\n4 0 0 2 1 o 481.9542 376.9636 359.97 4.47496\r\n2 1 1 8 1 o 1512.8027 1495.8652 92.76 4.38616\r\n3 0 1 4 1 o 736.0627 733.7250 270.00 4.12988\r\n4 1 0 4 1 o 319.1750 340.6488 360.00 4.12075\r\n3 2 0 4 1 o 2475.2415 2242.5688 270.00 3.95578\r\n0 2 1 4 1 o 3943.0684 4077.0103 180.03 3.88201\r\n3 1 1 8 1 o 6622.1006 6734.2812 332.02 3.84659\r\n1 2 1 8 1 o 1086.3583 1029.6400 283.69 3.79381\r\n2 2 1 8 1 o 7666.4961 7770.9019 167.27 3.56142\r\n4 0 1 4 1 o 408.5091 444.5698 89.98 3.52502\r\n1 3 0 4 1 o 121.3891 124.4281 270.00 3.45637\r\n4 2 0 4 1 o 12.8133 12.8133 179.88 3.41489\r\n5 1 0 4 1 o 32.7498 132.9245 90.07 3.39070\r\n4 1 1 8 1 o 1489.2866 1606.9865 180.41 3.34390\r\n2 3 0 4 1 o 79.2047 119.5675 0.04 3.27790\r\n3 2 1 8 1 o 7776.2915 7835.3335 46.11 3.25392\r\n5 0 1 4 1 o 776.6262 777.7797 90.02 3.03494\r\n3 3 0 4 1 o 690.6548 681.1781 270.00 3.03344\r\n0 3 1 4 1 o 1126.4449 1062.2878 90.03 2.99979\r\n6 0 0 2 1 o 1200.8755 1110.7451 0.05 2.98331\r\n5 2 0 4 1 o 1943.0806 1786.1575 90.04 2.96380\r\n1 3 1 8 1 o 4964.0464 4848.1875 51.48 2.95853\r\n4 2 1 8 1 o 639.7804 656.6674 264.05 2.93239\r\n5 1 1 8 1 o 313.7856 308.5521 44.26 2.91703\r\n6 1 0 4 1 o 2887.3560 2692.4644 0.03 2.87110\r\n0 0 2 2 1 o 1681.7341 1666.1421 180.04 2.86106\r\n2 3 1 8 1 o 2030.9061 1843.2395 209.78 2.84428\r\n1 0 2 4 1 o 8.6768 6.4391 359.99 2.82520\r\n4 3 0 4 1 o 1308.1184 1097.5266 0.02 2.76795\r\n0 1 2 4 1 o 77.7388 58.2035 90.04 2.76164\r\n1 1 2 8 1 o 585.4205 613.7014 325.71 2.72935\r\n2 0 2 4 1 o 321.9555 335.5223 180.04 2.72520\r\n3 3 1 8 1 o 2410.5823 2442.5513 100.82 2.68013\r\n6 0 1 4 1 o 48.6298 43.6358 270.10 2.64536\r\n0 4 0 2 1 o 1096.9312 1174.5387 180.03 2.64200\r\n2 1 2 8 1 o 331.0220 338.5912 82.41 2.63887\r\n5 2 1 8 1 o 576.0572 519.7178 102.93 2.63173\r\n1 4 0 4 1 o 47.6865 36.5690 270.08 2.61368\r\n6 2 0 4 1 o 0.4673 0.2601 179.56 2.59785\r\n3 0 2 4 1 o 29.9841 25.9294 179.94 2.57980\r\n6 1 1 8 1 o 291.5532 275.3846 345.62 2.56619\r\n2 4 0 4 1 o 102.9217 99.1140 180.04 2.53390\r\n0 2 2 4 1 o 1479.6094 1493.9156 0.03 2.51593\r\n5 3 0 4 1 o 116.2276 121.2563 270.05 2.51092\r\n3 1 2 8 1 o 1606.6494 1583.7074 145.22 2.50621\r\n4 3 1 8 1 o 42.8730 42.6741 224.68 2.49173\r\n1 2 2 8 1 o 298.1322 296.3227 247.64 2.49144\r\n7 1 0 4 1 o 151.9326 122.4848 90.00 2.48540\r\n2 2 2 8 1 o 4098.3960 4020.4082 291.77 2.42205\r\n3 4 0 4 1 o 1335.5629 1355.0370 90.04 2.41577\r\n4 0 2 4 1 o 510.3264 450.1566 180.02 2.41050\r\n0 4 1 4 1 o 16.6463 18.5668 359.94 2.39867\r\n1 4 1 8 1 o 1930.2731 1710.2119 21.59 2.37742\r\n6 2 1 8 1 o 2040.1271 1837.5884 191.38 2.36548\r\n4 1 2 8 1 o 827.1421 790.5272 4.28 2.35014\r\n7 0 1 4 1 o 1132.2960 1152.0338 90.05 2.33461\r\n3 2 2 8 1 o 269.4706 279.7459 162.80 2.31826\r\n2 4 1 8 1 o 711.3229 747.2577 278.22 2.31690\r\n7 2 0 4 1 o 1759.1201 1695.5582 90.03 2.30176\r\n5 3 1 8 1 o 942.5795 929.8297 308.27 2.29929\r\n7 1 1 8 1 o 2550.1028 2636.2544 146.26 2.27964\r\n6 3 0 4 1 o 1.4281 1.5120 179.95 2.27659\r\n4 4 0 4 1 o 232.9564 253.9232 180.05 2.27508\r\n8 0 0 2 1 o 1135.4844 1285.8877 0.06 2.23748\r\n5 0 2 4 1 o 577.9318 613.5233 0.02 2.23500\r\n3 4 1 8 1 o 533.4266 606.2299 291.37 2.22556\r\n0 3 2 4 1 o 772.9008 942.2510 90.03 2.22085\r\n1 3 2 8 1 o 129.8224 225.7314 49.90 2.20395\r\n4 2 2 8 1 o 435.4448 502.0186 140.06 2.19308\r\n8 1 0 4 1 o 41.4438 51.5154 0.11 2.18896\r\n5 1 2 8 1 o 298.9152 383.5090 37.94 2.18663\r\n2 3 2 8 1 o 81.2147 130.6586 218.60 2.15548\r\n7 2 1 8 1 o 873.8517 882.8562 62.94 2.13546\r\n5 4 0 4 1 o 2157.1965 2221.4148 90.03 2.12579\r\n6 3 1 8 1 o 47.8568 48.3341 191.53 2.11532\r\n4 4 1 8 1 o 157.3705 163.1005 244.75 2.11411\r\n1 5 0 4 1 o 0.0294 0.0294 92.36 2.09902\r\n8 0 1 4 1 o 179.6385 190.3403 90.05 2.08384\r\n3 3 2 8 1 o 430.4570 418.2245 252.22 2.08135\r\n7 3 0 4 1 o 4.3186 11.8550 269.87 2.06938\r\n6 0 2 4 1 o 59.6853 60.2460 359.94 2.06494\r\n8 2 0 4 1 o 513.4291 464.5393 180.03 2.06037\r\n5 2 2 8 1 o 507.1584 477.3315 225.81 2.05844\r\n2 5 0 4 1 o 2114.4133 2048.6580 180.05 2.05702\r\n8 1 1 8 1 o 814.8790 853.1086 44.05 2.04447\r\n6 1 2 8 1 o 541.5382 486.6629 131.10 2.02661\r\n5 4 1 8 1 o 281.0623 295.9781 338.75 1.99272\r\n3 5 0 4 1 o 609.8543 644.6870 90.03 1.99229\r\n4 3 2 8 1 o 20.2137 19.3878 252.87 1.98934\r\n0 5 1 4 1 o 375.0093 344.7600 90.06 1.98267\r\n6 4 0 4 1 o 2293.6755 2177.7852 180.04 1.97789\r\n1 5 1 8 1 o 899.5895 853.9122 310.69 1.97062\r\n9 1 0 4 1 o 625.2271 674.2803 270.04 1.95456\r\n7 3 1 8 1 o 285.2259 268.2260 2.90 1.94603\r\n0 4 2 4 1 o 1814.4054 1706.8130 0.02 1.94100\r\n8 2 1 8 1 o 363.8685 346.6248 153.07 1.93854\r\n2 5 1 8 1 o 260.3402 253.2693 161.15 1.93574\r\n1 4 2 8 1 o 236.0944 207.4822 317.02 1.92969\r\n6 2 2 8 1 o 42.7537 42.2503 123.65 1.92329\r\n4 5 0 4 1 o 93.5771 97.5244 0.05 1.91115\r\n7 0 2 4 1 o 52.0807 44.7523 180.11 1.90659\r\n2 4 2 8 1 o 453.4123 493.5292 345.54 1.89691\r\n1 0 3 4 1 o 560.2070 606.2863 270.07 1.89663\r\n8 3 0 4 1 o 1454.3936 1453.1023 0.02 1.88870\r\n5 3 2 8 1 o 1153.4725 1128.4733 136.97 1.88721\r\n3 5 1 8 1 o 15.2310 15.7768 182.12 1.88151\r\n9 0 1 4 1 o 1404.6069 1362.5038 90.04 1.87863\r\n0 1 3 4 1 o 57.7556 55.3007 90.07 1.87704\r\n7 1 2 8 1 o 674.5881 645.8890 74.93 1.87630\r\n6 4 1 8 1 o 117.9500 106.5926 345.46 1.86936\r\n1 1 3 8 1 o 236.0762 223.1820 6.74 1.86681\r\n2 0 3 4 1 o 490.8964 480.4678 270.04 1.86548\r\n9 2 0 4 1 o 49.6983 51.2089 270.02 1.86138\r\n9 1 1 8 1 o 48.5583 40.0563 85.54 1.84963\r\n3 4 2 8 1 o 21.5757 21.0206 201.04 1.84579\r\n7 4 0 4 1 o 59.7394 56.7525 270.10 1.83743\r\n2 1 3 8 1 o 120.6773 113.2926 185.64 1.83708\r\n5 5 0 4 1 o 992.1492 958.2172 270.03 1.82006\r\n3 0 3 4 1 o 64.7421 52.6989 90.04 1.81680\r\n4 5 1 8 1 o 488.7102 402.8977 308.19 1.81272\r\n0 2 3 4 1 o 190.0611 177.3170 0.01 1.79407\r\n8 3 1 8 1 o 716.5750 667.3978 118.75 1.79353\r\n7 2 2 8 1 o 166.4192 154.9193 257.09 1.79342\r\n3 1 3 8 1 o 613.3745 574.9663 91.50 1.79053\r\n10 0 0 2 1 o 163.1850 154.8463 180.03 1.78998\r\n1 2 3 8 1 o 417.1871 435.5345 18.25 1.78512\r\n6 3 2 8 1 o 2861.1497 2801.4558 12.73 1.78144\r\n4 4 2 8 1 o 3055.6133 2970.3140 354.03 1.78071\r\n9 2 1 8 1 o 528.0624 502.2780 314.93 1.77009\r\n10 1 0 4 1 o 46.1611 49.3595 180.11 1.76485\r\n8 0 2 4 1 o 290.9556 319.7669 180.06 1.76251\r\n0 6 0 2 1 o 427.4707 460.0757 180.07 1.76133\r\n2 2 3 8 1 o 1501.9244 1528.6420 15.14 1.75907\r\n4 0 3 4 1 o 163.4889 165.6037 90.06 1.75463\r\n1 6 0 4 1 o 210.7750 218.3850 270.07 1.75287\r\n7 4 1 8 1 o 350.8716 360.0915 224.66 1.74945\r\n8 1 2 8 1 o 1281.1041 1268.4805 112.12 1.73850\r\n5 5 1 8 1 o 1068.2640 1114.5957 110.13 1.73444\r\n9 3 0 4 1 o 374.2291 375.9719 90.04 1.73190\r\n4 1 3 8 1 o 765.3439 745.7647 255.19 1.73094\r\n2 6 0 4 1 o 9.5917 8.9717 359.90 1.72819\r\n6 5 0 4 1 o 1113.2767 1120.6976 0.06 1.72463\r\n3 2 3 8 1 o 640.8815 608.2123 126.83 1.71808\r\n10 0 1 4 1 o 381.9488 391.2484 90.05 1.70835\r\n8 4 0 4 1 o 5.1198 5.1796 180.05 1.70744\r\n5 4 2 8 1 o 2531.6602 2529.4253 202.33 1.70634\r\n0 5 2 4 1 o 959.9896 896.7213 270.03 1.70002\r\n10 2 0 4 1 o 28.4197 24.0235 180.06 1.69535\r\n1 5 2 8 1 o 455.3045 428.1543 336.57 1.69240\r\n3 6 0 4 1 o 294.4746 296.9881 90.03 1.68927\r\n10 1 1 8 1 o 888.9274 879.6335 61.87 1.68646\r\n0 6 1 4 1 o 160.3404 153.0599 0.08 1.68339\r\n5 0 3 4 1 o 1754.6246 1674.2721 90.03 1.68335\r\n0 3 3 4 1 o 12.8173 12.9906 270.00 1.67728\r\n7 3 2 8 1 o 528.4625 538.6096 281.15 1.67675\r\n1 6 1 8 1 o 268.1206 274.8535 264.16 1.67599\r\n8 2 2 8 1 o 1082.1034 1053.3760 318.74 1.67195\r\n2 5 2 8 1 o 847.0462 832.3160 16.28 1.67016\r\n1 3 3 8 1 o 36.7814 36.2046 112.74 1.66997\r\n4 2 3 8 1 o 266.1373 268.7630 348.04 1.66522\r\n5 1 3 8 1 o 1344.1746 1304.0979 284.82 1.66240\r\n9 3 1 8 1 o 396.0600 374.3681 130.02 1.65764\r\n2 6 1 8 1 o 775.2845 798.1418 332.10 1.65438\r\n6 5 1 8 1 o 304.8421 300.5358 144.04 1.65126\r\n2 3 3 8 1 o 559.8240 520.2185 210.90 1.64858\r\n4 6 0 4 1 o 1406.9901 1544.2186 0.04 1.63895\r\n8 4 1 8 1 o 355.1352 366.2701 227.05 1.63616\r\n3 5 2 8 1 o 173.9715 169.8680 215.72 1.63495\r\n9 0 2 4 1 o 340.6863 321.1176 0.04 1.63306\r\n7 5 0 4 1 o 5.5591 5.7590 269.98 1.62913\r\n6 4 2 8 1 o 2037.4088 2117.2798 55.71 1.62696\r\n10 2 1 8 1 o 16.0757 16.2225 41.78 1.62551\r\n3 6 1 8 1 o 1329.3716 1363.9449 319.23 1.62014\r\n3 3 3 8 1 o 654.7253 608.1313 337.98 1.61470\r\n9 1 2 8 1 o 128.1370 120.7324 359.83 1.61390\r\n11 1 0 4 1 o 9.6068 10.9695 89.98 1.60830\r\n6 0 3 4 1 o 219.9908 251.1497 270.02 1.60700\r\n5 2 3 8 1 o 422.9947 451.8391 208.28 1.60393\r\n10 3 0 4 1 o 14.5233 10.3357 179.96 1.59579\r\n4 5 2 8 1 o 753.6506 705.8807 35.89 1.58920\r\n9 4 0 4 1 o 1851.6163 1727.9626 90.03 1.58897\r\n6 1 3 8 1 o 52.3315 48.6072 51.56 1.58874\r\n5 6 0 4 1 o 74.2486 116.6234 270.08 1.58041\r\n8 3 2 8 1 o 189.9479 228.1381 194.09 1.57622\r\n4 6 1 8 1 o 312.0933 372.2260 335.73 1.57559\r\n4 3 3 8 1 o 123.7518 116.5186 256.56 1.57059\r\n7 5 1 8 1 o 83.7518 154.4532 10.53 1.56686\r\n11 0 1 4 1 o 1.1630 5.8801 269.85 1.56520\r\n9 2 2 8 1 o 300.4998 313.3697 302.08 1.56024\r\n11 2 0 4 1 o 1197.0242 1210.3053 90.04 1.55518\r\n11 1 1 8 1 o 49.8775 47.7121 330.25 1.54831\r\n0 4 3 4 1 o 59.3610 59.8408 359.98 1.54647\r\n7 4 2 8 1 o 262.7455 274.2209 310.46 1.54606\r\n1 4 3 8 1 o 147.7384 136.4066 132.28 1.54073\r\n6 2 3 8 1 o 191.4157 174.8289 63.32 1.53747\r\n10 3 1 8 1 o 468.4174 431.4873 50.31 1.53713\r\n8 5 0 4 1 o 73.9361 69.1647 180.09 1.53647\r\n5 5 2 8 1 o 1047.4507 993.5071 248.31 1.53567\r\n9 4 1 8 1 o 648.6392 629.0947 48.87 1.53103\r\n7 0 3 4 1 o 1196.7867 1146.7538 270.06 1.52890\r\n2 4 3 8 1 o 299.3787 306.8231 59.60 1.52389\r\n5 6 1 8 1 o 83.7645 86.0348 172.59 1.52338\r\n5 3 3 8 1 o 864.8391 874.4313 247.43 1.51885\r\n10 0 2 4 1 o 1133.3859 1187.7058 180.04 1.51747\r\n6 6 0 4 1 o 8.5043 9.0374 0.03 1.51672\r\n7 1 3 8 1 o 386.1410 342.8673 297.16 1.51314\r\n1 7 0 4 1 o 40.4809 33.0494 90.00 1.50437\r\n10 1 2 8 1 o 51.9892 47.0694 85.29 1.50206\r\n11 2 1 8 1 o 573.1323 513.2485 85.42 1.50074\r\n0 6 2 4 1 o 129.5645 114.5142 0.07 1.49989\r\n3 4 3 8 1 o 259.6113 237.9792 53.88 1.49701\r\n1 6 2 8 1 o 293.7394 286.2764 126.31 1.49466\r\n12 0 0 2 1 o 17.4990 15.6112 359.98 1.49165\r\n2 7 0 4 1 o 1082.3081 1206.2179 0.04 1.48868\r\n8 5 1 8 1 o 164.6391 153.4880 125.11 1.48391\r\n10 4 0 4 1 o 406.8623 387.5367 0.04 1.48190\r\n9 3 2 8 1 o 107.8167 103.2356 248.96 1.48159\r\n2 6 2 8 1 o 254.9059 249.9799 61.52 1.47927\r\n11 3 0 4 1 o 114.3093 103.1618 89.98 1.47726\r\n6 5 2 8 1 o 43.3384 38.5699 63.00 1.47704\r\n12 1 0 4 1 o 185.2387 164.6328 180.04 1.47701\r\n7 2 3 8 1 o 7.5416 11.7158 98.86 1.46865\r\n8 4 2 8 1 o 103.9925 103.4612 231.25 1.46619\r\n6 6 1 8 1 o 138.6798 137.8889 339.54 1.46609\r\n3 7 0 4 1 o 84.0078 88.6211 270.02 1.46359\r\n6 3 3 8 1 o 130.5052 138.6508 105.77 1.46205\r\n4 4 3 8 1 o 129.1413 133.1508 36.49 1.46165\r\n0 7 1 4 1 o 155.9823 142.8821 90.03 1.45976\r\n10 2 2 8 1 o 69.7368 63.0510 296.39 1.45852\r\n1 7 1 8 1 o 160.4211 140.4996 9.65 1.45493\r\n3 6 2 8 1 o 249.8646 215.6773 174.34 1.45464\r\n8 0 3 4 1 o 91.3502 61.9729 270.09 1.45154\r\n7 6 0 4 1 o 128.3905 86.5823 270.13 1.45054\r\n9 5 0 4 1 o 316.5220 236.4890 90.08 1.44843\r\n12 0 1 4 1 o 123.6600 121.0302 270.07 1.44342\r\n2 7 1 8 1 o 993.3185 1125.2820 6.42 1.44072\r\n8 1 3 8 1 o 45.4166 42.4681 290.23 1.43803\r\n12 2 0 4 1 o 64.3457 64.6180 0.06 1.43555\r\n10 4 1 8 1 o 14.2601 16.0239 47.52 1.43457\r\n0 0 4 2 1 o 128.9829 110.5525 0.07 1.43053\r\n4 7 0 4 1 o 17.4775 14.9754 180.02 1.43050\r\n11 3 1 8 1 o 384.9544 329.4344 35.43 1.43036\r\n12 1 1 8 1 o 201.8945 172.5739 314.46 1.43014\r\n1 0 4 4 1 o 28.0809 18.8659 0.17 1.42598\r\n4 6 2 8 1 o 14.1175 10.9718 251.89 1.42214\r\n5 4 3 8 1 o 1259.4360 1098.2747 68.37 1.41967\r\n3 7 1 8 1 o 32.4058 30.4604 125.15 1.41794\r\n0 1 4 4 1 o 713.8278 680.3589 90.05 1.41760\r\n0 5 3 4 1 o 211.7805 209.1486 270.04 1.41603\r\n7 5 2 8 1 o 445.9502 442.4462 172.87 1.41571\r\n11 0 2 4 1 o 885.6306 899.9298 0.05 1.41448\r\n1 1 4 8 1 o 107.2080 115.6269 95.37 1.41317\r\n2 0 4 4 1 o 337.6689 381.1399 0.06 1.41260\r\n1 5 3 8 1 o 123.2009 151.4928 85.75 1.41162\r\n7 6 1 8 1 o 483.6289 508.5161 305.25 1.40606\r\n9 5 1 8 1 o 211.3463 216.2695 284.56 1.40415\r\n7 3 3 8 1 o 175.0714 169.3929 119.13 1.40250\r\n11 1 2 8 1 o 244.5771 236.3351 251.44 1.40198\r\n2 1 4 8 1 o 594.3906 651.2679 199.71 1.40015\r\n8 2 3 8 1 o 29.1099 34.1180 85.69 1.39968\r\n2 5 3 8 1 o 10.7594 14.9590 322.78 1.39863\r\n10 3 2 8 1 o 601.3165 612.2534 205.98 1.39366\r\n12 2 1 8 1 o 617.6385 615.2599 207.37 1.39240\r\n3 0 4 4 1 o 195.8671 193.0935 180.01 1.39111\r\n5 7 0 4 1 o 85.5254 84.2662 90.04 1.39108\r\n9 4 2 8 1 o 248.6534 222.9185 338.62 1.38911\r\n4 7 1 8 1 o 22.4227 18.6493 324.47 1.38779\r\n11 4 0 4 1 o 173.6219 151.7338 90.08 1.38554\r\n8 6 0 4 1 o 212.9660 203.4762 180.11 1.38397\r\n5 6 2 8 1 o 1043.5552 1014.8193 35.80 1.38339\r\n0 2 4 4 1 o 32.4340 30.7942 180.10 1.38082\r\n3 1 4 8 1 o 57.8801 55.7226 230.22 1.37921\r\n3 5 3 8 1 o 100.6625 95.6059 79.76 1.37776\r\n1 2 4 8 1 o 84.6576 80.1952 155.82 1.37673\r\n9 0 3 4 1 o 220.9478 209.5353 270.11 1.37663\r\n12 3 0 4 1 o 587.6193 596.3290 0.06 1.37358\r\n6 4 3 8 1 o 111.0685 116.7241 175.88 1.37297\r\n11 2 2 8 1 o 422.5794 438.6124 29.51 1.36637\r\n10 5 0 4 1 o 7.9954 8.3098 180.30 1.36595\r\n13 1 0 4 1 o 149.9459 158.8634 270.03 1.36537\r\n9 1 3 8 1 o 82.5975 88.7820 120.12 1.36509\r\n2 2 4 8 1 o 0.0891 0.0982 44.30 1.36467\r\n4 0 4 4 1 o 443.0630 490.4429 0.05 1.36260\r\n8 5 2 8 1 o 78.1396 57.8723 85.18 1.35363\r\n5 7 1 8 1 o 48.0320 40.2218 238.56 1.35171\r\n4 1 4 8 1 o 11.8050 10.0481 298.66 1.35141\r\n4 5 3 8 1 o 461.6884 414.4883 121.39 1.35005\r\n6 7 0 4 1 o 0.2464 0.2316 181.60 1.34705\r\n11 4 1 8 1 o 371.1698 350.7289 279.43 1.34662\r\n3 2 4 8 1 o 570.8712 552.3034 87.60 1.34527\r\n8 6 1 8 1 o 166.2887 161.0882 45.62 1.34519\r\n8 3 3 8 1 o 110.0358 107.0789 35.43 1.34207\r\n6 6 2 8 1 o 181.2347 174.1615 214.41 1.34006\r\n13 0 1 4 1 o 75.9677 73.3770 90.06 1.33870\r\n12 3 1 8 1 o 347.4633 408.6020 348.13 1.33564\r\n0 7 2 4 1 o 255.1958 305.2726 270.08 1.33522\r\n13 2 0 4 1 o 530.3343 549.5426 90.07 1.33242\r\n9 2 3 8 1 o 114.3424 116.3743 76.19 1.33216\r\n1 7 2 8 1 o 101.1624 99.1979 74.82 1.33152\r\n10 5 1 8 1 o 135.7588 131.3797 244.27 1.32862\r\n5 0 4 4 1 o 1354.5209 1322.1514 180.05 1.32840\r\n13 1 1 8 1 o 19.4043 19.2202 177.93 1.32809\r\n0 3 4 4 1 o 126.7573 136.2598 270.05 1.32541\r\n7 4 3 8 1 o 638.1797 629.6389 75.07 1.32330\r\n12 0 2 4 1 o 0.2462 0.2434 359.46 1.32268\r\n1 3 4 8 1 o 70.1275 69.9354 280.65 1.32179\r\n0 8 0 2 1 o 222.6403 218.9390 0.09 1.32100\r\n2 7 2 8 1 o 194.1507 187.8103 239.43 1.32061\r\n4 2 4 8 1 o 590.0874 541.7635 31.68 1.31943\r\n9 6 0 4 1 o 0.0588 0.0532 269.90 1.31859\r\n5 1 4 8 1 o 42.7885 38.8444 301.09 1.31803\r\n1 8 0 4 1 o 69.5598 63.6150 270.04 1.31742\r\n5 5 3 8 1 o 430.8511 397.8816 20.28 1.31676\r\n10 4 2 8 1 o 371.5950 350.8458 58.74 1.31587\r\n11 3 2 8 1 o 73.9142 74.5025 182.08 1.31261\r\n12 1 2 8 1 o 0.0000 298.3715 356.26 1.31244\r\n6 7 1 8 1 o 0.0000 266.5339 123.64 1.31121\r\n2 3 4 8 1 o 0.0000 865.7108 64.37 1.31111\r\n2 8 0 4 1 o 0.0000 173.9344 0.05 1.30684\r\n10 0 3 4 1 o 0.0000 1.9859 90.30 1.30524\r\n3 7 2 8 1 o 0.0000 164.4303 287.30 1.30300\r\n\r\n" }, { "path": "pyxtal/database/cifs/sim-0.vasp", "content": "Li4 P12 W8 O48\n1.0\n12.565191 0.000000 -8.947955\n0.000000 8.755882 0.000000\n0.000000 0.000000 8.931767\nW Li \n8 4 \ndirect\n0.109249 0.744985 0.325359 W\n0.609249 0.244985 0.325359 W\n0.890751 0.744985 0.674641 W\n0.390751 0.244985 0.674641 W\n0.109249 0.244831 0.825359 W\n0.609249 0.744831 0.825359 W\n0.890751 0.244831 0.174641 W\n0.390751 0.744831 0.174641 W\n0.250000 0.244908 0.250000 Li\n0.750000 0.744908 0.250000 Li\n0.750000 0.244908 0.750000 Li\n0.250000 0.744908 0.750000 Li\n" }, { "path": "pyxtal/database/cifs/sim-1.vasp", "content": "Li4 W8\n1.0\n12.565191 0.000000 -8.915579\n0.000000 8.755882 0.000000\n0.000000 0.000000 8.931767\nW Li\n8 4 \ndirect\n 0.109249 0.749923 -0.606861 W\n 0.609249 0.249923 -0.606861 W\n 0.890751 0.749923 0.606861 W\n 0.390751 0.249923 0.606861 W\n 0.109249 0.250077 0.893139 W\n 0.609249 0.750077 0.893139 W\n 0.890751 0.250077 -0.893139 W\n 0.390751 0.750077 -0.893139 W\n 0.250000 0.250000 0.750000 Li\n 0.750000 0.750000 0.750000 Li\n 0.750000 0.250000 0.250000 Li\n 0.250000 0.750000 0.250000 Li\n" }, { "path": "pyxtal/database/cifs/xxvi.cif", "content": "#======================================================================\n\n# CRYSTAL DATA\n\n#----------------------------------------------------------------------\n\ndata_VESTA_phase_1\n\n\n_chemical_name_common 'C34 H22 Cl2 N2 O2'\n_cell_length_a 10.4022(8)\n_cell_length_b 11.0302(14)\n_cell_length_c 14.179(1)\n_cell_angle_alpha 76.829(8)\n_cell_angle_beta 73.331(7)\n_cell_angle_gamma 63.470(12)\n_space_group_name_H-M_alt 'P -1'\n_space_group_IT_number 2\n\nloop_\n_space_group_symop_operation_xyz\n 'x, y, z'\n '-x, -y, -z'\n\nloop_\n _atom_site_label\n _atom_site_occupancy\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n Cl1 1.0 0.42324(8) 0.86294(10) 0.38315(5) \n Cl2 1.0 0.19704(11) 1.32826(10) 0.35242(7) \n O1 1.0 0.0265(2) 0.8255(2) 0.57289(11) \n O2 1.0 0.1949(4) 1.2898(2) 0.07664(16) \n N1 1.0 0.1339(2) 0.8332(2) 0.41005(13) \n H1 1.0 0.217(2) 0.814(2) 0.3696(17) \n N2 1.0 0.1416(2) 1.1655(2) 0.22127(14) \n H2 1.0 0.084(3) 1.169(3) 0.2766(14) \n C1 1.0 0.0351(2) 0.9550(2) 0.26655(16) \n C2 1.0 -0.0864(4) 1.0267(2) 0.21899(17) \n C3 1.0 -0.0703(4) 1.0836(4) 0.1183(2) \n H3 1.0 0.022200 1.075600 0.081000 \n C4 1.0 -0.1901(4) 1.1503(4) 0.0756(2) \n H4 1.0 -0.177800 1.187100 0.009400 \n C5 1.0 -0.3299(4) 1.1644(4) 0.1290(4) \n H5 1.0 -0.409800 1.209800 0.098400 \n C6 1.0 -0.3497(4) 1.1121(4) 0.2254(2) \n H6 1.0 -0.443500 1.122100 0.260800 \n C7 1.0 -0.2298(4) 1.0424(2) 0.27299(18) \n C8 1.0 -0.2475(4) 0.9871(4) 0.3730(2) \n H8 1.0 -0.341100 0.997100 0.409000 \n C9 1.0 -0.1326(2) 0.9197(2) 0.41863(17) \n H9 1.0 -0.147800 0.883800 0.484900 \n C10 1.0 0.0111(2) 0.9037(2) 0.36536(16) \n C11 1.0 0.1373(4) 0.8013(2) 0.50771(16) \n C12 1.0 0.2857(4) 0.7272(2) 0.53361(16) \n C13 1.0 0.2926(4) 0.6310(4) 0.6174(2) \n H13 1.0 0.208000 0.618200 0.651500 \n C14 1.0 0.4201(4) 0.5551(4) 0.6507(2) \n H14 1.0 0.421400 0.490900 0.706200 \n C15 1.0 0.5453(4) 0.5730(4) 0.6030(2) \n H15 1.0 0.632000 0.520900 0.625500 \n C16 1.0 0.5427(4) 0.6686(4) 0.5213(2) \n H16 1.0 0.627300 0.682600 0.489400 \n C17 1.0 0.4149(4) 0.7438(4) 0.48663(17) \n C18 1.0 0.1881(2) 0.9328(2) 0.20988(14) \n C19 1.0 0.2866(2) 0.8033(2) 0.17669(14) \n C20 1.0 0.2432(4) 0.6940(2) 0.19137(17) \n H20 1.0 0.148000 0.705600 0.224400 \n C21 1.0 0.3402(4) 0.5722(4) 0.1573(2) \n H21 1.0 0.309600 0.502100 0.167100 \n C22 1.0 0.4838(4) 0.5507(4) 0.1082(2) \n H22 1.0 0.548900 0.466200 0.087000 \n C23 1.0 0.5287(4) 0.6526(4) 0.09156(17) \n H23 1.0 0.624400 0.638000 0.057500 \n C24 1.0 0.4330(4) 0.7813(2) 0.12491(16) \n C25 1.0 0.4767(4) 0.8895(4) 0.10814(17) \n H25 1.0 0.572200 0.876400 0.074800 \n C26 1.0 0.3826(4) 1.0120(4) 0.13948(17) \n H26 1.0 0.414600 1.081600 0.127900 \n C27 1.0 0.2362(2) 1.0359(2) 0.18968(16) \n C28 1.0 0.1326(4) 1.2841(4) 0.1642(2) \n C29 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-2.08555716426175\n ],\n [\n -1.225240589119497,\n -0.919224751628042,\n -2.10007871124987\n ],\n [\n -1.875105388234097,\n -6.128364845e-06,\n -2.084928691601471\n ],\n [\n -1.225240719112564,\n 0.91921249964902,\n -2.10008399817578\n ],\n [\n -0.552226436269742,\n 1.82147274128211,\n -2.085567640576173\n ],\n [\n 0.523008740448795,\n 1.487317825463655,\n -2.101595039988109\n ],\n [\n 1.589256649180015,\n 1.125747454333899,\n -2.087656166997061\n ],\n [\n 1.603643642740317,\n -5.932731485e-06,\n -2.1024348192716\n ],\n [\n 1.589256808380586,\n -1.125759236812741,\n -2.087649692177726\n ],\n [\n -0.257654157064559,\n -0.914212924636639,\n -2.675780192901861\n ],\n [\n -0.921707403782454,\n -7.758762278e-06,\n -2.675313076997909\n ],\n [\n -0.257654286348645,\n 0.91419749831868,\n -2.675785450992901\n ],\n [\n 0.817034681582929,\n 0.56501186239525,\n -2.676671108662089\n ],\n [\n 0.817034761486247,\n -0.565027141833683,\n -2.676667858927845\n ],\n [\n 0.038987555200302,\n -9.339394091e-06,\n -3.248571742187107\n ],\n [\n -1.529557266861372,\n 8.722181574e-06,\n 3.07059634211547\n ],\n [\n -2.300096225131465,\n 0.55951867928707,\n 2.482861963855874\n ],\n [\n -2.300096146007044,\n -0.55950472426175,\n 2.482865181911764\n ]\n ]\n },\n \"energy\": -893.310257879411,\n \"url\": \"http://doye.chem.ox.ac.uk/jon/structures/LJ/points/150\",\n \"pointgroup\": \"C3v\"\n }\n]" }, { "path": "pyxtal/database/collection.py", "content": "import json\nimport os.path as op\n\nfrom pymatgen.core.structure import Molecule\n\n\nclass Collection:\n \"\"\"Collection of molecular data.\n Used for obtaining pymatgen objects from a small database file.\n\n Example of use:\n\n >>> from pyxtal.database.collection import Collection\n >>> test=Collection('molecules')\n >>> test['H2O']\n Molecule Summary\n Site: O (0.0000, 0.0000, 0.0000)\n Site: H (0.2774, 0.8929, 0.2544)\n Site: H (0.6068, -0.2383, -0.7169)\n >>> list(test)\n ['C60', 'H2O', 'CH4', 'NH3', 'benzene', 'naphthalene', 'anthracene', 'tetracene', 'pentacene', 'coumarin', 'resorcinol', 'benzamide', 'aspirin', 'ddt', 'lindane', 'glycine', 'glucose', 'ROY']\n\n Args:\n name: the type of collection to get. Defaults to \"molecules\"\n \"\"\"\n\n def __init__(self, name=\"molecules\"):\n \"\"\"Create a collection lazily.\n\n Will read data from json file when needed.\n\n A collection can be iterated over to get the Atoms objects and indexed\n with names to get individual members.\n\n Attributes:\n\n name: str\n Name of collection.\n data: object\n Pymetgen molecule object\n filename: str\n Location of json file.\n \"\"\"\n\n self.name = name\n self._data = {}\n self.filename = op.join(op.dirname(__file__), name + \".json\")\n with open(self.filename) as f:\n self.content = json.load(f)\n\n def __getitem__(self, name):\n self._read(name)\n if len(self._data) == 0:\n names = \"\"\n for dct in self.content:\n names += dct[\"name\"] + \", \"\n msg = name + \" is not supported\\n\"\n msg += \"Available molecules are:\\n\"\n msg += names\n raise NameError(msg)\n else:\n return self._data\n\n def __iter__(self):\n for dct in self.content:\n yield dct[\"name\"]\n\n def _read(self, name):\n if self.name == \"molecules\":\n \"\"\"\n read the data by name and convert it to pymatgen format\n \"\"\"\n for dct in self.content:\n if dct[\"name\"].lower() == name.lower():\n pos = dct[\"xyz\"]\n symbols = dct[\"elements\"]\n self._data = Molecule(symbols, pos)\n elif self.name == \"clusters\":\n for dct in self.content:\n if dct[\"name\"] == int(name):\n self._data = dct\n\n def show_names(self):\n names = []\n for dct in self.content:\n names.append(dct[\"name\"])\n print(names)\n" }, { "path": "pyxtal/database/element.py", "content": "\"\"\"\nModule for handling atomic elements.\n\"\"\"\n\n\nclass Element:\n \"\"\"\n Class for storing and accessing atomic elements.\n\n Args:\n input_value: The atomic number, symbol, or name of the element\n \"\"\"\n\n def __init__(self, input_value):\n self.input = input_value\n\n # list with atomic number z, short name, full name, valence,\n # mass, valence electrons, covalent radius, vdW radius, metallic radius\n self.elements_list = [\n (1, \"H\", \"Hydrogen\", 1.008, 1.0, 1, 0.31, 1.20, None),\n (2, \"He\", \"Helium\", 4.0026, 0.5, 2, 0.28, 1.40, None),\n (3, \"Li\", \"Lithium\", 6.94, 1.0, 1, 1.28, 1.82, 1.52),\n (4, \"Be\", \"Beryllium\", 9.0122, 2.0, 2, 0.96, 1.53, 1.12),\n (5, \"B\", \"Boron\", 10.81, 3.0, 3, 0.84, 1.92, None),\n (6, \"C\", \"Carbon\", 12.011, 4.0, 4, 0.78, 1.70, None),\n (7, \"N\", \"Nitrogen\", 14.007, 3.0, 5, 0.78, 1.55, None),\n (8, \"O\", \"Oxygen\", 15.999, 2.0, 6, 0.70, 1.52, None),\n (9, \"F\", \"Fluorine\", 18.998, 1.0, 7, 0.57, 1.47, None),\n (10, \"Ne\", \"Neon\", 20.180, 0.5, 8, 0.58, 1.54, None),\n (11, \"Na\", \"Sodium\", 22.990, 1.0, 1, 1.66, 2.27, 1.86),\n (12, \"Mg\", \"Magnesium\", 24.305, 2.0, 2, 1.41, 1.73, 1.60),\n (13, \"Al\", \"Aluminium\", 26.982, 3.0, 3, 1.21, 1.84, 1.43),\n (14, \"Si\", \"Silicon\", 28.085, 4.0, 4, 1.11, 2.10, None),\n (15, \"P\", \"Phosphorus\", 30.974, 3.0, 5, 1.07, 1.80, None),\n (16, \"S\", \"Sulfur\", 32.06, 2.0, 6, 1.25, 1.80, None),\n (17, \"Cl\", \"Chlorine\", 35.45, 1.0, 7, 1.02, 1.75, None),\n (18, \"Ar\", \"Argon\", 39.948, 0.5, 8, 1.06, 1.88, None),\n (19, \"K\", \"Potassium\", 39.098, 1.0, 1, 2.03, 2.75, 2.27),\n (20, \"Ca\", \"Calcium\", 40.078, 2.0, 2, 1.76, 2.31, 1.97),\n (21, \"Sc\", \"Scandium\", 44.956, 3.0, 3, 1.70, 2.11, 1.62),\n (22, \"Ti\", \"Titanium\", 47.867, 4.0, 4, 1.60, 2.00, 1.47),\n (23, \"V\", \"Vanadium\", 50.942, 4.0, 5, 1.53, 2.00, 1.34),\n (24, \"Cr\", \"Chromium\", 51.996, 3.0, 6, 1.39, 2.00, 1.28),\n (25, \"Mn\", \"Manganese\", 54.938, 4.0, 5, 1.39, 2.00, 1.27),\n (26, \"Fe\", \"Iron\", 55.845, 3.0, 3, 1.32, 2.00, 1.26),\n (27, \"Co\", \"Cobalt\", 58.933, 3.0, 3, 1.26, 2.00, 1.25),\n (28, \"Ni\", \"Nickel\", 58.693, 2.0, 3, 1.24, 1.63, 1.24),\n (29, \"Cu\", \"Copper\", 63.546, 2.0, 2, 1.32, 1.40, 1.28),\n (30, \"Zn\", \"Zinc\", 65.38, 2.0, 2, 1.22, 1.39, 1.34),\n (31, \"Ga\", \"Gallium\", 69.723, 3.0, 3, 1.22, 1.87, 1.35),\n (32, \"Ge\", \"Germanium\", 72.63, 4.0, 4, 1.20, 2.11, None),\n (33, \"As\", \"Arsenic\", 74.922, 3.0, 5, 1.19, 1.85, None),\n (34, \"Se\", \"Selenium\", 78.96, 2.0, 6, 1.20, 1.90, None),\n (35, \"Br\", \"Bromine\", 79.904, 1.0, 7, 1.20, 1.85, None),\n (36, \"Kr\", \"Krypton\", 83.798, 0.5, 8, 1.16, 2.02, None),\n (37, \"Rb\", \"Rubidium\", 85.468, 1.0, 1, 2.20, 3.03, 2.48),\n (38, \"Sr\", \"Strontium\", 87.62, 2.0, 2, 1.95, 2.49, 2.15),\n (39, \"Y\", \"Yttrium\", 88.906, 3.0, 3, 1.90, 2.00, 1.80),\n (40, \"Zr\", \"Zirconium\", 91.224, 4.0, 4, 1.75, 2.00, 1.60),\n (41, \"Nb\", \"Niobium\", 92.906, 5.0, 5, 1.64, 2.00, 1.46),\n (42, \"Mo\", \"Molybdenum\", 95.95, 4.0, 6, 1.54, 2.00, 1.39),\n (43, \"Tc\", \"Technetium\", 98.0, 4.0, 5, 1.47, 2.00, 1.36),\n (44, \"Ru\", \"Ruthenium\", 101.07, 4.0, 3, 1.46, 2.00, 1.34),\n (45, \"Rh\", \"Rhodium\", 102.91, 4.0, 3, 1.42, 1.63, 1.34),\n (46, \"Pd\", \"Palladium\", 106.42, 4.0, 3, 1.39, 1.72, 1.37),\n (47, \"Ag\", \"Silver\", 107.87, 1.0, 2, 1.45, 1.58, 1.44),\n (48, \"Cd\", \"Cadmium\", 112.41, 2.0, 2, 1.44, 1.93, 1.51),\n (49, \"In\", \"Indium\", 114.82, 3.0, 3, 1.42, 2.17, 1.67),\n (50, \"Sn\", \"Tin\", 118.71, 4.0, 4, 1.39, 2.06, None),\n (51, \"Sb\", \"Antimony\", 121.76, 3.0, 5, 1.39, 2.06, None),\n (52, \"Te\", \"Tellurium\", 127.60, 2.0, 6, 1.38, 2.06, None),\n (53, \"I\", \"Iodine\", 126.90, 1.0, 7, 1.39, 1.98, None),\n (54, \"Xe\", \"Xenon\", 131.29, 0.5, 8, 1.40, 2.16, None),\n (55, \"Cs\", \"Caesium\", 132.91, 1.0, 1, 2.44, 3.43, 2.65),\n (56, \"Ba\", \"Barium\", 137.33, 2.0, 2, 2.15, 2.68, 2.22),\n (57, \"La\", \"Lanthanum\", 138.91, 3.0, 3, 2.07, 2.10, 1.87),\n (58, \"Ce\", \"Cerium\", 140.12, 4.0, 3, 2.04, 2.10, 1.818),\n (59, \"Pr\", \"Praseodymium\", 140.91, 3.0, 3, 2.03, 2.10, 1.824),\n (60, \"Nd\", \"Neodymium\", 144.24, 3.0, 3, 2.01, 2.10, 1.814),\n (61, \"Pm\", \"Promethium\", 145.0, 3.0, 3, 1.99, 2.10, 1.834),\n (62, \"Sm\", \"Samarium\", 150.36, 3.0, 3, 1.98, 2.10, 1.804),\n (63, \"Eu\", \"Europium\", 151.96, 3.0, 3, 1.98, 2.10, 1.804),\n (64, \"Gd\", \"Gadolinium\", 157.25, 3.0, 3, 1.96, 2.10, 1.804),\n (65, \"Tb\", \"Terbium\", 158.93, 3.0, 3, 1.94, 2.10, 1.773),\n (66, \"Dy\", \"Dysprosium\", 162.50, 3.0, 3, 1.92, 2.10, 1.781),\n (67, \"Ho\", \"Holmium\", 164.93, 3.0, 3, 1.92, 2.10, 1.762),\n (68, \"Er\", \"Erbium\", 167.26, 3.0, 3, 1.89, 2.10, 1.761),\n (69, \"Tm\", \"Thulium\", 168.93, 3.0, 3, 1.90, 2.10, 1.759),\n (70, \"Yb\", \"Ytterbium\", 173.05, 3.0, 3, 1.87, 2.10, 1.76),\n (71, \"Lu\", \"Lutetium\", 174.97, 3.0, 3, 1.87, 2.10, 1.738),\n (72, \"Hf\", \"Hafnium\", 178.49, 4.0, 3, 1.75, 2.10, 1.59),\n (73, \"Ta\", \"Tantalum\", 180.95, 5.0, 3, 1.70, 2.10, 1.46),\n (74, \"W\", \"Tungsten\", 183.84, 4.0, 3, 1.62, 2.10, 1.39),\n (75, \"Re\", \"Rhenium\", 186.21, 4.0, 3, 1.51, 2.10, 1.37),\n (76, \"Os\", \"Osmium\", 190.23, 4.0, 3, 1.44, 2.10, 1.35),\n (77, \"Ir\", \"Iridium\", 192.22, 4.0, 3, 1.41, 2.10, 1.355),\n (78, \"Pt\", \"Platinum\", 195.08, 4.0, 3, 1.36, 1.75, 1.385),\n (79, \"Au\", \"Gold\", 196.97, 1.0, 3, 1.36, 1.66, 1.44),\n (80, \"Hg\", \"Mercury\", 200.59, 2.0, 3, 1.32, 1.55, 1.51),\n (81, \"Tl\", \"Thallium\", 204.38, 3.0, 3, 1.45, 1.96, 1.70),\n (82, \"Pb\", \"Lead\", 207.2, 4.0, 4, 1.46, 2.02, None),\n (83, \"Bi\", \"Bismuth\", 208.98, 3.0, 5, 1.48, 2.07, None),\n (84, \"Po\", \"Polonium\", 209.0, 2.0, 6, 1.40, 1.97, None),\n (85, \"At\", \"Astatine\", 210.0, 1.0, 7, 1.50, 2.02, None),\n (86, \"Rn\", \"Radon\", 222.0, 0.5, 8, 1.50, 2.20, None),\n (87, \"Fr\", \"Francium\", 223.0, 1.0, 1, 2.60, 3.48, None),\n (88, \"Ra\", \"Radium\", 226.0, 2.0, 2, 2.21, 2.83, None),\n (89, \"Ac\", \"Actinium\", 227.0, 3.0, 3, 2.15, 2.20, None),\n (90, \"Th\", \"Thorium\", 232.04, 4.0, 3, 2.06, 2.20, 1.79),\n (91, \"Pa\", \"Protactinium\", 231.04, 4.0, 3, 2.00, 2.20, 1.63),\n (92, \"U\", \"Uranium\", 238.03, 4.0, 3, 1.96, 2.20, 1.56),\n (93, \"Np\", \"Neptunium\", 237.0, 4.0, 3, 1.90, 2.20, 1.55),\n (94, \"Pu\", \"Plutonium\", 244.0, 4.0, 3, 1.87, 2.20, 1.59),\n (95, \"Am\", \"Americium\", 243.0, 4.0, 3, 1.80, 2.20, 1.73),\n (96, \"Cm\", \"Curium\", 247.0, 4.0, 3, 1.69, 2.20, 1.74),\n (97, \"Bk\", \"Berkelium\", 247.0, 4.0, 3, None, None, 1.70),\n (98, \"Cf\", \"Californium\", 251.0, 4.0, 3, None, None, 1.86),\n (99, \"Es\", \"Einsteinium\", 252.0, 4.0, 3, None, None, 1.86),\n (100, \"Fm\", \"Fermium\", 257.0, 4.0, 3, None, None, None),\n (101, \"Md\", \"Mendelevium\", 258.0, 4.0, 3, None, None, None),\n (102, \"No\", \"Nobelium\", 259.0, 4.0, 3, None, None, None),\n (103, \"Lr\", \"Lawrencium\", 262.0, 4.0, 3, None, None, None),\n (104, \"Rf\", \"Rutherfordium\", 267.0, 4.0, 3, None, None, None),\n (105, \"Db\", \"Dubnium\", 270.0, 2.0, 3, None, None, None),\n ]\n \"\"\"A list of atomic numbers, symbols, names, and other information, up\n to atomic number 105\"\"\"\n\n # scatter factor\n self.sf = [\n [0.493, 0.323, 0.140, 0.041, 10.511, 26.126, 3.142, 57.800, 0.003],\n [0.873, 0.631, 0.311, 0.178, 9.104, 3.357, 22.928, 0.982, 0.006],\n [1.128, 0.751, 0.618, 0.465, 3.955, 1.052, 85.391, 168.261, 0.038],\n [1.592, 1.128, 0.539, 0.703, 43.643, 1.862, 103.483, 0.542, 0.038],\n [2.055, 1.333, 1.098, 0.707, 23.219, 1.021, 60.350, 0.140, -0.193],\n [2.310, 1.020, 1.589, 0.865, 20.844, 10.208, 0.569, 51.651, 0.216],\n [12.213, 3.132, 2.013, 1.166, 0.006, 9.893, 28.997, 0.583, -11.529],\n [3.049, 2.287, 1.546, 0.867, 13.277, 5.701, 0.324, 32.909, 0.251],\n [3.539, 2.641, 1.517, 1.024, 10.283, 4.294, 0.262, 26.148, 0.278],\n [3.955, 3.112, 1.455, 1.125, 8.404, 3.426, 0.231, 21.718, 0.352],\n [4.763, 3.174, 1.267, 1.113, 3.285, 8.842, 0.314, 129.424, 0.676],\n [5.420, 2.174, 1.227, 2.307, 2.828, 79.261, 0.381, 7.194, 0.858],\n [6.420, 1.900, 1.594, 1.965, 3.039, 0.743, 31.547, 85.089, 1.115],\n [6.292, 3.035, 1.989, 1.541, 2.439, 32.334, 0.678, 81.694, 1.141],\n [6.435, 4.179, 1.780, 1.491, 1.907, 27.157, 0.526, 68.164, 1.115],\n [6.905, 5.203, 1.438, 1.586, 1.468, 22.215, 0.254, 56.172, 0.867],\n [11.460, 7.196, 6.256, 1.645, 0.010, 1.166, 18.519, 47.778, -9.557],\n [7.484, 6.772, 0.654, 1.644, 0.907, 14.841, 43.898, 33.393, 1.444],\n [8.219, 7.440, 1.052, 0.866, 12.795, 0.775, 213.187, 41.684, 1.423],\n [8.627, 7.387, 1.590, 1.021, 10.442, 0.660, 85.748, 178.437, 1.375],\n [9.189, 7.368, 1.641, 1.468, 9.021, 0.573, 136.108, 51.353, 1.333],\n [9.759, 7.356, 1.699, 1.902, 7.851, 0.500, 35.634, 116.105, 1.281],\n [10.297, 7.351, 2.070, 2.057, 6.866, 0.438, 26.894, 102.478, 1.220],\n [10.641, 7.354, 3.324, 1.492, 6.104, 0.392, 20.263, 98.740, 1.183],\n [11.282, 7.357, 3.019, 2.244, 5.341, 0.343, 17.867, 83.754, 1.090],\n [11.769, 7.357, 3.522, 2.305, 4.761, 0.307, 15.354, 76.881, 1.037],\n [12.284, 7.341, 4.003, 2.349, 4.279, 0.278, 13.536, 71.169, 1.012],\n [12.838, 7.292, 4.444, 2.380, 3.878, 0.257, 12.176, 66.342, 1.034],\n [13.338, 7.168, 5.616, 1.673, 3.583, 0.247, 11.397, 64.831, 1.191],\n [14.074, 7.032, 5.165, 2.410, 3.266, 0.233, 10.316, 58.710, 1.304],\n [15.235, 6.701, 4.359, 2.962, 3.067, 0.241, 10.781, 61.414, 1.719],\n [16.082, 6.375, 3.707, 3.683, 2.851, 0.252, 11.447, 54.763, 2.131],\n [16.672, 6.070, 3.431, 4.278, 2.635, 0.265, 12.948, 47.797, 2.531],\n [17.001, 5.820, 3.973, 4.354, 2.410, 0.273, 15.237, 43.816, 2.841],\n [17.179, 5.236, 5.638, 3.985, 2.172, 16.580, 0.261, 41.433, 2.956],\n [17.355, 6.729, 5.549, 3.537, 1.938, 16.562, 0.226, 39.397, 2.825],\n [17.178, 9.644, 5.140, 1.529, 1.789, 17.315, 0.275, 164.934, 3.487],\n [17.566, 9.818, 5.422, 2.669, 1.556, 14.099, 0.166, 132.376, 2.506],\n [17.776, 10.295, 5.726, 3.266, 1.403, 12.801, 0.261, 104.354, 1.912],\n [17.876, 10.948, 5.417, 3.657, 1.276, 11.916, 0.118, 87.663, 2.069],\n [17.614, 12.014, 4.042, 3.533, 1.189, 11.766, 0.205, 69.796, 3.756],\n [3.703, 17.236, 12.888, 3.743, 0.277, 1.096, 11.004, 61.658, 4.387],\n [19.130, 11.095, 4.649, 2.713, 0.864, 8.145, 21.571, 86.847, 5.404],\n [19.267, 12.918, 4.863, 1.568, 0.809, 8.435, 24.800, 94.293, 5.379],\n [19.296, 14.350, 4.734, 1.289, 0.752, 8.218, 25.875, 98.606, 5.328],\n [19.332, 15.502, 5.295, 0.606, 0.699, 7.989, 25.205, 76.899, 5.266],\n [19.281, 16.688, 4.805, 1.046, 0.645, 7.473, 24.660, 99.816, 5.179],\n [19.221, 17.644, 4.461, 1.603, 0.595, 6.909, 24.701, 87.482, 5.069],\n [19.162, 18.560, 4.295, 2.040, 0.548, 6.378, 25.850, 92.803, 4.939],\n [19.189, 19.101, 4.458, 2.466, 5.830, 0.503, 26.891, 83.957, 4.782],\n [19.642, 19.045, 5.037, 2.683, 5.303, 0.461, 27.907, 75.283, 4.591],\n [19.964, 19.014, 6.145, 2.524, 4.817, 0.421, 28.528, 70.840, 4.352],\n [20.147, 18.995, 7.514, 2.273, 4.347, 0.381, 27.766, 66.878, 4.071],\n [20.293, 19.030, 8.977, 1.990, 3.928, 0.344, 26.466, 64.266, 3.712],\n [20.389, 19.106, 10.662, 1.495, 3.569, 0.311, 24.388, 213.904, 3.335],\n [20.336, 19.297, 10.888, 2.696, 3.216, 0.276, 20.207, 167.202, 2.773],\n [20.578, 19.599, 11.373, 3.287, 2.948, 0.244, 18.773, 133.124, 2.147],\n [21.167, 19.770, 11.851, 3.330, 2.812, 0.227, 17.608, 127.113, 1.863],\n [22.044, 19.670, 12.386, 2.824, 2.774, 0.222, 16.767, 143.644, 2.058],\n [22.684, 19.685, 12.774, 2.851, 2.662, 0.211, 15.885, 137.903, 1.985],\n [23.340, 19.610, 13.123, 2.875, 2.563, 0.202, 15.101, 132.721, 2.029],\n [24.004, 19.426, 13.440, 2.896, 2.473, 0.196, 14.400, 128.007, 2.210],\n [24.627, 19.089, 13.760, 2.293, 2.388, 0.194, 13.755, 123.174, 2.575],\n [25.071, 19.080, 13.852, 3.545, 2.253, 0.182, 12.933, 101.398, 2.420],\n [25.898, 18.219, 14.317, 2.954, 2.243, 0.196, 12.665, 115.362, 3.583],\n [26.507, 17.638, 14.560, 2.966, 2.180, 0.202, 12.190, 111.874, 4.297],\n [26.905, 17.294, 14.558, 3.638, 2.071, 0.198, 11.441, 92.657, 4.568],\n [27.656, 16.428, 14.978, 2.982, 2.074, 0.224, 11.360, 105.703, 5.920],\n [28.182, 15.885, 15.154, 2.987, 2.029, 0.239, 10.998, 102.961, 6.756],\n [28.664, 15.434, 15.309, 2.990, 1.989, 0.257, 10.665, 100.417, 7.567],\n [28.948, 15.221, 15.100, 3.716, 1.902, 9.985, 0.261, 84.330, 7.976],\n [29.144, 15.173, 14.759, 4.300, 1.833, 9.600, 0.275, 72.029, 8.582],\n [29.202, 15.229, 14.514, 4.765, 1.773, 9.370, 0.296, 63.364, 9.244],\n [0.000, 0.000, 0.000, 0.000, 1.722, 9.231, 0.323, 57.725, 9.858],\n [28.762, 15.719, 14.556, 5.442, 1.672, 9.092, 0.350, 52.086, 10.472],\n [28.189, 16.155, 14.931, 5.676, 1.629, 8.979, 0.383, 48.165, 11.000],\n [27.305, 16.730, 15.611, 5.834, 1.593, 8.866, 0.418, 45.001, 11.472],\n [27.006, 17.764, 15.713, 5.784, 1.513, 8.812, 0.425, 38.610, 11.688],\n [16.882, 18.591, 25.558, 5.860, 0.461, 8.622, 1.483, 36.396, 12.066],\n [20.681, 19.042, 21.657, 5.968, 0.545, 8.448, 1.573, 38.325, 12.609],\n [27.545, 19.158, 15.538, 5.526, 0.655, 8.708, 1.963, 45.815, 13.175],\n [31.062, 13.064, 18.442, 5.970, 0.690, 2.358, 8.618, 47.258, 13.412],\n [33.369, 12.951, 16.588, 6.469, 0.704, 2.924, 8.794, 48.009, 13.578],\n [0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000],\n [0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000],\n [0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000],\n [0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000],\n [0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000, 0.000],\n [35.660, 23.103, 12.598, 4.087, 0.589, 3.652, 18.599, 117.020, 13.527],\n [35.564, 23.422, 12.747, 4.807, 0.563, 3.462, 17.831, 99.172, 13.431],\n [35.885, 23.295, 14.189, 4.173, 0.548, 3.415, 16.924, 105.251, 13.429],\n [0.000, 0.000, 0.000, 0.000, 0.530, 3.335, 16.143, 101.371, 13.393],\n [36.187, 23.596, 15.640, 4.186, 0.512, 3.254, 15.362, 97.491, 13.357],\n [36.526, 23.808, 16.771, 3.479, 0.499, 3.264, 14.946, 105.980, 13.381],\n ]\n \"\"\"A list of scatter factors for the elements\"\"\"\n\n self.z = None\n self.short_name = None\n self.long_name = None\n self.mass = None\n self.valence = None\n self.valence_electrons = None\n self.covalent_radius = None\n self.vdw_radius = None\n self.metallic_radius = None\n\n pos = None\n\n try:\n int(self.input)\n self.z = self.input\n\n for i, el in enumerate(self.elements_list):\n if el[0] == self.z:\n pos = i\n self.short_name = el[1]\n self.long_name = el[2]\n break\n except ValueError:\n self.short_name = self.input\n for i, el in enumerate(self.elements_list):\n if el[1] == self.short_name:\n pos = i\n self.z = el[0]\n self.long_name = el[2]\n break\n\n if not self.z:\n self.short_name = None\n self.long_name = self.input\n for i, el in enumerate(self.elements_list):\n if el[2] == self.long_name:\n pos = i\n self.z = el[0]\n self.short_name = el[1]\n break\n if not self.z:\n self.long_name = None\n\n if pos is not None:\n self.mass = self.elements_list[pos][3]\n self.valence = self.elements_list[pos][4]\n self.valence_electrons = self.elements_list[pos][5]\n self.covalent_radius = self.elements_list[pos][6]\n self.vdw_radius = self.elements_list[pos][7]\n self.metallic_radius = self.elements_list[pos][8]\n if pos < len(self.sf):\n self.scatter = self.sf[pos]\n\n def get_all(self, pos):\n \"\"\"\n Return all [pos] elements in the full element list\n\n Args:\n pos: the index of the elements to retrieve\n\n Returns:\n a list containing only the [pos] elements of self.elements_list\n \"\"\"\n els = []\n for el in self.elements_list:\n els.append(el[pos])\n return els\n\n def get_sf(self, pos):\n \"\"\"\n Get the scattering factor for an element.\n\n Args:\n pos: the atomic number of the element\n\n Returns:\n the scattering factor of the element\n \"\"\"\n els = []\n for el in self.sf:\n els.append(el[pos])\n return els\n\n def all_z(self):\n return self.get_all(0)\n\n def all_short_names(self):\n return self.get_all(1)\n\n def all_long_names(self):\n return self.get_all(2)\n\n def all_masses(self):\n return self.get_all(3)\n\n def all_valences(self):\n return self.get_all(4)\n\n def all_valence_electrons(self):\n return self.get_all(5)\n\n def all_covalent_radii(self):\n return self.get_all(6)\n\n def all_vdw_radii(self):\n return self.get_all(7)\n\n def all_metallic_radii(self):\n return self.get_all(8)\n\n def get_sf(self):\n return self.get_sf()\n\n def number_from_specie(specie):\n if type(specie) == int or type(specie) == float:\n if specie <= 105 and specie >= 1:\n index = int(specie)\n else:\n print(specie)\n print(\"Error: Atomic number must be between 1 and 105.\")\n return None\n elif type(specie) == str:\n try:\n el = Element(specie)\n index = el.z\n except:\n print(\"Error: Invalid atomic symbol, name, or number.\")\n return None\n elif type(specie) == Element:\n try:\n index = specie.z\n except:\n print(\"Error: Element object has no atomic number 'z'.\")\n return None\n else:\n try:\n el = Element(specie.number)\n index = el.z\n except:\n print(\"Error: Invalid atomic symbol, name, or number.\")\n return None\n return index\n\nif __name__ == \"__main__\":\n el = Element(\"Fe\")\n print(el.z)\n print(el.mass)\n print(el.covalent_radius)\n print(el.scatter)\n print(el.all_masses())\n" }, { "path": "pyxtal/database/k_subgroup.json", "content": 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['0,1/2,z','0,1/2,-z'],['0,0,z','0,0,-z'],['1/2,y,0','1/2,-y,0'],['0,y,0','0,-y,0'],['x,1/2,0','-x,1/2,0'],['x,0,0','-x,0,0'],['1/2,1/2,0'],['0,1/2,0'],['1/2,0,0'],['0,0,0']]\"\n38,\"[['x,y,z','x,-y,-z','-x+1/2,-y,z','-x+1/2,y,-z','-x,-y,-z','-x,y,z','x+1/2,y,-z','x+1/2,-y,z'],['0,y,z','0,-y,-z','1/2,-y,z','1/2,y,-z'],['x,1/2,0','-x+1/2,1/2,0','-x,1/2,0','x+1/2,1/2,0'],['x,0,0','-x+1/2,0,0','-x,0,0','x+1/2,0,0'],['1/4,1/2,z','1/4,1/2,-z','3/4,1/2,-z','3/4,1/2,z'],['1/4,0,z','1/4,0,-z','3/4,0,-z','3/4,0,z'],['1/4,y,0','1/4,-y,0','3/4,-y,0','3/4,y,0'],['1/4,1/2,0','3/4,1/2,0'],['1/4,0,0','3/4,0,0'],['0,1/2,0','1/2,1/2,0'],['0,0,0','1/2,0,0']]\"\n39,\"[['x,y,z','-x+1/2,-y+1/2,z','-x+1/2,y,-z','x,-y+1/2,-z','-x,-y,-z','x+1/2,y+1/2,-z','x+1/2,-y,z','-x,y+1/2,z'],['1/4,3/4,z','1/4,3/4,-z','3/4,1/4,-z','3/4,1/4,z'],['1/4,1/4,z','1/4,1/4,-z','3/4,3/4,-z','3/4,3/4,z'],['1/4,y,0','1/4,-y+1/2,0','3/4,-y,0','3/4,y+1/2,0'],['x,1/4,0','-x+1/2,1/4,0','-x,3/4,0','x+1/2,3/4,0'],['0,0,0','1/2,1/2,0','1/2,0,0','0,1/2,0'],['3/4,1/4,0','1/4,3/4,0'],['1/4,1/4,0','3/4,3/4,0']]\"\n40,\"[['x,y,z','-x+1/2,y,-z','-x,-y,z','x+1/2,-y,-z','-x,-y,-z','x+1/2,-y,z','x,y,-z','-x+1/2,y,z'],['1/4,y,z','1/4,y,-z','3/4,-y,z','3/4,-y,-z'],['x,y,0','-x+1/2,y,0','-x,-y,0','x+1/2,-y,0'],['0,1/2,z','1/2,1/2,-z','0,1/2,-z','1/2,1/2,z'],['0,0,z','1/2,0,-z','0,0,-z','1/2,0,z'],['1/4,y,0','3/4,-y,0'],['0,1/2,0','1/2,1/2,0'],['0,0,0','1/2,0,0']]\"\n41,\"[['x,y,z','-x+1/2,-y,z','-x,y,-z','x+1/2,-y,-z','-x,-y,-z','x+1/2,y,-z','x,-y,z','-x+1/2,y,z'],['1/4,y,z','1/4,-y,z','3/4,y,-z','3/4,-y,-z'],['x,1/2,z','-x+1/2,1/2,z','-x,1/2,-z','x+1/2,1/2,-z'],['x,0,z','-x+1/2,0,z','-x,0,-z','x+1/2,0,-z'],['0,y,0','1/2,-y,0','0,-y,0','1/2,y,0'],['1/4,1/2,z','3/4,1/2,-z'],['1/4,0,z','3/4,0,-z'],['0,1/2,0','1/2,1/2,0'],['0,0,0','1/2,0,0']]\"\n42,\"[['x,y,z','-x+1/2,y+1/2,-z','-x+1/2,-y+1/2,z','x,-y,-z','-x,-y,-z','x+1/2,-y+1/2,z','x+1/2,y+1/2,-z','-x,y,z'],['0,y,z','1/2,y+1/2,-z','1/2,-y+1/2,z','0,-y,-z'],['1/4,1/4,z','1/4,3/4,-z','3/4,3/4,-z','3/4,1/4,z'],['x,0,0','-x+1/2,1/2,0','-x,0,0','x+1/2,1/2,0'],['1/2,0,0','0,1/2,0'],['0,0,0','1/2,1/2,0']]\"\n43,\"[['x,y,z','x,-y+1/2,-z','-x+1/2,-y,z','-x+1/2,y+1/2,-z','-x,-y,-z','-x,y+1/2,z','x+1/2,y,-z','x+1/2,-y+1/2,z'],['x,1/4,0','-x+1/2,3/4,0','-x,3/4,0','x+1/2,1/4,0'],['1/4,0,z','1/4,1/2,-z','3/4,0,-z','3/4,1/2,z'],['0,0,0','0,1/2,0','1/2,0,0','1/2,1/2,0']]\"\n44,\"[['x,y,z','-x,-y,z','-x+1/2,y+1/2,-z','x+1/2,-y+1/2,-z','-x,-y,-z','x,y,-z','x+1/2,-y+1/2,z','-x+1/2,y+1/2,z'],['x,y,0','-x,-y,0','-x+1/2,y+1/2,0','x+1/2,-y+1/2,0'],['0,1/2,z','1/2,0,-z','0,1/2,-z','1/2,0,z'],['0,0,z','1/2,1/2,-z','0,0,-z','1/2,1/2,z'],['0,1/2,0','1/2,0,0'],['0,0,0','1/2,1/2,0']]\"\n45,\"[['x,y,z','-x,y+1/2,-z','x+1/2,-y+1/2,-z','-x+1/2,-y,z','-x,-y,-z','x,-y+1/2,z','-x+1/2,y+1/2,z','x+1/2,y,-z'],['x,1/4,z','-x,3/4,-z','x+1/2,1/4,-z','-x+1/2,3/4,z'],['1/4,0,z','3/4,1/2,-z','3/4,0,-z','1/4,1/2,z'],['0,0,0','0,1/2,0','1/2,1/2,0','1/2,0,0']]\"\n46,\"[['x,y,z','-x+1/2,-y+1/2,z','-x,y+1/2,-z','x+1/2,-y,-z','-x,-y,-z','x+1/2,y+1/2,-z','x,-y+1/2,z','-x+1/2,y,z'],['x,1/4,z','-x+1/2,1/4,z','-x,3/4,-z','x+1/2,3/4,-z'],['1/4,y,z','1/4,-y+1/2,z','3/4,y+1/2,-z','3/4,-y,-z'],['0,0,0','1/2,1/2,0','0,1/2,0','1/2,0,0'],['1/4,3/4,z','3/4,1/4,-z'],['1/4,1/4,z','3/4,3/4,-z']]\"\n47,\"[['x,y,z','-x,-y,z','-x,y,-z','x,-y,-z','-x,-y,-z','x,y,-z','x,-y,z','-x,y,z','x+1/2,y+1/2,z','-x+1/2,-y+1/2,z','-x+1/2,y+1/2,-z','x+1/2,-y+1/2,-z','-x+1/2,-y+1/2,-z','x+1/2,y+1/2,-z','x+1/2,-y+1/2,z','-x+1/2,y+1/2,z'],['x,y,0','-x,-y,0','-x,y,0','x,-y,0','x+1/2,y+1/2,0','-x+1/2,-y+1/2,0','-x+1/2,y+1/2,0','x+1/2,-y+1/2,0'],['x,0,z','-x,0,z','-x,0,-z','x,0,-z','x+1/2,1/2,z','-x+1/2,1/2,z','-x+1/2,1/2,-z','x+1/2,1/2,-z'],['0,y,z','0,-y,z','0,y,-z','0,-y,-z','1/2,y+1/2,z','1/2,-y+1/2,z','1/2,y+1/2,-z','1/2,-y+1/2,-z'],['1/4,1/4,z','3/4,1/4,-z','3/4,3/4,-z','1/4,3/4,z','3/4,3/4,z','5/4,3/4,-z','5/4,5/4,-z','3/4,5/4,z'],['0,1/2,z','0,1/2,-z','1/2,1,z','1/2,1,-z'],['0,0,z','0,0,-z','1/2,1/2,z','1/2,1/2,-z'],['0,y,0','0,-y,0','1/2,y+1/2,0','1/2,-y+1/2,0'],['x,0,0','-x,0,0','x+1/2,1/2,0','-x+1/2,1/2,0'],['1/4,1/4,0','3/4,1/4,0','3/4,3/4,0','5/4,3/4,0'],['1/2,0,0','1,1/2,0'],['0,0,0','1/2,1/2,0']]\"\n48,\"[['x,y,z','-x,-y+1/2,z','-x,y+1/2,-z','x,-y,-z','-x,-y,-z','x,y+1/2,-z','x,-y+1/2,z','-x,y,z','x+1/2,y+1/2,z','-x+1/2,-y+1,z','-x+1/2,y+1,-z','x+1/2,-y+1/2,-z','-x+1/2,-y+1/2,-z','x+1/2,y+1,-z','x+1/2,-y+1,z','-x+1/2,y+1/2,z'],['x,1/4,z','-x,1/4,z','-x,3/4,-z','x,3/4,-z','x+1/2,3/4,z','-x+1/2,3/4,z','-x+1/2,5/4,-z','x+1/2,5/4,-z'],['0,y,z','0,-y+1/2,z','0,y+1/2,-z','0,-y,-z','1/2,y+1/2,z','1/2,-y+1,z','1/2,y+1,-z','1/2,-y+1/2,-z'],['1/4,0,z','3/4,1/2,-z','3/4,0,-z','1/4,1/2,z','3/4,1/2,z','5/4,1,-z','5/4,1/2,-z','3/4,1,z'],['1/4,y,0','3/4,-y+1/2,0','3/4,-y,0','1/4,y+1/2,0','3/4,y+1/2,0','5/4,-y+1,0','5/4,-y+1/2,0','3/4,y+1,0'],['x,0,0','-x,1/2,0','-x,0,0','x,1/2,0','x+1/2,1/2,0','-x+1/2,1,0','-x+1/2,1/2,0','x+1/2,1,0'],['0,1/4,z','0,3/4,-z','1/2,3/4,z','1/2,5/4,-z'],['1/4,1/4,0','3/4,1/4,0','3/4,3/4,0','5/4,3/4,0'],['0,0,0','0,1/2,0','1/2,1/2,0','1/2,1,0'],['1/4,0,0','3/4,0,0','3/4,1/2,0','5/4,1/2,0']]\"\n49,\"[['x,y,z','-x,-y,z','-y,x,z','y,-x,z'],['0,1/2,z','1/2,0,z'],['1/2,1/2,z'],['0,0,z']]\"\n50,\"[['x,y,z','-x,-y,z','y,-x,-z','-y,x,-z'],['0,1/2,z','1/2,0,-z'],['1/2,1/2,z','1/2,1/2,-z'],['0,0,z','0,0,-z'],['1/2,1/2,0'],['0,0,0']]\"\n51,\"[['x,y,z','-x,-y,z','-y,x,z','y,-x,z','-x,-y,-z','x,y,-z','y,-x,-z','-y,x,-z'],['x,y,0','-x,-y,0','-y,x,0','y,-x,0'],['0,1/2,z','1/2,0,z','0,1/2,-z','1/2,0,-z'],['1/2,1/2,z','1/2,1/2,-z'],['0,0,z','0,0,-z'],['0,1/2,0','1/2,0,0'],['1/2,1/2,0'],['0,0,0']]\"\n52,\"[['x,y,z','-x+1/2,-y+1/2,z','-y+1/2,x,z','y,-x+1/2,z','-x,-y,-z','x+1/2,y+1/2,-z','y+1/2,-x,-z','-y,x+1/2,-z'],['1/4,3/4,z','3/4,1/4,z','3/4,1/4,-z','1/4,3/4,-z'],['0,0,0','1/2,1/2,0','1/2,0,0','0,1/2,0'],['1/4,1/4,z','3/4,3/4,-z'],['1/4,3/4,0','3/4,1/4,0']]\"\n53,\"[['x,y,z','-x,-y,z','-y,x,z','y,-x,z','-x,y,-z','x,-y,-z','y,x,-z','-y,-x,-z'],['x,1/2,0','-x,1/2,0','1/2,x,0','1/2,-x,0'],['x,0,0','-x,0,0','0,x,0','0,-x,0'],['x,x,0','-x,-x,0','-x,x,0','x,-x,0'],['0,1/2,z','1/2,0,z','0,1/2,-z','1/2,0,-z'],['1/2,1/2,z','1/2,1/2,-z'],['0,0,z','0,0,-z'],['1/2,0,0','0,1/2,0'],['1/2,1/2,0'],['0,0,0']]\"\n54,\"[['x,y,z','-x,-y,z','-y,x,z','y,-x,z','-x+1/2,y+1/2,-z','x+1/2,-y+1/2,-z','y+1/2,x+1/2,-z','-y+1/2,-x+1/2,-z'],['x,x+1/2,0','-x,-x+1/2,0','-x+1/2,x,0','x+1/2,-x,0'],['0,1/2,z','1/2,0,z','1/2,0,-z','0,1/2,-z'],['0,0,z','1/2,1/2,-z'],['0,1/2,0','1/2,0,0']]\"\n55,\"[['x,y,z','-x,-y,z','-y,x,z','y,-x,z','x,-y,z','-x,y,z','-y,-x,z','y,x,z'],['x,1/2,z','-x,1/2,z','1/2,x,z','1/2,-x,z'],['x,0,z','-x,0,z','0,x,z','0,-x,z'],['x,x,z','-x,-x,z','-x,x,z','x,-x,z'],['1/2,0,z','0,1/2,z'],['1/2,1/2,z'],['0,0,z']]\"\n56,\"[['x,y,z','-x,-y,z','-y,x,z','y,-x,z','x+1/2,-y+1/2,z','-x+1/2,y+1/2,z','-y+1/2,-x+1/2,z','y+1/2,x+1/2,z'],['x,x+1/2,z','-x,-x+1/2,z','-x+1/2,x,z','x+1/2,-x,z'],['1/2,0,z','0,1/2,z'],['0,0,z','1/2,1/2,z']]\"\n57,\"[['x,y,z','-x,-y,z','y,-x,-z','-y,x,-z','-x,y,-z','x,-y,-z','-y,-x,z','y,x,z'],['x,x,z','-x,-x,z','x,-x,-z','-x,x,-z'],['0,1/2,z','1/2,0,-z','0,1/2,-z','1/2,0,z'],['x,1/2,0','-x,1/2,0','1/2,-x,0','1/2,x,0'],['x,0,0','-x,0,0','0,-x,0','0,x,0'],['1/2,1/2,z','1/2,1/2,-z'],['0,0,z','0,0,-z'],['1/2,0,0','0,1/2,0'],['1/2,1/2,0'],['0,0,0']]\"\n58,\"[['x,y,z','-x,-y,z','y,-x,-z','-y,x,-z','-x+1/2,y+1/2,-z','x+1/2,-y+1/2,-z','-y+1/2,-x+1/2,z','y+1/2,x+1/2,z'],['x,x+1/2,z','-x,-x+1/2,z','x+1/2,-x,-z','-x+1/2,x,-z'],['0,0,z','0,0,-z','1/2,1/2,-z','1/2,1/2,z'],['0,1/2,z','1/2,0,-z'],['0,0,0','1/2,1/2,0']]\"\n59,\"[['x,y,z','-x,-y,z','y,-x,-z','-y,x,-z','x,-y,z','-x,y,z','y,x,-z','-y,-x,-z'],['x,1/2,z','-x,1/2,z','1/2,-x,-z','1/2,x,-z'],['x,0,z','-x,0,z','0,-x,-z','0,x,-z'],['x,x,0','-x,-x,0','x,-x,0','-x,x,0'],['0,1/2,z','1/2,0,-z'],['1/2,1/2,z','1/2,1/2,-z'],['0,0,z','0,0,-z'],['1/2,1/2,0'],['0,0,0']]\"\n60,\"[['x,y,z','-x,-y,z','y,-x,-z','-y,x,-z','x+1/2,-y+1/2,z','-x+1/2,y+1/2,z','y+1/2,x+1/2,-z','-y+1/2,-x+1/2,-z'],['x,x+1/2,0','-x,-x+1/2,0','x+1/2,-x,0','-x+1/2,x,0'],['0,1/2,z','1/2,0,-z','1/2,0,z','0,1/2,-z'],['0,0,z','0,0,-z','1/2,1/2,z','1/2,1/2,-z'],['0,1/2,0','1/2,0,0'],['0,0,0','1/2,1/2,0']]\"\n61,\"[['x,y,z','-x,-y,z','-y,x,z','y,-x,z','-x,y,-z','x,-y,-z','y,x,-z','-y,-x,-z','-x,-y,-z','x,y,-z','y,-x,-z','-y,x,-z','x,-y,z','-x,y,z','-y,-x,z','y,x,z'],['x,1/2,z','-x,1/2,z','1/2,x,z','1/2,-x,z','-x,1/2,-z','x,1/2,-z','1/2,x,-z','1/2,-x,-z'],['x,0,z','-x,0,z','0,x,z','0,-x,z','-x,0,-z','x,0,-z','0,x,-z','0,-x,-z'],['x,x,z','-x,-x,z','-x,x,z','x,-x,z','-x,x,-z','x,-x,-z','x,x,-z','-x,-x,-z'],['x,y,0','-x,-y,0','-y,x,0','y,-x,0','-x,y,0','x,-y,0','y,x,0','-y,-x,0'],['x,1/2,0','-x,1/2,0','1/2,x,0','1/2,-x,0'],['x,0,0','-x,0,0','0,x,0','0,-x,0'],['x,x,0','-x,-x,0','-x,x,0','x,-x,0'],['0,1/2,z','1/2,0,z','0,1/2,-z','1/2,0,-z'],['1/2,1/2,z','1/2,1/2,-z'],['0,0,z','0,0,-z'],['0,1/2,0','1/2,0,0'],['1/2,1/2,0'],['0,0,0']]\"\n62,\"[['x,y,z','-x+1/2,-y+1/2,z','-y+1/2,x,z','y,-x+1/2,z','-x+1/2,y,-z','x,-y+1/2,-z','y,x,-z','-y+1/2,-x+1/2,-z','-x,-y,-z','x+1/2,y+1/2,-z','y+1/2,-x,-z','-y,x+1/2,-z','x+1/2,-y,z','-x,y+1/2,z','-y,-x,z','y+1/2,x+1/2,z'],['x,-x,z','-x+1/2,x+1/2,z','x+1/2,x,z','-x,-x+1/2,z','-x+1/2,-x,-z','x,x+1/2,-z','-x,x,-z','x+1/2,-x+1/2,-z'],['x,1/4,0','-x+1/2,1/4,0','1/4,x,0','1/4,-x+1/2,0','-x,3/4,0','x+1/2,3/4,0','3/4,-x,0','3/4,x+1/2,0'],['x,x,0','-x+1/2,-x+1/2,0','-x+1/2,x,0','x,-x+1/2,0','-x,-x,0','x+1/2,x+1/2,0','x+1/2,-x,0','-x,x+1/2,0'],['3/4,1/4,z','1/4,3/4,z','3/4,1/4,-z','1/4,3/4,-z'],['1/4,1/4,z','1/4,1/4,-z','3/4,3/4,-z','3/4,3/4,z'],['0,0,0','1/2,1/2,0','1/2,0,0','0,1/2,0'],['3/4,1/4,0','1/4,3/4,0'],['1/4,1/4,0','3/4,3/4,0']]\"\n63,\"[['x,y,z','-x,-y,z','-y,x,z','y,-x,z','-x+1/2,y+1/2,-z','x+1/2,-y+1/2,-z','y+1/2,x+1/2,-z','-y+1/2,-x+1/2,-z','-x,-y,-z','x,y,-z','y,-x,-z','-y,x,-z','x+1/2,-y+1/2,z','-x+1/2,y+1/2,z','-y+1/2,-x+1/2,z','y+1/2,x+1/2,z'],['x,x+1/2,z','-x,-x+1/2,z','-x+1/2,x,z','x+1/2,-x,z','-x+1/2,x,-z','x+1/2,-x,-z','x,x+1/2,-z','-x,-x+1/2,-z'],['x,y,0','-x,-y,0','-y,x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"\n80,\"[['x,y,z','-y,x-y,z','-x+y,-x,z','-x,-y,z','y,-x+y,z','x-y,x,z','y,x,-z','x-y,-y,-z','-x,-x+y,-z','-y,-x,-z','-x+y,y,-z','x,x-y,-z','-x,-y,-z','y,-x+y,-z','x-y,x,-z','x,y,-z','-y,x-y,-z','-x+y,-x,-z','-y,-x,z','-x+y,y,z','x,x-y,z','y,x,z','x-y,-y,z','-x,-x+y,z'],['x,y,0','-y,x-y,0','-x+y,-x,0','-x,-y,0','y,-x+y,0','x-y,x,0','y,x,0','x-y,-y,0','-x,-x+y,0','-y,-x,0','-x+y,y,0','x,x-y,0'],['x,2x,z','-2x,-x,z','x,-x,z','-x,-2x,z','2x,x,z','-x,x,z','2x,x,-z','-x,-2x,-z','-x,x,-z','-2x,-x,-z','x,2x,-z','x,-x,-z'],['x,0,z','0,x,z','-x,-x,z','-x,0,z','0,-x,z','x,x,z','0,x,-z','x,0,-z','-x,-x,-z','0,-x,-z','-x,0,-z','x,x,-z'],['x,2x,0','-2x,-x,0','x,-x,0','-x,-2x,0','2x,x,0','-x,x,0'],['x,0,0','0,x,0','-x,-x,0','-x,0,0','0,-x,0','x,x,0'],['1/2,0,z','0,1/2,z','1/2,1/2,z','0,1/2,-z','1/2,0,-z','1/2,1/2,-z'],['1/3,2/3,z','2/3,1/3,z','2/3,1/3,-z','1/3,2/3,-z'],['1/2,0,0','0,1/2,0','1/2,1/2,0'],['0,0,z','0,0,-z'],['1/3,2/3,0','2/3,1/3,0'],['0,0,0']]\"\n\n" }, { "path": "pyxtal/database/layer_generators.csv", "content": ",0\n0,\n1,\"[['x, y, z']]\"\n2,\"[['x, y, z', '-x, -y, -z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n3,\"[['x, y, z', '-x, -y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n4,\"[['x, y, z', 'x, y, -z'], ['x, y, z']]\"\n5,\"[['x, y, z', 'x+1/2, y, -z']]\"\n6,\"[['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n7,\"[['x, y, z', '-x+1/2, -y, z', '-x, -y, -z', 'x+1/2, y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1/2, -y, z'], ['x, y, z', '-x+1/2, -y, z']]\"\n8,\"[['x, y, z', 'x, -y, -z'], ['x, y, z'], ['x, y, z']]\"\n9,\"[['x, y, z', 'x+1/2, -y, -z']]\"\n10,\"[['x, y, z', 'x, -y, -z', 'x+1/2, y+1/2, z', 'x+1/2, -y+1/2, -z'], ['x, y, z', 'x+1/2, y+1/2, z']]\"\n11,\"[['x, y, z', '-x, y, z'], ['x, y, z'], ['x, y, z']]\"\n12,\"[['x, y, z', '-x, y+1/2, z']]\"\n13,\"[['x, y, z', '-x, y, z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z']]\"\n14,\"[['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n15,\"[['x, y, z', 'x+1/2, -y, -z', '-x, -y, -z', '-x+1/2, y, z'], ['x, y, z', 'x+1/2, -y, -z'], ['x, y, z', 'x+1/2, -y, -z'], ['x, y, z', 'x+1/2, -y, -z']]\"\n16,\"[['x, y, z', 'x, -y+1/2, -z', '-x, -y, -z', '-x, y+1/2, z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', 'x, -y+1/2, -z'], ['x, y, z', 'x, -y+1/2, -z']]\"\n17,\"[['x, y, z', 'x+1/2, -y+1/2, -z', '-x, -y, -z', '-x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, -y+1/2, -z'], ['x, y, z', 'x+1/2, -y+1/2, -z']]\"\n18,\"[['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z', 'x+1/2, y+1/2, z', 'x+1/2, -y+1/2, -z', '-x+1/2, -y+1/2, -z', '-x+1/2, y+1/2, z'], ['x, y, z', 'x, -y, -z', 'x+1/2, y+1/2, z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z'], ['x, y, z', 'x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z']]\"\n19,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n20,\"[['x, y, z', 'x+1/2, -y, -z', '-x+1/2, y, -z', '-x, -y, z'], ['x, y, z', 'x+1/2, -y, -z'], ['x, y, z', 'x+1/2, -y, -z'], ['x, y, z', 'x+1/2, -y, -z']]\"\n21,\"[['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, y+1/2, -z']]\"\n22,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z']]\"\n23,\"[['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n24,\"[['x, y, z', '-x, -y, z', 'x+1/2, -y, z', '-x+1/2, y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', 'x+1/2, -y, z'], ['x, y, z', 'x+1/2, -y, z']]\"\n25,\"[['x, y, z', '-x, -y, z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, -y+1/2, z'], ['x, y, z', 'x+1/2, -y+1/2, z']]\"\n26,\"[['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', 'x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z']]\"\n27,\"[['x, y, z', '-x, y, -z', '-x, y, z', 'x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z'], ['x, y, z']]\"\n28,\"[['x, y, z', '-x, y+1/2, -z', 'x, y+1/2, -z', '-x, y, z'], ['x, y, z', '-x, y+1/2, -z'], ['x, y, z', '-x, y+1/2, -z']]\"\n29,\"[['x, y, z', '-x, y+1/2, -z', '-x, y+1/2, z', 'x, y, -z'], ['x, y, z', '-x, y+1/2, -z']]\"\n30,\"[['x, y, z', '-x, y, -z', 'x, y+1/2, -z', '-x, y+1/2, z'], ['x, y, z', 'x, y+1/2, -z'], ['x, y, z', 'x, y+1/2, -z']]\"\n31,\"[['x, y, z', '-x, y, -z', 'x+1/2, y, -z', '-x+1/2, y, z'], ['x, y, z', '-x, y, -z'], ['x, y, z', 'x+1/2, y, -z']]\"\n32,\"[['x, y, z', '-x+1/2, y+1/2, -z', 'x+1/2, y+1/2, -z', '-x, y, z'], ['x, y, z', '-x+1/2, y+1/2, -z']]\"\n33,\"[['x, y, z', '-x, y+1/2, -z', 'x+1/2, y, -z', '-x+1/2, y+1/2, z']]\"\n34,\"[['x, y, z', '-x, y, -z', '-x+1/2, y+1/2, z', 'x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, y+1/2, z']]\"\n35,\"[['x, y, z', '-x, y, -z', '-x, y, z', 'x, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z', '-x+1/2, y+1/2, z', 'x+1/2, y+1/2, -z'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z'], ['x, y, z', 'x+1/2, y+1/2, z']]\"\n36,\"[['x, y, z', '-x, y, -z', '-x+1/2, y, z', 'x+1/2, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z', '-x+1, y+1/2, z', 'x+1, y+1/2, -z'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, y, z', 'x+1/2, y+1/2, z', '-x+1, y+1/2, z']]\"\n37,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n38,\"[['x, y, z', 'x, -y, -z', '-x+1/2, -y, z', '-x+1/2, y, -z', '-x, -y, -z', '-x, y, z', 'x+1/2, y, -z', 'x+1/2, -y, z'], ['x, y, z', 'x, -y, -z', '-x+1/2, -y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+1/2, -y, z', '-x, -y, -z', 'x+1/2, y, -z'], ['x, y, z', '-x+1/2, -y, z', '-x, -y, -z', 'x+1/2, y, -z'], ['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z'], ['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z'], ['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1/2, -y, z'], ['x, y, z', '-x+1/2, -y, z']]\"\n39,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z', 'x, -y+1/2, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y, z', '-x, y+1/2, z'], ['x, y, z', '-x+1/2, y, -z', '-x, -y, -z', 'x+1/2, -y, z'], ['x, y, z', '-x+1/2, y, -z', '-x, -y, -z', 'x+1/2, -y, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z', 'x, -y+1/2, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z']]\"\n40,\"[['x, y, z', '-x+1/2, y, -z', '-x, -y, z', 'x+1/2, -y, -z', '-x, -y, -z', 'x+1/2, -y, z', 'x, y, -z', '-x+1/2, y, z'], ['x, y, z', '-x+1/2, y, -z', '-x, -y, z', 'x+1/2, -y, -z'], ['x, y, z', '-x+1/2, y, -z', '-x, -y, z', 'x+1/2, -y, -z'], ['x, y, z', '-x+1/2, y, -z', '-x, -y, -z', 'x+1/2, -y, z'], ['x, y, z', '-x+1/2, y, -z', '-x, -y, -z', 'x+1/2, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+1/2, y, -z']]\"\n41,\"[['x, y, z', '-x+1/2, -y, z', '-x, y, -z', 'x+1/2, -y, -z', '-x, -y, -z', 'x+1/2, y, -z', 'x, -y, z', '-x+1/2, y, z'], ['x, y, z', '-x+1/2, -y, z', '-x, y, -z', 'x+1/2, -y, -z'], ['x, y, z', '-x+1/2, -y, z', '-x, y, -z', 'x+1/2, -y, -z'], ['x, y, z', '-x+1/2, -y, z', '-x, y, -z', 'x+1/2, -y, -z'], ['x, y, z', '-x+1/2, -y, z', '-x, -y, -z', 'x+1/2, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x+1/2, -y, z'], ['x, y, z', '-x+1/2, -y, z']]\"\n42,\"[['x, y, z', '-x+1/2, y+1/2, -z', '-x+1/2, -y+1/2, z', 'x, -y, -z', '-x, -y, -z', 'x+1/2, -y+1/2, z', 'x+1/2, y+1/2, -z', '-x, y, z'], ['x, y, z', '-x+1/2, y+1/2, -z', '-x+1/2, -y+1/2, z', 'x, -y, -z'], ['x, y, z', '-x+1/2, y+1/2, -z', '-x, -y, -z', 'x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, y+1/2, -z', '-x, -y, -z', 'x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, y+1/2, -z']]\"\n43,\"[['x, y, z', 'x, -y+1/2, -z', '-x+1/2, -y, z', '-x+1/2, y+1/2, -z', '-x, -y, -z', '-x, y+1/2, z', 'x+1/2, y, -z', 'x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y, z', '-x, -y, -z', 'x+1/2, y, -z'], ['x, y, z', 'x, -y+1/2, -z', '-x, -y, -z', '-x, y+1/2, z'], ['x, y, z', 'x, -y+1/2, -z', '-x+1/2, -y, z', '-x+1/2, y+1/2, -z']]\"\n44,\"[['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x, y, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x+1/2, y+1/2, -z', '-x, -y, -z', 'x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, y+1/2, -z', '-x, -y, -z', 'x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, y+1/2, -z']]\"\n45,\"[['x, y, z', '-x, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-x+1/2, -y, z', '-x, -y, -z', 'x, -y+1/2, z', '-x+1/2, y+1/2, z', 'x+1/2, y, -z'], ['x, y, z', '-x, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-x+1/2, -y, z'], ['x, y, z', '-x, y+1/2, -z', '-x, -y, -z', 'x, -y+1/2, z'], ['x, y, z', '-x, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-x+1/2, -y, z']]\"\n46,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-x, y+1/2, -z', 'x+1/2, -y, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'x, -y+1/2, z', '-x+1/2, y, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, y+1/2, -z', 'x+1/2, -y, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, y+1/2, -z', 'x+1/2, -y, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, y+1/2, -z', 'x+1/2, -y, -z'], ['x, y, z', '-x, y+1/2, -z'], ['x, y, z', '-x, y+1/2, -z']]\"\n47,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', 'x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z']]\"\n48,\"[['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z', '-x, -y, -z', 'x, y+1/2, -z', 'x, -y+1/2, z', '-x, y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z', '-x+1/2, y+1, -z', 'x+1/2, -y+1/2, -z', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1, -z', 'x+1/2, -y+1, z', '-x+1/2, y+1/2, z'], ['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z', '-x+1/2, y+1, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z', '-x+1/2, y+1, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z', '-x, -y, -z', 'x, y+1/2, -z', 'x, -y+1/2, z', '-x, y, z'], ['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z', '-x, -y, -z', 'x, y+1/2, -z', 'x, -y+1/2, z', '-x, y, z'], ['x, y, z', '-x, -y+1/2, z', '-x, -y, -z', 'x, y+1/2, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1, -z'], ['x, y, z', '-x, y+1/2, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1, -z'], ['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z'], ['x, y, z', '-x, -y+1/2, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z'], ['x, y, z', '-x, -y+1/2, z', '-x, -y, -z', 'x, y+1/2, -z']]\"\n49,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-y, x, z'], ['x, y, z'], ['x, y, z']]\"\n50,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z'], ['x, y, z']]\"\n51,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-y, x, z', '-x, -y, -z', 'y, -x, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-y, x, z'], ['x, y, z'], ['x, y, z']]\"\n52,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z'], ['x, y, z', '-y+1/2, x, z', '-x, -y, -z', 'y+1/2, -x, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-y+1/2, x, z']]\"\n53,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-y, x, z', '-x, y, -z', 'y, x, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-y, x, z'], ['x, y, z'], ['x, y, z']]\"\n54,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'y+1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-y, x, z', '-x+1/2, y+1/2, -z', 'y+1/2, x+1/2, -z'], ['x, y, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-y, x, z']]\"\n55,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-y, x, z'], ['x, y, z'], ['x, y, z']]\"\n56,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', '-y+1/2, -x+1/2, z', 'y+1/2, x+1/2, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-y, x, z'], ['x, y, z', 'x+1/2, -y+1/2, z']]\"\n57,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x, y, -z', 'x, -y, -z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', 'y, -x, -z', '-x, y, -z', '-y, -x, z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z'], ['x, y, z']]\"\n58,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-y+1/2, -x+1/2, z', 'y+1/2, x+1/2, z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', 'y, -x, -z', '-x+1/2, y+1/2, -z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', '-x+1/2, y+1/2, -z']]\"\n59,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z'], ['x, y, z']]\"\n60,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', 'y+1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', 'y, -x, -z', 'x+1/2, -y+1/2, z', 'y+1/2, x+1/2, -z'], ['x, y, z', 'y, -x, -z', 'x+1/2, -y+1/2, z', 'y+1/2, x+1/2, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'x+1/2, -y+1/2, z']]\"\n61,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-y, x, z', '-x, y, -z', 'y, x, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-y, x, z'], ['x, y, z'], ['x, y, z']]\"\n62,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x+1/2, y, -z', 'x, -y+1/2, -z', 'y, x, -z', '-y+1/2, -x+1/2, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z', 'x+1/2, -y, z', '-x, y+1/2, z', '-y, -x, z', 'y+1/2, x+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x+1/2, y, -z', 'x, -y+1/2, -z', 'y, x, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z'], ['x, y, z', '-y+1/2, x, z', '-x+1/2, y, -z', 'y, x, -z'], ['x, y, z', '-x+1/2, y, -z', '-x, -y, -z', 'x+1/2, -y, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-y+1/2, x, z'], ['x, y, z', '-x, -y, -z']]\"\n63,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'y+1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', '-y+1/2, -x+1/2, z', 'y+1/2, x+1/2, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'y+1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'y+1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-y, x, z', '-x+1/2, y+1/2, -z', 'y+1/2, x+1/2, -z'], ['x, y, z', '-x+1/2, y+1/2, -z', '-x, -y, -z', 'x+1/2, -y+1/2, z'], ['x, y, z', '-y, x, z'], ['x, y, z', '-x+1/2, y+1/2, -z']]\"\n64,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, y+1/2, -z', 'x+1/2, -y, -z', 'y+1/2, x+1/2, -z', '-y, -x, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z', 'x, -y+1/2, z', '-x+1/2, y, z', '-y+1/2, -x+1/2, z', 'y, x, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, y+1/2, -z', 'x+1/2, -y, -z', 'y+1/2, x+1/2, -z', '-y, -x, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, y+1/2, -z', 'x+1/2, -y, -z', 'y+1/2, x+1/2, -z', '-y, -x, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z'], ['x, y, z', '-y+1/2, x, z', '-x, y+1/2, -z', 'y+1/2, x+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-x, y+1/2, -z'], ['x, y, z', '-y+1/2, x, z']]\"\n65,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n66,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z']]\"\n67,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n68,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z']]\"\n69,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n70,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'y, x, z'], ['x, y, z']]\"\n71,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, -x, -z', '-x, -y, -z', 'y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z']]\"\n72,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z']]\"\n73,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-x, -y, z'], ['x, y, z']]\"\n74,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n75,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z']]\"\n76,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z'], ['x, y, z', '-x, -y, z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z']]\"\n77,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-x, -y, z'], ['x, y, z']]\"\n78,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n79,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', 'x, y, -z', 'y, x, -z', 'y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z']]\"\n80,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z'], ['x, y, z', '-x, -y, z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z']]\"\n" }, { "path": "pyxtal/database/layer_symmetry.csv", "content": ",0\n0,\n1,\"[[['x, y, z']]]\"\n2,\"[[['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, -y+1, -z']], [['x, y, z', '-x+1, -y, -z']], [['x, y, z', '-x, -y+1, -z']], [['x, y, z', '-x, -y, -z']]]\"\n3,\"[[['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x, -y+1, z']], [['x, y, z', '-x, -y, z']]]\"\n4,\"[[['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z']]]\"\n5,\"[[['x, y, z'], ['x, y, z']]]\"\n6,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z', 'x, y, -z']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z']], [['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z']], [['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z']]]\"\n7,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, -y+1, z'], ['x, y, z', '-x+3/2, -y+1, z']], [['x, y, z', '-x+1/2, -y, z'], ['x, y, z', '-x+3/2, -y, z']], [['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y+1, -z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y, -z']]]\"\n8,\"[[['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1, -z']], [['x, y, z', 'x, -y, -z']]]\"\n9,\"[[['x, y, z'], ['x, y, z']]]\"\n10,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y+1, -z']]]\"\n11,\"[[['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, y, z']], [['x, y, z', '-x, y, z']]]\"\n12,\"[[['x, y, z'], ['x, y, z']]]\"\n13,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z']]]\"\n14,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z']], [['x, y, z', 'x, -y+1, -z', '-x+1, -y+1, -z', '-x+1, y, z']], [['x, y, z', 'x, -y+1, -z', '-x, -y+1, -z', '-x, y, z']], [['x, y, z', 'x, -y, -z', '-x+1, -y, -z', '-x+1, y, z']], [['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z']]]\"\n15,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, y, z']], [['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y+1, -z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y, -z']]]\"\n16,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, -z'], ['x, y, z', 'x, -y+3/2, -z']], [['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x+1, -y+1, -z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y+1, -z']]]\"\n17,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y, -z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y+1, -z']]]\"\n18,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z']], [['x, y, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', '-x+1/2, -y+3/2, -z'], ['x, y, z', '-x+3/2, -y+3/2, -z'], ['x, y, z', '-x+3/2, -y+5/2, -z']], [['x, y, z', 'x, -y, -z', '-x+1, -y, -z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, -z', '-x+2, -y+1, -z', '-x+2, y, z']], [['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z'], ['x, y, z', 'x, -y+1, -z', '-x+1, -y+1, -z', '-x+1, y, z']]]\"\n19,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z']], [['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z']]]\"\n20,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+3/2, y, -z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y, z']]]\"\n21,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z']]]\"\n22,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+5/2, -y+3/2, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+1, -y+2, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z']], [['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z', 'x, -y+2, -z']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z']]]\"\n23,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z']], [['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z']]]\"\n24,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y, z']]]\"\n25,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z']]]\"\n26,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+5/2, z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']]]\"\n27,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', '-x+1, y, -z', '-x+1, y, z', 'x, y, -z']], [['x, y, z', '-x, y, -z', '-x, y, z', 'x, y, -z']]]\"\n28,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']]]\"\n29,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']]]\"\n30,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z']]]\"\n31,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, y, z']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x+1, y, -z']]]\"\n32,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z']]]\"\n33,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]]\"\n34,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x+1, y, -z']]]\"\n35,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x, y, -z', '-x, y, z', 'x, y, -z'], ['x, y, z', '-x+1, y, -z', '-x+1, y, z', 'x, y, -z']]]\"\n36,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, y, z'], ['x, y, z', '-x+3/2, y, z'], ['x, y, z', '-x+5/2, y, z']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+2, y, -z']]]\"\n37,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z']], [['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z']], [['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z']], [['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z']], [['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', '-x+1, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z', '-x, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x, y, z']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z', '-x+1, -y, -z', 'x, y, -z', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z']]]\"\n38,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z']], [['x, y, z', '-x+1/2, -y+1, z'], ['x, y, z', '-x+1/2, -y+1, z'], ['x, y, z', '-x+3/2, -y+1, z'], ['x, y, z', '-x+3/2, -y+1, z']], [['x, y, z', '-x+1/2, -y, z'], ['x, y, z', '-x+1/2, -y, z'], ['x, y, z', '-x+3/2, -y, z'], ['x, y, z', '-x+3/2, -y, z']], [['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x+3/2, y, -z']], [['x, y, z', 'x, -y+1, -z', '-x+1/2, -y+1, z', '-x+1/2, y, -z'], ['x, y, z', 'x, -y+1, -z', '-x+3/2, -y+1, z', '-x+3/2, y, -z']], [['x, y, z', 'x, -y, -z', '-x+1/2, -y, z', '-x+1/2, y, -z'], ['x, y, z', 'x, -y, -z', '-x+3/2, -y, z', '-x+3/2, y, -z']], [['x, y, z', 'x, -y+1, -z', '-x, -y+1, -z', '-x, y, z'], ['x, y, z', 'x, -y+1, -z', '-x+1, -y+1, -z', '-x+1, y, z']], [['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z'], ['x, y, z', 'x, -y, -z', '-x+1, -y, -z', '-x+1, y, z']]]\"\n39,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z']], [['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x+3/2, y, -z']], [['x, y, z', 'x, -y+1/2, -z'], ['x, y, z', 'x, -y+1/2, -z'], ['x, y, z', 'x, -y+3/2, -z'], ['x, y, z', 'x, -y+3/2, -z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y+1, -z']], [['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z', 'x, -y+1/2, -z'], ['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z', 'x, -y+3/2, -z']], [['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z', 'x, -y+1/2, -z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-x+3/2, y, -z', 'x, -y+3/2, -z']]]\"\n40,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, y, z'], ['x, y, z', '-x+3/2, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x+1/2, y, -z', 'x, y, -z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, y, -z', 'x, y, -z', '-x+3/2, y, z']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z', 'x, y, -z']], [['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z']]]\"\n41,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, y, z'], ['x, y, z', '-x+3/2, y, z']], [['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x+1, y, -z']], [['x, y, z', '-x+1/2, -y+1, z', 'x, -y+1, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, -y+1, z', 'x, -y+1, z', '-x+3/2, y, z']], [['x, y, z', '-x+1/2, -y, z', 'x, -y, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, -y, z', 'x, -y, z', '-x+3/2, y, z']], [['x, y, z', '-x, y, -z', '-x, -y+1, -z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, -z', '-x+1, -y+1, -z', 'x, -y+1, z']], [['x, y, z', '-x, y, -z', '-x, -y, -z', 'x, -y, z'], ['x, y, z', '-x+1, y, -z', '-x+1, -y, -z', 'x, -y, z']]]\"\n42,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y+1, -z']], [['x, y, z', 'x, -y, -z', '-x+1, -y, -z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, -z', '-x, -y+1, -z', '-x, y, z']], [['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z'], ['x, y, z', 'x, -y+1, -z', '-x+1, -y+1, -z', '-x+1, y, z']]]\"\n43,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, -z'], ['x, y, z', 'x, -y+3/2, -z'], ['x, y, z', 'x, -y+3/2, -z'], ['x, y, z', 'x, -y+1/2, -z']], [['x, y, z', '-x+1/2, -y, z'], ['x, y, z', '-x+1/2, -y+1, z'], ['x, y, z', '-x+3/2, -y, z'], ['x, y, z', '-x+3/2, -y+1, z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x+1, -y+1, -z']]]\"\n44,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z']], [['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z', 'x, y, -z']]]\"\n45,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, z']], [['x, y, z', '-x+1/2, -y, z'], ['x, y, z', '-x+3/2, -y+1, z'], ['x, y, z', '-x+3/2, -y, z'], ['x, y, z', '-x+1/2, -y+1, z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x+1, -y, -z']]]\"\n46,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, z']], [['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, y, z'], ['x, y, z', '-x+3/2, y, z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y, -z']], [['x, y, z', '-x+1/2, -y+3/2, z', 'x, -y+3/2, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, -y+1/2, z', 'x, -y+1/2, z', '-x+3/2, y, z']], [['x, y, z', '-x+1/2, -y+1/2, z', 'x, -y+1/2, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, -y+3/2, z', 'x, -y+3/2, z', '-x+3/2, y, z']]]\"\n47,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+5/2, -y+3/2, z'], ['x, y, z', '-x+5/2, -y+5/2, z'], ['x, y, z', '-x+3/2, -y+5/2, z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z']], [['x, y, z', 'x, y, -z', '-x+1/2, -y+1/2, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', 'x, y, -z', '-x+3/2, -y+1/2, z', '-x+3/2, -y+1/2, -z'], ['x, y, z', 'x, y, -z', '-x+3/2, -y+3/2, z', '-x+3/2, -y+3/2, -z'], ['x, y, z', 'x, y, -z', '-x+5/2, -y+3/2, z', '-x+5/2, -y+3/2, -z']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z', '-x+1, -y, -z', 'x, y, -z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z', 'x, -y+1, -z', '-x+2, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x+2, y, z']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', '-x+1, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x+1, y, z']]]\"\n48,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+5/2, z'], ['x, y, z', 'x, -y+5/2, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x+1/2, -y, z'], ['x, y, z', '-x+3/2, -y+1, z'], ['x, y, z', '-x+3/2, -y, z'], ['x, y, z', '-x+1/2, -y+1, z'], ['x, y, z', '-x+3/2, -y+1, z'], ['x, y, z', '-x+5/2, -y+2, z'], ['x, y, z', '-x+5/2, -y+1, z'], ['x, y, z', '-x+3/2, -y+2, z']], [['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x+5/2, y, -z'], ['x, y, z', '-x+5/2, y, -z'], ['x, y, z', '-x+3/2, y, -z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+2, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+2, -z']], [['x, y, z', '-x, -y+1/2, z', 'x, -y+1/2, z', '-x, y, z'], ['x, y, z', '-x, -y+3/2, z', 'x, -y+3/2, z', '-x, y, z'], ['x, y, z', '-x+1, -y+3/2, z', 'x, -y+3/2, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+5/2, z', 'x, -y+5/2, z', '-x+1, y, z']], [['x, y, z', 'x, -y+1/2, z', '-x+1/2, y, -z', '-x+1/2, -y+1/2, -z'], ['x, y, z', 'x, -y+1/2, z', '-x+3/2, y, -z', '-x+3/2, -y+1/2, -z'], ['x, y, z', 'x, -y+3/2, z', '-x+3/2, y, -z', '-x+3/2, -y+3/2, -z'], ['x, y, z', 'x, -y+3/2, z', '-x+5/2, y, -z', '-x+5/2, -y+3/2, -z']], [['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z'], ['x, y, z', 'x, -y+1, -z', '-x, -y+1, -z', '-x, y, z'], ['x, y, z', 'x, -y+1, -z', '-x+1, -y+1, -z', '-x+1, y, z'], ['x, y, z', 'x, -y+2, -z', '-x+1, -y+2, -z', '-x+1, y, z']], [['x, y, z', 'x, -y, -z', '-x+1/2, -y, z', '-x+1/2, y, -z'], ['x, y, z', 'x, -y, -z', '-x+3/2, -y, z', '-x+3/2, y, -z'], ['x, y, z', 'x, -y+1, -z', '-x+3/2, -y+1, z', '-x+3/2, y, -z'], ['x, y, z', 'x, -y+1, -z', '-x+5/2, -y+1, z', '-x+5/2, y, -z']]]\"\n49,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z']]]\"\n50,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z', '-y+1, x, -z']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z']]]\"\n51,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, -y+1, -z', 'x, y, -z', 'y, -x+1, -z', '-y+1, x, -z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z']]]\"\n52,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y, -z']], [['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, x, z', 'y, -x+3/2, z']], [['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, -x+1, -z', '-y+1, x+1/2, -z'], ['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, -x+1, -z', '-y+1, x-1/2, -z']]]\"\n53,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z']], [['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-y, -x, -z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, y, -z', 'x, -y+1, -z', 'y, x, -z', '-y+1, -x+1, -z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z']]]\"\n54,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y-1/2, x+1/2, -z'], ['x, y, z', 'y-1/2, x+1/2, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']], [['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z', '-y+1/2, -x+1/2, -z']]]\"\n55,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z']], [['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z']]]\"\n56,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z']], [['x, y, z', '-x+1, -y, z', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x, -y+1, z', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']]]\"\n57,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z']], [['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z', '-y+1, x, -z', '-x+1, y, -z', 'x, -y+1, -z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x, y, -z', 'x, -y, -z', '-y, -x, z', 'y, x, z']]]\"\n58,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y+1, z', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+1, -y, z', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z', '-y+1, x, -z']]]\"\n59,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-y, -x, -z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z']], [['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z', '-y+1, x, -z', 'x, -y+1, z', '-x+1, y, z', 'y, x, -z', '-y+1, -x+1, -z']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', 'y, x, -z', '-y, -x, -z']]]\"\n60,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y-1/2, x+1/2, -z'], ['x, y, z', 'y-1/2, x+1/2, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z', '-y+1/2, -x+1/2, -z']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z', '-y+1, x, -z']]]\"\n61,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z']], [['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z']], [['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z', '-x, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z', '-x+1, -y, -z', 'x, y, -z', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, y, -z', 'x, -y+1, -z', 'y, x, -z', '-y+1, -x+1, -z', '-x+1, -y+1, -z', 'x, y, -z', 'y, -x+1, -z', '-y+1, x, -z', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z']]]\"\n62,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y+1, -x+1, z']], [['x, y, z', 'x, -y+1/2, -z'], ['x, y, z', 'x, -y+1/2, -z'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', 'x, -y+3/2, -z'], ['x, y, z', 'x, -y+3/2, -z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x+3/2, y, -z']], [['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z']], [['x, y, z', '-x+3/2, -y+1/2, z', '-y+1, -x+1, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z', '-y+1, -x+1, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z', '-y+1, -x+1, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z', '-y+1, -x+1, z', 'y-1/2, x+1/2, z']], [['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, x, z', 'y, -x+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, x, z', 'y, -x+3/2, z']], [['x, y, z', 'y, x, -z', '-x, -y, -z', '-y, -x, z'], ['x, y, z', 'y, x, -z', '-x+1, -y+1, -z', '-y+1, -x+1, z'], ['x, y, z', '-y+1/2, -x+1/2, -z', '-x+1, -y, -z', 'y+1/2, x-1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, -z', '-x, -y+1, -z', 'y-1/2, x+1/2, z']], [['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z', 'x, -y+1/2, -z', 'y+1/2, -x+1, -z', '-y+1, x-1/2, -z', '-y+1, -x+1, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z', 'x, -y+3/2, -z', 'y-1/2, -x+1, -z', '-y+1, x+1/2, -z', '-y+1, -x+1, z', 'y-1/2, x+1/2, z']], [['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x+1/2, y, -z', 'x, -y+1/2, -z', 'y, x, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, x, z', 'y, -x+3/2, z', '-x+3/2, y, -z', 'x, -y+3/2, -z', 'y, x, -z', '-y+3/2, -x+3/2, -z']]]\"\n63,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'y-1/2, x+1/2, -z', 'x, y, -z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, -z', 'x, y, -z', 'y-1/2, x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, -z', 'x, y, -z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, -z', 'x, y, -z', '-y+1/2, -x+1/2, z']], [['x, y, z', '-x, -y+1, z', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+1, -y, z', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1, -y, z', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x, -y+1, z', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']], [['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z', '-x, -y+1, -z', 'x, y, -z', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z', '-y+1/2, -x+1/2, -z', '-x+1, -y, -z', 'x, y, -z', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, -y+1, -z', 'x, y, -z', 'y, -x+1, -z', '-y+1, x, -z']]]\"\n64,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z']], [['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+1/2, y, z'], ['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+1/2, z'], ['x, y, z', '-x+3/2, y, z'], ['x, y, z', '-x+3/2, y, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, z']], [['x, y, z', '-y, -x, -z'], ['x, y, z', '-y+1, -x+1, -z'], ['x, y, z', 'y+1/2, x-1/2, -z'], ['x, y, z', 'y-1/2, x+1/2, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-y+1, -x+1, -z'], ['x, y, z', 'y+1/2, x-1/2, -z'], ['x, y, z', 'y-1/2, x+1/2, -z']], [['x, y, z', '-x+3/2, -y+1/2, z', 'x, -y+1/2, z', '-x+3/2, y, z'], ['x, y, z', '-x+1/2, -y+3/2, z', 'x, -y+3/2, z', '-x+1/2, y, z'], ['x, y, z', '-x+1/2, -y+3/2, z', 'x, -y+3/2, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, -y+1/2, z', 'x, -y+1/2, z', '-x+3/2, y, z']], [['x, y, z', '-y, -x, -z', '-x, -y, -z', 'y, x, z'], ['x, y, z', '-y+1, -x+1, -z', '-x+1, -y+1, -z', 'y, x, z'], ['x, y, z', 'y+1/2, x-1/2, -z', '-x+1, -y, -z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, -z', '-x, -y+1, -z', '-y+1/2, -x+1/2, z']], [['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', 'x, -y+1/2, z', '-x+1/2, y, z', '-y+1/2, -x+1/2, z', 'y, x, z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, x, z', 'y, -x+3/2, z', 'x, -y+3/2, z', '-x+3/2, y, z', '-y+3/2, -x+3/2, z', 'y, x, z']], [['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, -z', '-y+1, -x+1, -z', 'y+1/2, -x+1, -z', '-y+1, x-1/2, -z', 'x, -y+1/2, z', '-x+3/2, y, z'], ['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, x+1/2, -z', '-y+1, -x+1, -z', 'y-1/2, -x+1, -z', '-y+1, x+1/2, -z', 'x, -y+3/2, z', '-x+1/2, y, z']]]\"\n65,\"[[['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z']]]\"\n66,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y+1, -z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z']]]\"\n67,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, -z'], ['x, y, z', '-x+y, y, -z'], ['x, y, z', 'x, x-y, -z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z', '-x+y+1, y, -z', 'x, x-y, -z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z', '-x+y, y, -z', 'x, x-y+1, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z']]]\"\n68,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z'], ['x, y, z', 'y, x, -z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z']]]\"\n69,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', 'x, x-y, z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z']]]\"\n70,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']]]\"\n71,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'x-y, -y, z'], ['x, y, z', 'y, x, z']], [['x, y, z', '-y, -x, -z'], ['x, y, z', '-x+y, y, -z'], ['x, y, z', 'x, x-y, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-x+y, y, -z'], ['x, y, z', 'x, x-y, -z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-x+y+1, y, -z', '-x+1, -y, -z', 'x-y, -y, z'], ['x, y, z', 'x, x-y+1, -z', '-x, -y+1, -z', '-x, -x+y, z'], ['x, y, z', '-y+1, -x+1, -z', '-x+1, -y+1, -z', 'y, x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z', '-x+y, y, -z', 'x, x-y+1, -z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z', '-x+y+1, y, -z', 'x, x-y, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']]]\"\n72,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-x+y, y, z']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z'], ['x, y, z', 'y, x, -z']], [['x, y, z', 'x-y, -y, -z', '-x+1, -y, -z', '-x+y+1, y, z'], ['x, y, z', '-x, -x+y, -z', '-x, -y+1, -z', 'x, x-y+1, z'], ['x, y, z', 'y, x, -z', '-x+1, -y+1, -z', '-y+1, -x+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z']]]\"\n73,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z']]]\"\n74,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z', '-y+1, x-y, -z', '-x+y+1, -x+1, -z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z', '-y+1, x-y+1, -z', '-x+y, -x+1, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z']]]\"\n75,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z', 'x, y, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z', '-y+1, x-y+1, -z', '-x+y, -x+1, -z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z', '-y+1, x-y, -z', '-x+y+1, -x+1, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z']]]\"\n76,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, -z'], ['x, y, z', '-x+y, y, -z'], ['x, y, z', 'x, x-y, -z'], 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procedures.\n#\n#######################################################################\n\ndata_ADAMAN08\n_symmetry_cell_setting tetragonal\n_symmetry_space_group_name_H-M 'P -4 21 c'\n_symmetry_Int_Tables_number 114\n_space_group_name_Hall 'P -4 2n'\nloop_\n_symmetry_equiv_pos_site_id\n_symmetry_equiv_pos_as_xyz\n1 x,y,z\n2 -y,x,-z\n3 -x,-y,z\n4 y,-x,-z\n5 1/2-x,1/2+y,1/2-z\n6 1/2+y,1/2+x,1/2+z\n7 1/2+x,1/2-y,1/2-z\n8 1/2-y,1/2-x,1/2+z\n_cell_length_a 6.639(7)\n_cell_length_b 6.639(7)\n_cell_length_c 8.918(9)\n_cell_angle_alpha 90\n_cell_angle_beta 90\n_cell_angle_gamma 90\n_cell_volume 393.073\nloop_\n_atom_site_label\n_atom_site_type_symbol\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\nC1 C 0.0000 0.0000 0.1980(3)\nC2 C -0.0262(4) 0.1862(4) 0.0992(3)\nC3 C 0.1600(4) 0.2122(4) 0.0000\nH1 H 0.1156(40) 0.0099(73) 0.2688(27)\nH2 H -0.0355(50) 0.3016(46) 0.1590(32)\nH3 H 0.2817(53) 0.2303(48) 0.0626(33)\nH4 H 0.1427(48) 0.3286(47) -0.0570(33)\n#END\n" }, { "path": "pyxtal/database/packing-analysis/CONGRS.cif", "content": "\n#######################################################################\n#\n# Cambridge Crystallographic Data Centre\n# CCDC \n#\n#######################################################################\n#\n# If this CIF has been generated from an entry in the Cambridge \n# Structural Database, then it will include bibliographic, chemical, \n# crystal, experimental, refinement or atomic coordinate data resulting \n# from the CCDC's data processing and validation procedures.\n#\n#######################################################################\n\ndata_CONGRS\n_symmetry_cell_setting cubic\n_symmetry_space_group_name_H-M 'P a 3'\n_symmetry_Int_Tables_number 205\n_space_group_name_Hall '-P 2ac 2ab 3'\nloop_\n_symmetry_equiv_pos_site_id\n_symmetry_equiv_pos_as_xyz\n1 x,y,z\n2 z,x,y\n3 y,z,x\n4 -x,1/2+y,1/2-z\n5 -z,1/2+x,1/2-y\n6 -y,1/2+z,1/2-x\n7 1/2-x,-y,1/2+z\n8 1/2-z,-x,1/2+y\n9 1/2-y,-z,1/2+x\n10 1/2+x,1/2-y,-z\n11 1/2+z,1/2-x,-y\n12 1/2+y,1/2-z,-x\n13 -x,-y,-z\n14 -z,-x,-y\n15 -y,-z,-x\n16 x,1/2-y,1/2+z\n17 z,1/2-x,1/2+y\n18 y,1/2-z,1/2+x\n19 1/2+x,y,1/2-z\n20 1/2+z,x,1/2-y\n21 1/2+y,z,1/2-x\n22 1/2-x,1/2+y,z\n23 1/2-z,1/2+x,y\n24 1/2-y,1/2+z,x\n_cell_length_a 10.109\n_cell_length_b 10.109\n_cell_length_c 10.109\n_cell_angle_alpha 90\n_cell_angle_beta 90\n_cell_angle_gamma 90\n_cell_volume 1033.06\nloop_\n_atom_site_label\n_atom_site_type_symbol\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\nC1 C 0.13330 0.13330 0.13330\nC2 C 0.21930 0.04560 0.04340\nC3 C 0.13120 -0.04210 -0.04380\nH1 H 0.19070 0.19070 0.19070\nH2 H 0.25870 0.09730 -0.03200\nH3 H 0.25230 -0.01200 0.09110\nH4 H 0.18240 -0.10850 -0.09200\n#END\n" }, { "path": "pyxtal/database/packing-analysis/DNNAPH.cif", "content": "\n#######################################################################\n#\n# Cambridge Crystallographic Data Centre\n# CCDC \n#\n#######################################################################\n#\n# If this CIF has been generated from an entry in the Cambridge \n# Structural Database, then it will include bibliographic, chemical, \n# crystal, experimental, refinement or atomic coordinate data resulting \n# from the CCDC's data processing and validation procedures.\n#\n#######################################################################\n\ndata_DNNAPH\n_symmetry_cell_setting monoclinic\n_symmetry_space_group_name_H-M 'P 21/a'\n_symmetry_Int_Tables_number 14\n_space_group_name_Hall '-P 2yab'\nloop_\n_symmetry_equiv_pos_site_id\n_symmetry_equiv_pos_as_xyz\n1 x,y,z\n2 1/2-x,1/2+y,-z\n3 -x,-y,-z\n4 1/2+x,1/2-y,z\n_cell_length_a 7.760\n_cell_length_b 16.320\n_cell_length_c 3.700\n_cell_angle_alpha 90\n_cell_angle_beta 101.80\n_cell_angle_gamma 90\n_cell_volume 458.678\nloop_\n_atom_site_label\n_atom_site_type_symbol\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\nC1 C 0.08700 0.01600 0.07800\nC2 C 0.11700 0.09900 -0.01700\nC3 C -0.00900 0.15200 -0.20900\nC4 C -0.18200 0.12100 -0.31900\nC5 C 0.21300 -0.04100 0.25600\nN1 N 0.29500 0.13600 0.09200\nO1 O 0.41800 0.09700 0.02800\nO2 O 0.30700 0.20000 0.27100\n\n#END\n" }, { "path": "pyxtal/database/packing-analysis/HCCYHB.cif", "content": "\n#######################################################################\n#\n# Cambridge Crystallographic Data Centre\n# CCDC \n#\n#######################################################################\n#\n# If this CIF has been generated from an entry in the Cambridge \n# Structural Database, then it will include bibliographic, chemical, \n# crystal, experimental, refinement or atomic coordinate data resulting \n# from the CCDC's data processing and validation procedures.\n#\n#######################################################################\n\ndata_HCCYHB\n_symmetry_cell_setting cubic\n_symmetry_space_group_name_H-M 'P a 3'\n_symmetry_Int_Tables_number 205\n_space_group_name_Hall '-P 2ac 2ab 3'\nloop_\n_symmetry_equiv_pos_site_id\n_symmetry_equiv_pos_as_xyz\n1 x,y,z\n2 z,x,y\n3 y,z,x\n4 -x,1/2+y,1/2-z\n5 -z,1/2+x,1/2-y\n6 -y,1/2+z,1/2-x\n7 1/2-x,-y,1/2+z\n8 1/2-z,-x,1/2+y\n9 1/2-y,-z,1/2+x\n10 1/2+x,1/2-y,-z\n11 1/2+z,1/2-x,-y\n12 1/2+y,1/2-z,-x\n13 -x,-y,-z\n14 -z,-x,-y\n15 -y,-z,-x\n16 x,1/2-y,1/2+z\n17 z,1/2-x,1/2+y\n18 y,1/2-z,1/2+x\n19 1/2+x,y,1/2-z\n20 1/2+z,x,1/2-y\n21 1/2+y,z,1/2-x\n22 1/2-x,1/2+y,z\n23 1/2-z,1/2+x,y\n24 1/2-y,1/2+z,x\n_cell_length_a 10.08(1)\n_cell_length_b 10.08(1)\n_cell_length_c 10.08(1)\n_cell_angle_alpha 90\n_cell_angle_beta 90\n_cell_angle_gamma 90\n_cell_volume 1024.19\nloop_\n_atom_site_label\n_atom_site_type_symbol\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\nCl1 Cl 0.38560 0.22320 0.08190\nC1 C 0.41720 0.39730 0.06460\nH1 H 0.36840 0.47300 0.14730\n#END\n" }, { "path": "pyxtal/database/packing-analysis/HCLBNZ.cif", "content": "\n#######################################################################\n#\n# Cambridge Crystallographic Data Centre\n# CCDC \n#\n#######################################################################\n#\n# If this CIF has been generated from an entry in the Cambridge \n# Structural Database, then it will include bibliographic, chemical, \n# crystal, experimental, refinement or atomic coordinate data resulting \n# from the CCDC's data processing and validation procedures.\n#\n#######################################################################\n\ndata_HCLBNZ\n_symmetry_cell_setting monoclinic\n_symmetry_space_group_name_H-M 'P 21/c'\n_symmetry_Int_Tables_number 14\n_space_group_name_Hall '-P 2ybc'\nloop_\n_symmetry_equiv_pos_site_id\n_symmetry_equiv_pos_as_xyz\n1 x,y,z\n2 -x,1/2+y,1/2-z\n3 -x,-y,-z\n4 x,1/2-y,1/2+z\n_cell_length_a 8.080\n_cell_length_b 3.870\n_cell_length_c 16.650\n_cell_angle_alpha 90\n_cell_angle_beta 117.00\n_cell_angle_gamma 90\n_cell_volume 463.893\nloop_\n_atom_site_label\n_atom_site_type_symbol\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\nCl1 Cl 0.40800 0.24500 0.06600\nCl2 Cl 0.27900 -0.03300 0.20400\nCl3 Cl 0.12800 0.27800 -0.13800\nC1 C 0.18300 0.11100 0.03000\nC2 C 0.12600 -0.01500 0.09200\nC3 C 0.05800 0.12500 -0.06200\n\n#END\n" }, { "path": "pyxtal/database/packing-analysis/HXMTAM.cif", "content": "\n#######################################################################\n#\n# Cambridge Crystallographic Data Centre\n# CCDC \n#\n#######################################################################\n#\n# If this CIF has been generated from an entry in the Cambridge \n# Structural Database, then it will include bibliographic, chemical, \n# crystal, experimental, refinement or atomic coordinate data resulting \n# from the CCDC's data processing and validation procedures.\n#\n#######################################################################\n\ndata_HXMTAM\n_symmetry_cell_setting cubic\n_symmetry_space_group_name_H-M 'I -4 3 m'\n_symmetry_Int_Tables_number 217\n_space_group_name_Hall 'I -4 2 3'\nloop_\n_symmetry_equiv_pos_site_id\n_symmetry_equiv_pos_as_xyz\n1 x,y,z\n2 1/2+x,1/2+y,1/2+z\n3 z,x,y\n4 y,z,x\n5 1/2+z,1/2+x,1/2+y\n6 1/2+y,1/2+z,1/2+x\n7 -y,x,-z\n8 1/2-y,1/2+x,1/2-z\n9 -x,z,-y\n10 -z,y,-x\n11 1/2-x,1/2+z,1/2-y\n12 1/2-z,1/2+y,1/2-x\n13 x,-y,-z\n14 1/2+x,1/2-y,1/2-z\n15 z,-x,-y\n16 y,-z,-x\n17 1/2+z,1/2-x,1/2-y\n18 1/2+y,1/2-z,1/2-x\n19 -y,-x,z\n20 1/2-y,1/2-x,1/2+z\n21 -x,-z,y\n22 -z,-y,x\n23 1/2-x,1/2-z,1/2+y\n24 1/2-z,1/2-y,1/2+x\n25 -x,y,-z\n26 1/2-x,1/2+y,1/2-z\n27 -z,x,-y\n28 -y,z,-x\n29 1/2-z,1/2+x,1/2-y\n30 1/2-y,1/2+z,1/2-x\n31 y,x,z\n32 1/2+y,1/2+x,1/2+z\n33 x,z,y\n34 z,y,x\n35 1/2+x,1/2+z,1/2+y\n36 1/2+z,1/2+y,1/2+x\n37 -x,-y,z\n38 1/2-x,1/2-y,1/2+z\n39 -z,-x,y\n40 -y,-z,x\n41 1/2-z,1/2-x,1/2+y\n42 1/2-y,1/2-z,1/2+x\n43 y,-x,-z\n44 1/2+y,1/2-x,1/2-z\n45 x,-z,-y\n46 z,-y,-x\n47 1/2+x,1/2-z,1/2-y\n48 1/2+z,1/2-y,1/2-x\n_cell_length_a 7.021\n_cell_length_b 7.021\n_cell_length_c 7.021\n_cell_angle_alpha 90\n_cell_angle_beta 90\n_cell_angle_gamma 90\n_cell_volume 346.096\nloop_\n_atom_site_label\n_atom_site_type_symbol\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\nC1 C 0.23780 0.00000 0.00000\nH1 H 0.32750 0.08850 -0.08850\nN1 N 0.12320 0.12320 0.12320\n#END\n" }, { "path": "pyxtal/database/packing-analysis/PNDMAM10.cif", "content": "\n#######################################################################\n#\n# Cambridge Crystallographic Data Centre\n# CCDC \n#\n#######################################################################\n#\n# If this CIF has been generated from an entry in the Cambridge \n# Structural Database, then it will include bibliographic, chemical, \n# crystal, experimental, refinement or atomic coordinate data resulting \n# from the CCDC's data processing and validation procedures.\n#\n#######################################################################\n\ndata_PNDMAM10\n_symmetry_cell_setting cubic\n_symmetry_space_group_name_H-M 'P a 3'\n_symmetry_Int_Tables_number 205\n_space_group_name_Hall '-P 2ac 2ab 3'\nloop_\n_symmetry_equiv_pos_site_id\n_symmetry_equiv_pos_as_xyz\n1 x,y,z\n2 z,x,y\n3 y,z,x\n4 1/2+x,y,1/2-z\n5 1/2+z,x,1/2-y\n6 1/2+y,z,1/2-x\n7 1/2-x,1/2+y,z\n8 1/2-z,1/2+x,y\n9 1/2-y,1/2+z,x\n10 -x,1/2+y,1/2-z\n11 -z,1/2+x,1/2-y\n12 -y,1/2+z,1/2-x\n13 -x,-y,-z\n14 -z,-x,-y\n15 -y,-z,-x\n16 1/2-x,-y,1/2+z\n17 1/2-z,-x,1/2+y\n18 1/2-y,-z,1/2+x\n19 1/2+x,1/2-y,-z\n20 1/2+z,1/2-x,-y\n21 1/2+y,1/2-z,-x\n22 x,1/2-y,1/2+z\n23 z,1/2-x,1/2+y\n24 y,1/2-z,1/2+x\n_cell_length_a 16.198(5)\n_cell_length_b 16.198(5)\n_cell_length_c 16.198(5)\n_cell_angle_alpha 90\n_cell_angle_beta 90\n_cell_angle_gamma 90\n_cell_volume 4249.95\nloop_\n_atom_site_label\n_atom_site_type_symbol\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\nC1 C -0.09810 0.06000 -0.25880\nC2 C -0.04100 -0.07390 -0.21950\nC3 C 0.11980 0.19880 -0.21790\nC4 C 0.11400 0.07690 -0.30320\nH1 H -0.09000 0.05000 -0.32000\nH2 H 0.12000 0.10000 -0.37000\nH3 H 0.15000 0.05000 -0.29000\nH4 H 0.07000 0.04000 -0.32000\nH5 H -0.09000 0.11000 -0.26000\nH6 H -0.15000 0.03000 -0.23000\nH7 H -0.11000 -0.10000 -0.21000\nH8 H -0.02000 -0.10000 -0.17000\nH9 H -0.02000 -0.08000 -0.27000\nH10 H 0.17000 0.18000 -0.21000\nH11 H 0.08000 0.23000 -0.19000\nH12 H 0.10000 0.24000 -0.26000\nN1 N 0.09600 -0.00440 -0.13100\nN2 N -0.04100 0.01460 -0.20640\nN3 N 0.07550 0.12220 -0.23530\nP1 P 0.03520 0.06480 -0.15930\nN1N N 0.00440 0.13100 -0.09600\nP1M P 0.15930 -0.03520 -0.06480\nP1N P -0.06480 0.15930 -0.03520\nN1M N 0.13100 -0.09600 0.00440\nN2M N 0.20640 0.04100 -0.01460\nN3M N 0.23530 -0.07550 -0.12220\nN1A N -0.13100 0.09600 -0.00440\nN2N N -0.01460 0.20640 0.04100\nN3N N -0.12220 0.23530 -0.07550\nP1B P 0.06480 -0.15930 0.03520\nC1M C 0.25880 0.09810 -0.06000\nC2M C 0.21950 0.04100 0.07390\nC3M C 0.21790 -0.11980 -0.19880\nC4M C 0.30320 -0.11400 -0.07690\nP1A P -0.15930 0.03520 0.06480\nC1N C -0.06000 0.25880 0.09810\nC2N C 0.07390 0.21950 0.04100\nC3N C -0.19880 0.21790 -0.11980\nC4N C -0.07690 0.30320 -0.11400\nN1B N -0.00440 -0.13100 0.09600\nN2B N 0.01460 -0.20640 -0.04100\nN3B N 0.12220 -0.23530 0.07550\nH1M H 0.32000 0.09000 -0.05000\nH5M H 0.26000 0.09000 -0.11000\nH6M H 0.23000 0.15000 -0.03000\nH7M H 0.21000 0.11000 0.10000\nH8M H 0.17000 0.02000 0.10000\nH9M H 0.27000 0.02000 0.08000\nH10M H 0.21000 -0.17000 -0.18000\nH11M H 0.19000 -0.08000 -0.23000\nH12M H 0.26000 -0.10000 -0.24000\nH2M H 0.37000 -0.12000 -0.10000\nH3M H 0.29000 -0.15000 -0.05000\nH4M H 0.32000 -0.07000 -0.04000\nN1L N -0.09600 0.00440 0.13100\nN2A N -0.20640 -0.04100 0.01460\nN3A N -0.23530 0.07550 0.12220\nH1N H -0.05000 0.32000 0.09000\nH5N H -0.11000 0.26000 0.09000\nH6N H -0.03000 0.23000 0.15000\nH7N H 0.10000 0.21000 0.11000\nH8N H 0.10000 0.17000 0.02000\nH9N H 0.08000 0.27000 0.02000\nH10N H -0.18000 0.21000 -0.17000\nH11N H -0.23000 0.19000 -0.08000\nH12N H -0.24000 0.26000 -0.10000\nH2N H -0.10000 0.37000 -0.12000\nH3N H -0.05000 0.29000 -0.15000\nH4N H -0.04000 0.32000 -0.07000\nP1L P -0.03520 -0.06480 0.15930\nC1B C 0.06000 -0.25880 -0.09810\nC2B C -0.07390 -0.21950 -0.04100\nC3B C 0.19880 -0.21790 0.11980\nC4B C 0.07690 -0.30320 0.11400\nC1A C -0.25880 -0.09810 0.06000\nC2A C -0.21950 -0.04100 -0.07390\nC3A C -0.21790 0.11980 0.19880\nC4A C -0.30320 0.11400 0.07690\nN2L N 0.04100 -0.01460 0.20640\nN3L N -0.07550 -0.12220 0.23530\nH1B H 0.05000 -0.32000 -0.09000\nH5B H 0.11000 -0.26000 -0.09000\nH6B H 0.03000 -0.23000 -0.15000\nH7B H -0.10000 -0.21000 -0.11000\nH8B H -0.10000 -0.17000 -0.02000\nH9B H -0.08000 -0.27000 -0.02000\nH10B H 0.18000 -0.21000 0.17000\nH11B H 0.23000 -0.19000 0.08000\nH12B H 0.24000 -0.26000 0.10000\nH2B H 0.10000 -0.37000 0.12000\nH3B H 0.05000 -0.29000 0.15000\nH4B H 0.04000 -0.32000 0.07000\nH1A H -0.32000 -0.09000 0.05000\nH5A H -0.26000 -0.09000 0.11000\nH6A H -0.23000 -0.15000 0.03000\nH7A H -0.21000 -0.11000 -0.10000\nH8A H -0.17000 -0.02000 -0.10000\nH9A H -0.27000 -0.02000 -0.08000\nH10A H -0.21000 0.17000 0.18000\nH11A H -0.19000 0.08000 0.23000\nH12A H -0.26000 0.10000 0.24000\nH2A H -0.37000 0.12000 0.10000\nH3A H -0.29000 0.15000 0.05000\nH4A H -0.32000 0.07000 0.04000\nC1L C 0.09810 -0.06000 0.25880\nC2L C 0.04100 0.07390 0.21950\nC3L C -0.11980 -0.19880 0.21790\nC4L C -0.11400 -0.07690 0.30320\nH1L H 0.09000 -0.05000 0.32000\nH5L H 0.09000 -0.11000 0.26000\nH6L H 0.15000 -0.03000 0.23000\nH7L H 0.11000 0.10000 0.21000\nH8L H 0.02000 0.10000 0.17000\nH9L H 0.02000 0.08000 0.27000\nH10L H -0.17000 -0.18000 0.21000\nH11L H -0.08000 -0.23000 0.19000\nH12L H -0.10000 -0.24000 0.26000\nH2L H -0.12000 -0.10000 0.37000\nH3L H -0.15000 -0.05000 0.29000\nH4L H -0.07000 -0.04000 0.32000\n\n#END\n" }, { "path": "pyxtal/database/packing-analysis/ZZZWOU01.cif", "content": "\n#######################################################################\n#\n# Cambridge Crystallographic Data Centre\n# CCDC \n#\n#######################################################################\n#\n# If this CIF has been generated from an entry in the Cambridge \n# Structural Database, then it will include bibliographic, chemical, \n# crystal, experimental, refinement or atomic coordinate data resulting \n# from the CCDC's data processing and validation procedures.\n#\n#######################################################################\n\ndata_ZZZWOU01\n_symmetry_cell_setting cubic\n_symmetry_space_group_name_H-M 'P a 3'\n_symmetry_Int_Tables_number 205\n_space_group_name_Hall '-P 2ac 2ab 3'\nloop_\n_symmetry_equiv_pos_site_id\n_symmetry_equiv_pos_as_xyz\n1 x,y,z\n2 z,x,y\n3 y,z,x\n4 -x,1/2+y,1/2-z\n5 -z,1/2+x,1/2-y\n6 -y,1/2+z,1/2-x\n7 1/2-x,-y,1/2+z\n8 1/2-z,-x,1/2+y\n9 1/2-y,-z,1/2+x\n10 1/2+x,1/2-y,-z\n11 1/2+z,1/2-x,-y\n12 1/2+y,1/2-z,-x\n13 -x,-y,-z\n14 -z,-x,-y\n15 -y,-z,-x\n16 x,1/2-y,1/2+z\n17 z,1/2-x,1/2+y\n18 y,1/2-z,1/2+x\n19 1/2+x,y,1/2-z\n20 1/2+z,x,1/2-y\n21 1/2+y,z,1/2-x\n22 1/2-x,1/2+y,z\n23 1/2-z,1/2+x,y\n24 1/2-y,1/2+z,x\n_cell_length_a 9.192(4)\n_cell_length_b 9.192(4)\n_cell_length_c 9.192(4)\n_cell_angle_alpha 90\n_cell_angle_beta 90\n_cell_angle_gamma 90\n_cell_volume 776.658\nloop_\n_atom_site_label\n_atom_site_type_symbol\n_atom_site_fract_x\n_atom_site_fract_y\n_atom_site_fract_z\nN1 N 0.4709(7) 0.2138(9) 0.2168(7)\nC1 C 0.4902(11) 0.1010(8) 0.1111(7)\nH1 H 0.5540(62) 0.2615(60) 0.2355(59)\nH2 H 0.4307(64) 0.1894(80) 0.2952(74)\n#END\n" }, { "path": "pyxtal/database/point.csv", "content": ",0\n0,\n1,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n2,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]]]]\"\n3,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n4,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,0,0],[0,0,0,1]]]]\"\n5,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,0,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,0,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,1,0],[0,0,0,1]],[[0,0,0,0],[0,0,0,0],[0,0,-1,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]]]]\"\n6,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[0,0,0,0],[0,1,0,0],[0,0,0,0],[0,0,0,1]],[[0,0,0,0],[0,-1,0,0],[0,0,0,0],[0,0,0,1]]],[[[1,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]],[[-1,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,1,0],[0,0,0,1]],[[0,0,0,0],[0,0,0,0],[0,0,-1,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]]]]\"\n7,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]],[[[0,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[0,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,0,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,0,0,0],[0,0,1,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n8,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,0,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,0,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,0,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,0,0],[0,0,0,1]]],[[[1,0,0,0],[0,0,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,0,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,0,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,0,0,0],[0,0,-1,0],[0,0,0,1]]],[[[0,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[0,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[0,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[0,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]],[[[0,0,0,0],[0,1,0,0],[0,0,0,0],[0,0,0,1]],[[0,0,0,0],[0,-1,0,0],[0,0,0,0],[0,0,0,1]]],[[[1,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]],[[-1,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,1,0],[0,0,0,1]],[[0,0,0,0],[0,0,0,0],[0,0,-1,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]]]]\"\n9,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,1,0],[0,0,0,1]],[[0,-1,0,0],[1,0,0,0],[0,0,1,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n10,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[0,-1,0,0],[1,0,0,0],[0,0,-1,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,1,0],[0,0,0,1]],[[0,0,0,0],[0,0,0,0],[0,0,-1,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]]]]\"\n11,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[0,-1,0,0],[1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[0,-1,0,0],[1,0,0,0],[0,0,1,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,0,0],[0,0,0,1]],[[0,-1,0,0],[1,0,0,0],[0,0,0,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,0,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,0,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,1,0],[0,0,0,1]],[[0,0,0,0],[0,0,0,0],[0,0,-1,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]]]]\"\n12,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[0,1,0,0],[1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[0,-1,0,0],[-1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[0,-1,0,0],[1,0,0,0],[0,0,1,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[-1,0,0,0],[0,0,0,0],[0,0,0,1]],[[-1,0,0,0],[1,0,0,0],[0,0,0,0],[0,0,0,1]],[[1,0,0,0],[1,0,0,0],[0,0,0,0],[0,0,0,1]],[[-1,0,0,0],[-1,0,0,0],[0,0,0,0],[0,0,0,1]]],[[[1,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]],[[0,0,0,0],[1,0,0,0],[0,0,0,0],[0,0,0,1]],[[-1,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]],[[0,0,0,0],[-1,0,0,0],[0,0,0,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,1,0],[0,0,0,1]],[[0,0,0,0],[0,0,0,0],[0,0,-1,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,0,0],[0,0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,[[1,0,0,0],[-1,0,0,0],[-1,0,0,0],[0,0,0,1]],[[1,0,0,0],[1,0,0,0],[-1,0,0,0],[0,0,0,1]],[[-1,0,0,0],[-1,0,0,0],[-1,0,0,0],[0,0,0,1]],[[1,0,0,0],[-1,0,0,0],[1,0,0,0],[0,0,0,1]],[[-1,0,0,0],[1,0,0,0],[1,0,0,0],[0,0,0,1]]],[[[1,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]],[[-1,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]],[[0,0,0,0],[1,0,0,0],[0,0,0,0],[0,0,0,1]],[[0,0,0,0],[-1,0,0,0],[0,0,0,0],[0,0,0,1]],[[0,0,0,0],[0,0,0,0],[1,0,0,0],[0,0,0,1]],[[0,0,0,0],[0,0,0,0],[-1,0,0,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]]]]\"\n31,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[0,0,1,0],[1,0,0,0],[0,1,0,0],[0,0,0,1]],[[0,0,1,0],[-1,0,0,0],[0,-1,0,0],[0,0,0,1]],[[0,0,-1,0],[-1,0,0,0],[0,1,0,0],[0,0,0,1]],[[0,0,-1,0],[1,0,0,0],[0,-1,0,0],[0,0,0,1]],[[0,1,0,0],[0,0,1,0],[1,0,0,0],[0,0,0,1]],[[0,-1,0,0],[0,0,1,0],[-1,0,0,0],[0,0,0,1]],[[0,1,0,0],[0,0,-1,0],[-1,0,0,0],[0,0,0,1]],[[0,-1,0,0],[0,0,-1,0],[1,0,0,0],[0,0,0,1]],[[0,1,0,0],[1,0,0,0],[0,0,1,0],[0,0,0,1]],[[0,-1,0,0],[-1,0,0,0],[0,0,1,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[0,-1,0,0],[1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,0,1,0],[0,1,0,0],[0,0,0,1]],[[-1,0,0,0],[0,0,1,0],[0,-1,0,0],[0,0,0,1]],[[-1,0,0,0],[0,0,-1,0],[0,1,0,0],[0,0,0,1]],[[1,0,0,0],[0,0,-1,0],[0,-1,0,0],[0,0,0,1]],[[0,0,1,0],[0,1,0,0],[1,0,0,0],[0,0,0,1]],[[0,0,1,0],[0,-1,0,0],[-1,0,0,0],[0,0,0,1]],[[0,0,-1,0],[0,1,0,0],[-1,0,0,0],[0,0,0,1]],[[0,0,-1,0],[0,-1,0,0],[1,0,0,0],[0,0,0,1]]],[[[1,0,0,0],[1,0,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[-1,0,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[-1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[0,0,1,0],[1,0,0,0],[1,0,0,0],[0,0,0,1]],[[0,0,1,0],[-1,0,0,0],[-1,0,0,0],[0,0,0,1]],[[0,0,-1,0],[-1,0,0,0],[1,0,0,0],[0,0,0,1]],[[0,0,-1,0],[1,0,0,0],[-1,0,0,0],[0,0,0,1]],[[1,0,0,0],[0,0,1,0],[1,0,0,0],[0,0,0,1]],[[-1,0,0,0],[0,0,1,0],[-1,0,0,0],[0,0,0,1]],[[1,0,0,0],[0,0,-1,0],[-1,0,0,0],[0,0,0,1]],[[-1,0,0,0],[0,0,-1,0],[1,0,0,0],[0,0,0,1]]],[[[1,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]],[[-1,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]],[[0,0,0,0],[1,0,0,0],[0,0,0,0],[0,0,0,1]],[[0,0,0,0],[-1,0,0,0],[0,0,0,0],[0,0,0,1]],[[0,0,0,0],[0,0,0,0],[1,0,0,0],[0,0,0,1]],[[0,0,0,0],[0,0,0,0],[-1,0,0,0],[0,0,0,1]]],[[[1,0,0,0],[1,0,0,0],[1,0,0,0],[0,0,0,1]],[[-1,0,0,0],[-1,0,0,0],[1,0,0,0],[0,0,0,1]],[[-1,0,0,0],[1,0,0,0],[-1,0,0,0],[0,0,0,1]],[[1,0,0,0],[-1,0,0,0],[-1,0,0,0],[0,0,0,1]]],[[[0,0,0,0],[0,0,0,0],[0,0,0,0],[0,0,0,1]]]]\"\n32,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[0,0,1,0],[1,0,0,0],[0,1,0,0],[0,0,0,1]],[[0,0,1,0],[-1,0,0,0],[0,-1,0,0],[0,0,0,1]],[[0,0,-1,0],[-1,0,0,0],[0,1,0,0],[0,0,0,1]],[[0,0,-1,0],[1,0,0,0],[0,-1,0,0],[0,0,0,1]],[[0,1,0,0],[0,0,1,0],[1,0,0,0],[0,0,0,1]],[[0,-1,0,0],[0,0,1,0],[-1,0,0,0],[0,0,0,1]],[[0,1,0,0],[0,0,-1,0],[-1,0,0,0],[0,0,0,1]],[[0,-1,0,0],[0,0,-1,0],[1,0,0,0],[0,0,0,1]],[[0,1,0,0],[1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[0,-1,0,0],[-1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,1,0],[0,0,0,1]],[[0,-1,0,0],[1,0,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,0,1,0],[0,-1,0,0],[0,0,0,1]],[[-1,0,0,0],[0,0,1,0],[0,1,0,0],[0,0,0,1]],[[-1,0,0,0],[0,0,-1,0],[0,-1,0,0],[0,0,0,1]],[[1,0,0,0],[0,0,-1,0],[0,1,0,0],[0,0,0,1]],[[0,0,1,0],[0,1,0,0],[-1,0,0,0],[0,0,0,1]],[[0,0,1,0],[0,-1,0,0],[1,0,0,0],[0,0,0,1]],[[0,0,-1,0],[0,1,0,0],[1,0,0,0],[0,0,0,1]],[[0,0,-1,0],[0,-1,0,0],[-1,0,0,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[0,0,-1,0],[-1,0,0,0],[0,-1,0,0],[0,0,0,1]],[[0,0,-1,0],[1,0,0,0],[0,1,0,0],[0,0,0,1]],[[0,0,1,0],[1,0,0,0],[0,-1,0,0],[0,0,0,1]],[[0,0,1,0],[-1,0,0,0],[0,1,0,0],[0,0,0,1]],[[0,-1,0,0],[0,0,-1,0],[-1,0,0,0],[0,0,0,1]],[[0,1,0,0],[0,0,-1,0],[1,0,0,0],[0,0,0,1]],[[0,-1,0,0],[0,0,1,0],[1,0,0,0],[0,0,0,1]],[[0,1,0,0],[0,0,1,0],[-1,0,0,0],[0,0,0,1]],[[0,-1,0,0],[-1,0,0,0],[0,0,1,0],[0,0,0,1]],[[0,1,0,0],[1,0,0,0],[0,0,1,0],[0,0,0,1]],[[0,-1,0,0],[1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,0,-1,0],[0,1,0,0],[0,0,0,1]],[[1,0,0,0],[0,0,-1,0],[0,-1,0,0],[0,0,0,1]],[[1,0,0,0],[0,0,1,0],[0,1,0,0],[0,0,0,1]],[[-1,0,0,0],[0,0,1,0],[0,-1,0,0],[0,0,0,1]],[[0,0,-1,0],[0,-1,0,0],[1,0,0,0],[0,0,0,1]],[[0,0,-1,0],[0,1,0,0],[-1,0,0,0],[0,0,0,1]],[[0,0,1,0],[0,-1,0,0],[-1,0,0,0],[0,0,0,1]],[[0,0,1,0],[0,1,0,0],[1,0,0,0],[0,0,0,1]]],[[[1,0,0,0],[1,0,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[-1,0,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[-1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[0,0,1,0],[1,0,0,0],[1,0,0,0],[0,0,0,1]],[[0,0,1,0],[-1,0,0,0],[-1,0,0,0],[0,0,0,1]],[[0,0,-1,0],[-1,0,0,0],[1,0,0,0],[0,0,0,1]],[[0,0,-1,0],[1,0,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",0\n0,\n1,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n2,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n3,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n4,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n5,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n6,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n7,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n8,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n9,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,1,0],[0,0,0,1]],[[0,-1,0,0],[1,0,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n10,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[0,-1,0,0],[1,0,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n11,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[0,-1,0,0],[1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[0,-1,0,0],[1,0,0,0],[0,0,1,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[0,-1,0,0],[1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n12,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[0,1,0,0],[1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[0,-1,0,0],[-1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[0,-1,0,0],[1,0,0,0],[0,0,1,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[0,1,0,0],[1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[0,-1,0,0],[-1,0,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1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],[0,0,1,0],[0,0,0,1]],[[-0.7071067811865478,0.7071067811865472,0,0],[-0.7071067811865472,-0.7071067811865478,0,0],[0,0,1,0],[0,0,0,1]],[[0,1,0,0],[-1,0,0,0],[0,0,1,0],[0,0,0,1]],[[0.707106781186547,0.7071067811865478,0,0],[-0.7071067811865479,0.7071067811865471,0,0],[0,0,1,0],[0,0,0,1]],[[0.7071067811865476,-0.7071067811865475,0,0],[0.7071067811865475,0.7071067811865476,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n36,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[-0.8090169943749473,-0.5877852522924731,0,0],[0.5877852522924731,-0.8090169943749473,0,0],[0,0,1,0],[0,0,0,1]],[[0.30901699437494745,0.9510565162951535,0,0],[0.9510565162951535,-0.30901699437494745,0,0],[0,0,-1,0],[0,0,0,1]],[[0.30901699437494745,-0.9510565162951535,0,0],[-0.9510565162951535,-0.30901699437494745,0,0],[0,0,-1,0],[0,0,0,1]],[[0.30901699437494745,-0.9510565162951535,0,0],[0.9510565162951535,0.30901699437494745,0,0],[0,0,1,0],[0,0,0,1]],[[-0.8090169943749475,0.587785252292473,0,0],[-0.587785252292473,-0.8090169943749475,0,0],[0,0,1,0],[0,0,0,1]],[[-0.8090169943749473,0.5877852522924731,0,0],[0.5877852522924731,0.8090169943749473,0,0],[0,0,-1,0],[0,0,0,1]],[[-0.8090169943749473,-0.5877852522924731,0,0],[-0.5877852522924731,0.8090169943749473,0,0],[0,0,-1,0],[0,0,0,1]],[[0.30901699437494745,0.9510565162951535,0,0],[-0.9510565162951535,0.30901699437494745,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[0.30901699437494745,0.9510565162951535,0,0],[0.9510565162951535,-0.30901699437494745,0,0],[0,0,-1,0],[0,0,0,1]],[[0.30901699437494745,-0.9510565162951535,0,0],[0.9510565162951535,0.30901699437494745,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[-0.8090169943749473,-0.5877852522924731,0,0],[0.5877852522924731,-0.8090169943749473,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n37,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[-0.2225209339563143,-0.9749279121818237,0,0],[0.9749279121818237,-0.22252093395631428,0,0],[0,0,1,0],[0,0,0,1]],[[0.6234898018587336,0.7818314824680298,0,0],[0.7818314824680298,-0.6234898018587336,0,0],[0,0,-1,0],[0,0,0,1]],[[0.6234898018587336,-0.7818314824680298,0,0],[-0.7818314824680298,-0.6234898018587336,0,0],[0,0,-1,0],[0,0,0,1]],[[0.6234898018587336,-0.7818314824680298,0,0],[0.7818314824680298,0.6234898018587336,0,0],[0,0,1,0],[0,0,0,1]],[[-0.9009688679024191,-0.43388373911755834,0,0],[0.43388373911755834,-0.9009688679024191,0,0],[0,0,1,0],[0,0,0,1]],[[-0.2225209339563143,0.9749279121818237,0,0],[0.9749279121818237,0.22252093395631428,0,0],[0,0,-1,0],[0,0,0,1]],[[-0.2225209339563143,-0.9749279121818237,0,0],[-0.9749279121818237,0.22252093395631428,0,0],[0,0,-1,0],[0,0,0,1]],[[0.6234898018587336,0.7818314824680298,0,0],[-0.7818314824680298,0.6234898018587336,0,0],[0,0,1,0],[0,0,0,1]],[[-0.9009688679024194,0.433883739117558,0,0],[-0.433883739117558,-0.9009688679024194,0,0],[0,0,1,0],[0,0,0,1]],[[-0.9009688679024191,0.43388373911755834,0,0],[0.43388373911755834,0.9009688679024191,0,0],[0,0,-1,0],[0,0,0,1]],[[-0.9009688679024191,-0.43388373911755834,0,0],[-0.43388373911755834,0.9009688679024191,0,0],[0,0,-1,0],[0,0,0,1]],[[-0.2225209339563143,0.9749279121818237,0,0],[-0.9749279121818237,-0.22252093395631428,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[0.6234898018587336,0.7818314824680298,0,0],[0.7818314824680298,-0.6234898018587336,0,0],[0,0,-1,0],[0,0,0,1]],[[0.6234898018587336,-0.7818314824680298,0,0],[0.7818314824680298,0.6234898018587336,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[-0.2225209339563143,-0.9749279121818237,0,0],[0.9749279121818237,-0.22252093395631428,0,0],[0,0,1,0],[0,0,0,1]],[[0.6234898018587336,-0.7818314824680298,0,0],[-0.7818314824680298,-0.6234898018587336,0,0],[0,0,-1,0],[0,0,0,1]],[[-0.9009688679024191,-0.43388373911755834,0,0],[0.43388373911755834,-0.9009688679024191,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]\"\n38,\"[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[0,-1,0,0],[1,0,0,0],[0,0,1,0],[0,0,0,1]],[[0.7071067811865476,0.7071067811865475,0,0],[0.7071067811865475,-0.7071067811865476,0,0],[0,0,-1,0],[0,0,0,1]],[[0.7071067811865476,-0.7071067811865475,0,0],[-0.7071067811865475,-0.7071067811865476,0,0],[0,0,-1,0],[0,0,0,1]],[[0.7071067811865476,-0.7071067811865475,0,0],[0.7071067811865475,0.7071067811865476,0,0],[0,0,1,0],[0,0,0,1]],[[-0.7071067811865474,-0.7071067811865477,0,0],[0.7071067811865477,-0.7071067811865474,0,0],[0,0,1,0],[0,0,0,1]],[[0,1,0,0],[1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[0,-1,0,0],[-1,0,0,0],[0,0,-1,0],[0,0,0,1]],[[0.7071067811865476,0.7071067811865475,0,0],[-0.7071067811865475,0.7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",0\n0,\n1,\"[[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]]\"\n2,\"[[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]],[[[[-1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]]\"\n3,\"[[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]],[[[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]]\"\n4,\"[[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]],[[[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]]]\"\n5,\"[[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]],[[[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]],[[[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]],[[[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]]]]]\"\n6,\"[[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]],[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]]]],[[[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]],[[[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]],[[[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]]]]]\"\n7,\"[[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]],[[[[-1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[-1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]],[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]]],[[[[-1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]]]]\"\n8,\"[[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]],[[[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]],[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]]],[[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]],[[[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[-1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]]]],[[[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1,0,0],[0,0,1,0],[0,0,0,1]],[[1,0,0,0],[0,-1,0,0],[0,0,1,0],[0,0,0,1]]],[[[1,0,0,0],[0,-1,0,0],[0,0,-1,0],[0,0,0,1]],[[1,0,0,0],[0,1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}, { "path": "pyxtal/database/rod.csv", "content": ",0\n0,\n1,\"[['x,y,z']]\"\n2,\"[['x,y,z', '-x,-y,-z'], ['0,0,1/2'], ['0,0,0']]\"\n3,\"[['x,y,z', 'x,-y,-z'], ['x,0,1/2'], ['x,0,0']]\"\n4,\"[['x,y,z', '-x,y,z'], ['0,y,z']]\"\n5,\"[['x,y,z', '-x,y,z+1/2']]\"\n6,\"[['x,y,z', 'x,-y,-z', '-x,-y,-z', '-x,y,z'], ['0,y,z', '0,-y,-z'], ['x,0,1/2', '-x,0,1/2'], ['x,0,0', '-x,0,0'], ['0,0,1/2'], ['0,0,0']]\"\n7,\"[['x,y,z', 'x,-y,-z+1/2', '-x,-y,-z', '-x,y,z+1/2'], ['x,0,1/4', '-x,0,3/4'], ['0,0,0', '0,0,1/2']]\"\n8,\"[['x,y,z', '-x,-y,z'], ['0,0,z']]\"\n9,\"[['x,y,z', '-x,-y,z+1/2']]\"\n10,\"[['x,y,z', 'x,y,-z'], ['x,y,1/2'], ['x,y,0']]\"\n11,\"[['x,y,z', '-x,-y,z', '-x,-y,-z', 'x,y,-z'], ['x,y,1/2', '-x,-y,1/2'], ['x,y,0', '-x,-y,0'], ['0,0,z', '0,0,-z'], ['0,0,1/2'], ['0,0,0']]\"\n12,\"[['x,y,z', '-x,-y,z+1/2', '-x,-y,-z', 'x,y,-z+1/2'], ['x,y,1/4', '-x,-y,3/4'], ['0,0,0', '0,0,1/2']]\"\n13,\"[['x,y,z', '-x,-y,z', '-x,y,-z', 'x,-y,-z'], ['0,0,z', '0,0,-z'], ['0,y,1/2', '0,-y,1/2'], 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'x-y,x,z+1/6']]\"\n55,\"[['x,y,z', '-y,x-y,z+2/3', '-x+y,-x,z+1/3', '-x,-y,z', 'y,-x+y,z+2/3', 'x-y,x,z+1/3'], ['0,0,z', '0,0,z+2/3', '0,0,z+1/3']]\"\n56,\"[['x,y,z', '-y,x-y,z', '-x+y,-x,z', '-x,-y,z+1/2', 'y,-x+y,z+1/2', 'x-y,x,z+1/2'], ['0,0,z', '0,0,z+1/2']]\"\n57,\"[['x,y,z', '-y,x-y,z+1/3', '-x+y,-x,z+2/3', '-x,-y,z', 'y,-x+y,z+1/3', 'x-y,x,z+2/3'], ['0,0,z', '0,0,z+1/3', '0,0,z+2/3']]\"\n58,\"[['x,y,z', '-y,x-y,z+2/3', '-x+y,-x,z+1/3', '-x,-y,z+1/2', 'y,-x+y,z+1/6', 'x-y,x,z+5/6']]\"\n59,\"[['x,y,z', '-y,x-y,z', '-x+y,-x,z', 'x,y,-z', '-y,x-y,-z', '-x+y,-x,-z'], ['x,y,1/2', '-y,x-y,1/2', '-x+y,-x,1/2'], ['x,y,0', '-y,x-y,0', '-x+y,-x,0'], ['0,0,z', '0,0,-z'], ['0,0,1/2'], ['0,0,0']]\"\n60,\"[['x,y,z', '-y,x-y,z', '-x+y,-x,z', '-x,-y,z', 'y,-x+y,z', 'x-y,x,z', '-x,-y,-z', 'y,-x+y,-z', 'x-y,x,-z', 'x,y,-z', '-y,x-y,-z', '-x+y,-x,-z'], ['x,y,1/2', '-y,x-y,1/2', '-x+y,-x,1/2', '-x,-y,1/2', 'y,-x+y,1/2', 'x-y,x,1/2'], ['x,y,0', '-y,x-y,0', '-x+y,-x,0', '-x,-y,0', 'y,-x+y,0', 'x-y,x,0'], ['0,0,z', '0,0,-z'], ['0,0,1/2'], ['0,0,0']]\"\n61,\"[['x,y,z', '-y,x-y,z', '-x+y,-x,z', '-x,-y,z+1/2', 'y,-x+y,z+1/2', 'x-y,x,z+1/2', '-x,-y,-z', 'y,-x+y,-z', 'x-y,x,-z', 'x,y,-z+1/2', '-y,x-y,-z+1/2', '-x+y,-x,-z+1/2'], ['x,y,1/4', '-y,x-y,1/4', '-x+y,-x,1/4', '-x,-y,3/4', 'y,-x+y,3/4', 'x-y,x,3/4'], ['0,0,z', '0,0,z+1/2', '0,0,-z', '0,0,-z+1/2'], ['0,0,0', '0,0,1/2'], ['0,0,1/4', '0,0,3/4']]\"\n62,\"[['x,y,z', '-y,x-y,z', '-x+y,-x,z', '-x,-y,z', 'y,-x+y,z', 'x-y,x,z', 'y,x,-z', 'x-y,-y,-z', '-x,-x+y,-z', '-y,-x,-z', '-x+y,y,-z', 'x,x-y,-z'], ['x,-x,1/2', 'x,2x,1/2', '-2x,-x,1/2', '-x,x,1/2', '-x,-2x,1/2', '2x,x,1/2'], ['x,-x,0', 'x,2x,0', '-2x,-x,0', '-x,x,0', '-x,-2x,0', '2x,x,0'], ['x,0,1/2', '0,x,1/2', '-x,-x,1/2', '-x,0,1/2', '0,-x,1/2', 'x,x,1/2'], ['x,0,0', '0,x,0', '-x,-x,0', '-x,0,0', '0,-x,0', 'x,x,0'], ['0,0,z', '0,0,-z'], ['0,0,1/2'], ['0,0,0']]\"\n63,\"[['x,y,z', '-y,x-y,z+1/3', '-x+y,-x,z+2/3', '-x,-y,z+1/2', 'y,-x+y,z+5/6', 'x-y,x,z+1/6', 'y,x,-z+1/3', 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'-x+y,y,-z+1/2', 'x,x-y,-z+1/2'], ['x,2x,1/4', '-2x,-x,1/4', 'x,-x,1/4', '-x,-2x,3/4', '2x,x,3/4', '-x,x,3/4'], ['x,0,0', '0,x,0', '-x,-x,0', '-x,0,1/2', '0,-x,1/2', 'x,x,1/2'], ['0,0,z', '0,0,z+1/2', '0,0,-z', '0,0,-z+1/2'], ['0,0,1/4', '0,0,3/4'], ['0,0,0', '0,0,1/2']]\"\n66,\"[['x,y,z', '-y,x-y,z+1/3', '-x+y,-x,z+2/3', '-x,-y,z', 'y,-x+y,z+1/3', 'x-y,x,z+2/3', 'y,x,-z+1/3', 'x-y,-y,-z', '-x,-x+y,-z+2/3', '-y,-x,-z+1/3', '-x+y,y,-z', 'x,x-y,-z+2/3'], ['x,2x,1/2', '-2x,-x,5/6', 'x,-x,1/6', '-x,-2x,1/2', '2x,x,5/6', '-x,x,1/6'], ['x,2x,0', '-2x,-x,1/3', 'x,-x,2/3', '-x,-2x,0', '2x,x,1/3', '-x,x,2/3'], ['x,0,1/2', '0,x,5/6', '-x,-x,1/6', '-x,0,1/2', '0,-x,5/6', 'x,x,1/6'], ['x,0,0', '0,x,1/3', '-x,-x,2/3', '-x,0,0', '0,-x,1/3', 'x,x,2/3'], ['0,0,z', '0,0,z+1/3', '0,0,z+2/3', '0,0,-z+1/3', '0,0,-z', '0,0,-z+2/3'], ['0,0,1/2', '0,0,5/6', '0,0,1/6'], ['0,0,0', '0,0,1/3', '0,0,2/3']]\"\n67,\"[['x,y,z', '-y,x-y,z+2/3', '-x+y,-x,z+1/3', '-x,-y,z+1/2', 'y,-x+y,z+1/6', 'x-y,x,z+5/6', 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'0,0,z+1/2']]\"\n71,\"[['x,y,z', '-y,x-y,z', '-x+y,-x,z', 'x,y,-z', '-y,x-y,-z', '-x+y,-x,-z', '-y,-x,z', '-x+y,y,z', 'x,x-y,z', '-y,-x,-z', '-x+y,y,-z', 'x,x-y,-z'], ['x,-x,z', 'x,2x,z', '-2x,-x,z', 'x,-x,-z', 'x,2x,-z', '-2x,-x,-z'], ['x,y,1/2', '-y,x-y,1/2', '-x+y,-x,1/2', '-y,-x,1/2', '-x+y,y,1/2', 'x,x-y,1/2'], ['x,y,0', '-y,x-y,0', '-x+y,-x,0', '-y,-x,0', '-x+y,y,0', 'x,x-y,0'], ['x,-x,1/2', 'x,2x,1/2', '-2x,-x,1/2'], ['x,-x,0', 'x,2x,0', '-2x,-x,0'], ['0,0,z', '0,0,-z'], ['0,0,1/2'], ['0,0,0']]\"\n72,\"[['x,y,z', '-y,x-y,z', '-x+y,-x,z', 'x,y,-z', '-y,x-y,-z', '-x+y,-x,-z', '-y,-x,z+1/2', '-x+y,y,z+1/2', 'x,x-y,z+1/2', '-y,-x,-z+1/2', '-x+y,y,-z+1/2', 'x,x-y,-z+1/2'], ['x,y,0', '-y,x-y,0', '-x+y,-x,0', '-y,-x,1/2', '-x+y,y,1/2', 'x,x-y,1/2'], ['x,-x,1/4', 'x,2x,1/4', '-2x,-x,1/4', 'x,-x,3/4', 'x,2x,3/4', '-2x,-x,3/4'], ['0,0,z', '0,0,-z', '0,0,z+1/2', '0,0,-z+1/2'], ['0,0,0', '0,0,1/2'], ['0,0,1/4', '0,0,3/4']]\"\n73,\"[['x,y,z', '-y,x-y,z', '-x+y,-x,z', '-x,-y,z', 'y,-x+y,z', 'x-y,x,z', 'y,x,-z', 'x-y,-y,-z', '-x,-x+y,-z', '-y,-x,-z', '-x+y,y,-z', 'x,x-y,-z', '-x,-y,-z', 'y,-x+y,-z', 'x-y,x,-z', 'x,y,-z', '-y,x-y,-z', '-x+y,-x,-z', '-y,-x,z', '-x+y,y,z', 'x,x-y,z', 'y,x,z', 'x-y,-y,z', '-x,-x+y,z'], ['x,y,1/2', '-y,x-y,1/2', '-x+y,-x,1/2', '-x,-y,1/2', 'y,-x+y,1/2', 'x-y,x,1/2', 'y,x,1/2', 'x-y,-y,1/2', '-x,-x+y,1/2', '-y,-x,1/2', '-x+y,y,1/2', 'x,x-y,1/2'], ['x,y,0', '-y,x-y,0', '-x+y,-x,0', '-x,-y,0', 'y,-x+y,0', 'x-y,x,0', 'y,x,0', 'x-y,-y,0', '-x,-x+y,0', '-y,-x,0', '-x+y,y,0', 'x,x-y,0'], ['x,2x,z', '-2x,-x,z', 'x,-x,z', '-x,-2x,z', '2x,x,z', '-x,x,z', '2x,x,-z', '-x,-2x,-z', '-x,x,-z', '-2x,-x,-z', 'x,2x,-z', 'x,-x,-z'], ['x,0,z', '0,x,z', '-x,-x,z', '-x,0,z', '0,-x,z', 'x,x,z', '0,x,-z', 'x,0,-z', '-x,-x,-z', '0,-x,-z', '-x,0,-z', 'x,x,-z'], ['x,2x,1/2', '-2x,-x,1/2', 'x,-x,1/2', '-x,-2x,1/2', '2x,x,1/2', '-x,x,1/2'], ['x,2x,0', '-2x,-x,0', 'x,-x,0', '-x,-2x,0', '2x,x,0', '-x,x,0'], ['x,0,1/2', '0,x,1/2', '-x,-x,1/2', '-x,0,1/2', '0,-x,1/2', 'x,x,1/2'], ['x,0,0', '0,x,0', '-x,-x,0', '-x,0,0', '0,-x,0', 'x,x,0'], ['0,0,z', '0,0,-z'], ['0,0,1/2'], ['0,0,0']]\"\n74,\"[['x,y,z', '-y,x-y,z', '-x+y,-x,z', '-x,-y,z', 'y,-x+y,z', 'x-y,x,z', 'y,x,-z+1/2', 'x-y,-y,-z+1/2', '-x,-x+y,-z+1/2', '-y,-x,-z+1/2', '-x+y,y,-z+1/2', 'x,x-y,-z+1/2', '-x,-y,-z', 'y,-x+y,-z', 'x-y,x,-z', 'x,y,-z', '-y,x-y,-z', '-x+y,-x,-z', '-y,-x,z+1/2', '-x+y,y,z+1/2', 'x,x-y,z+1/2', 'y,x,z+1/2', 'x-y,-y,z+1/2', '-x,-x+y,z+1/2'], ['x,y,0', '-y,x-y,0', '-x+y,-x,0', '-x,-y,0', 'y,-x+y,0', 'x-y,x,0', 'y,x,1/2', 'x-y,-y,1/2', '-x,-x+y,1/2', '-y,-x,1/2', '-x+y,y,1/2', 'x,x-y,1/2'], ['x,2x,1/4', '-2x,-x,1/4', 'x,-x,1/4', '-x,-2x,1/4', '2x,x,1/4', '-x,x,1/4', '2x,x,3/4', '-x,-2x,3/4', '-x,x,3/4', '-2x,-x,3/4', 'x,2x,3/4', 'x,-x,3/4'], ['x,0,1/4', '0,x,1/4', '-x,-x,1/4', '-x,0,1/4', '0,-x,1/4', 'x,x,1/4', '-x,0,3/4', '0,-x,3/4', 'x,x,3/4', 'x,0,3/4', '0,x,3/4', '-x,-x,3/4'], ['0,0,z', '0,0,-z+1/2', '0,0,-z', '0,0,z+1/2'], ['0,0,0', '0,0,1/2'], ['0,0,1/4', '0,0,3/4']]\"\n75,\"[['x,y,z', '-y,x-y,z', '-x+y,-x,z', '-x,-y,z+1/2', 'y,-x+y,z+1/2', 'x-y,x,z+1/2', 'y,x,-z', 'x-y,-y,-z', '-x,-x+y,-z', '-y,-x,-z+1/2', '-x+y,y,-z+1/2', 'x,x-y,-z+1/2', '-x,-y,-z', 'y,-x+y,-z', 'x-y,x,-z', 'x,y,-z+1/2', '-y,x-y,-z+1/2', '-x+y,-x,-z+1/2', '-y,-x,z', '-x+y,y,z', 'x,x-y,z', 'y,x,z+1/2', 'x-y,-y,z+1/2', '-x,-x+y,z+1/2'], ['x,2x,z', '-2x,-x,z', 'x,-x,z', '-x,-2x,z+1/2', '2x,x,z+1/2', '-x,x,z+1/2', '2x,x,-z', '-x,-2x,-z', '-x,x,-z', '-2x,-x,-z+1/2', 'x,2x,-z+1/2', 'x,-x,-z+1/2'], ['x,y,1/4', '-y,x-y,1/4', '-x+y,-x,1/4', '-x,-y,3/4', 'y,-x+y,3/4', 'x-y,x,3/4', 'y,x,3/4', 'x-y,-y,3/4', '-x,-x+y,3/4', '-y,-x,1/4', '-x+y,y,1/4', 'x,x-y,1/4'], ['x,0,0', '0,x,0', '-x,-x,0', '-x,0,1/2', '0,-x,1/2', 'x,x,1/2', '-x,0,0', '0,-x,0', 'x,x,0', 'x,0,1/2', '0,x,1/2', '-x,-x,1/2'], ['x,2x,1/4', '-2x,-x,1/4', 'x,-x,1/4', '-x,-2x,3/4', '2x,x,3/4', '-x,x,3/4'], ['0,0,z', '0,0,z+1/2', '0,0,-z', '0,0,-z+1/2'], ['0,0,1/4', '0,0,3/4'], ['0,0,0', '0,0,1/2']]\"\n" }, { "path": 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-y, z+1/2']]\"\n13,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z'], ['x, y, z']]\"\n14,\"[['x, y, z', '-x, -y, z+1/2', '-x, y, -z+1/2', 'x, -y, -z'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2']]\"\n15,\"[['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z']]\"\n16,\"[['x, y, z', '-x, -y, z', 'x, -y, z+1/2', '-x, y, z+1/2'], ['x, y, z', 'x, -y, z+1/2']]\"\n17,\"[['x, y, z', '-x, -y, z+1/2', 'x, -y, z+1/2', '-x, y, z'], ['x, y, z', '-x, -y, z+1/2']]\"\n18,\"[['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z'], ['x, y, z']]\"\n19,\"[['x, y, z', 'x, -y, -z', 'x, -y, z+1/2', 'x, y, -z+1/2'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, z+1/2']]\"\n20,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z'], ['x, y, z']]\"\n21,\"[['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', '-x, -y, -z', 'x, y, -z', 'x, -y, z+1/2', '-x, y, z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2'], ['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, y, -z+1/2']]\"\n22,\"[['x, y, z', '-x, y, -z+1/2', 'x, -y, -z', '-x, -y, z+1/2', '-x, -y, -z', 'x, -y, z+1/2', '-x, y, z', 'x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2', 'x, -y, -z', '-x, -y, z+1/2'], ['x, y, z', '-x, y, -z+1/2', 'x, -y, -z', '-x, -y, z+1/2'], ['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2'], ['x, y, z', 'x, -y, -z'], ['x, y, z', '-x, y, -z+1/2']]\"\n23,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z']]\"\n24,\"[['x, y, z', '-x, -y, z+1/2', '-y, x, z+1/4', 'y, -x, z+3/4']]\"\n25,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-y, x, z+1/2']]\"\n26,\"[['x, y, z', '-x, -y, z+1/2', '-y, x, z+3/4', 'y, -x, z+1/4']]\"\n27,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z'], ['x, y, z']]\"\n28,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, -z'], ['x, y, z'], ['x, y, z']]\"\n29,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z+1/2', '-y, x, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x, -y, -z', 'y, -x, -z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2']]\"\n30,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, y, -z'], ['x, y, z'], ['x, y, z']]\"\n31,\"[['x, y, z', '-x, -y, z+1/2', '-y, x, z+1/4', 'y, -x, z+3/4', 'x, -y, -z', '-x, y, -z+1/2', 'y, x, -z+1/4', '-y, -x, -z+3/4'], ['x, y, z', '-x, -y, z+1/2', '-y, x, z+1/4', 'y, -x, z+3/4'], ['x, y, z', '-x, -y, z+1/2', '-y, x, z+1/4', 'y, -x, z+3/4']]\"\n32,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, y, -z', 'x, -y, -z', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x, y, -z', 'y, x, -z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2']]\"\n33,\"[['x, y, z', '-x, -y, z+1/2', '-y, x, z+3/4', 'y, -x, z+1/4', 'x, -y, -z', '-x, y, -z+1/2', 'y, x, -z+3/4', '-y, -x, -z+1/4'], ['x, y, z', '-x, -y, z+1/2', '-y, x, z+3/4', 'y, -x, z+1/4'], ['x, y, z', '-x, -y, z+1/2', '-y, x, z+3/4', 'y, -x, z+1/4']]\"\n34,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z']]\"\n35,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', 'x, -y, z+1/2', '-x, y, z+1/2', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-y, x, z+1/2']]\"\n36,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z+1/2', '-x, y, z+1/2', '-y, -x, z+1/2', 'y, x, z+1/2'], ['x, y, z', 'x, -y, z+1/2']]\"\n37,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x, y, -z', 'x, -y, -z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z'], ['x, y, z']]\"\n38,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x, y, -z+1/2', 'x, -y, -z+1/2', '-y, -x, z+1/2', 'y, x, z+1/2'], ['x, y, z', 'y, -x, -z', '-x, y, -z+1/2', '-y, -x, z+1/2'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', 'y, -x, -z']]\"\n39,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, y, -z'], ['x, y, z'], ['x, y, z']]\"\n40,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x, -y, z+1/2', '-x, y, z+1/2', '-y, -x, z+1/2', 'y, x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, -y, -z']]\"\n41,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, y, -z', 'x, -y, -z', 'y, x, -z+1/2', '-y, -x, -z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z+1/2', '-y, x, -z+1/2', 'x, -y, z', '-x, y, z', '-y, -x, z+1/2', 'y, x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, y, -z', 'x, -y, -z', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, y, -z', 'x, -y, -z', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z+1/2', '-y, x, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x, y, -z', 'y, x, -z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2']]\"\n42,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z']]\"\n43,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3']]\"\n44,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3']]\"\n45,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z'], ['x, y, z']]\"\n46,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, -x, -z'], ['x, y, z'], ['x, y, z']]\"\n47,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-y, -x, -z+2/3', '-x+y, y, -z+1/3', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3']]\"\n48,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-y, -x, -z+1/3', '-x+y, y, -z+2/3', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3']]\"\n49,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z']]\"\n50,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2'], ['x, y, z', '-y, -x, z+1/2']]\"\n51,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z'], ['x, y, z']]\"\n52,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, -x, -z+1/2', '-x, -y, -z', 'y, x, z+1/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, -z']]\"\n53,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z']]\"\n54,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z+1/2', 'y, -x+y, z+5/6', 'x-y, x, z+1/6']]\"\n55,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z', 'y, -x+y, z+2/3', 'x-y, x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3']]\"\n56,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['x, y, z', '-x, -y, z+1/2']]\"\n57,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z', 'y, -x+y, z+1/3', 'x-y, x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3']]\"\n58,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z+1/2', 'y, -x+y, z+1/6', 'x-y, x, z+5/6']]\"\n59,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'x, y, -z'], ['x, y, z'], ['x, y, z']]\"\n60,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-x, -y, -z'], ['x, y, z'], ['x, y, z']]\"\n61,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['x, y, z', '-x, -y, z+1/2', '-x, -y, -z', 'x, y, -z+1/2'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2']]\"\n62,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', 'y, x, -z'], ['x, y, z'], ['x, y, z']]\"\n63,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z+1/2', 'y, -x+y, z+5/6', 'x-y, x, z+1/6', 'y, x, -z+1/3', 'x-y, -y, -z', '-x, -x+y, -z+2/3', '-y, -x, -z+5/6', '-x+y, y, -z+1/2', 'x, x-y, -z+1/6'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z+1/2', 'y, -x+y, z+5/6', 'x-y, x, z+1/6'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z+1/2', 'y, -x+y, z+5/6', 'x-y, x, z+1/6']]\"\n64,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z', 'y, -x+y, z+2/3', 'x-y, x, z+1/3', 'y, x, -z+2/3', 'x-y, -y, -z', '-x, -x+y, -z+1/3', '-y, -x, -z+2/3', '-x+y, y, -z', 'x, x-y, -z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z', 'y, -x+y, z+2/3', 'x-y, x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z', 'y, -x+y, z+2/3', 'x-y, x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z', 'y, -x+y, z+2/3', 'x-y, x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z', 'y, -x+y, z+2/3', 'x-y, x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', 'y, x, -z+2/3', 'x-y, -y, -z', '-x, -x+y, -z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3']]\"\n65,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['x, y, z', '-x, -y, z+1/2', 'y, x, -z', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2']]\"\n66,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z', 'y, -x+y, z+1/3', 'x-y, x, z+2/3', 'y, x, -z+1/3', 'x-y, -y, -z', '-x, -x+y, -z+2/3', '-y, -x, -z+1/3', '-x+y, y, -z', 'x, x-y, -z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z', 'y, -x+y, z+1/3', 'x-y, x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z', 'y, -x+y, z+1/3', 'x-y, x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z', 'y, -x+y, z+1/3', 'x-y, x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z', 'y, -x+y, z+1/3', 'x-y, x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', 'y, x, -z+1/3', 'x-y, -y, -z', '-x, -x+y, -z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3']]\"\n67,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z+1/2', 'y, -x+y, z+1/6', 'x-y, x, z+5/6', 'y, x, -z+2/3', 'x-y, -y, -z', '-x, -x+y, -z+1/3', '-y, -x, -z+1/6', '-x+y, y, -z+1/2', 'x, x-y, -z+5/6'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z+1/2', 'y, -x+y, z+1/6', 'x-y, x, z+5/6'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z+1/2', 'y, -x+y, z+1/6', 'x-y, x, z+5/6']]\"\n68,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z']]\"\n69,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['x, y, z', '-y, -x, z+1/2']]\"\n70,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['x, y, z', '-x, -y, z+1/2']]\"\n71,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'x, y, -z'], ['x, y, z'], ['x, y, z']]\"\n72,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', 'x, y, -z', '-y, -x, z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-y, -x, z+1/2'], ['x, y, z', 'x, y, -z']]\"\n73,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', 'y, x, -z'], ['x, y, z'], ['x, y, z']]\"\n74,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', 'y, x, -z+1/2', '-x, -y, -z', '-y, -x, z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', '-x, -y, -z']]\"\n75,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['x, y, z', '-x, -y, z+1/2', 'y, x, -z', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2']]\"\n" }, { "path": "pyxtal/database/rod_symmetry.csv", "content": ",0\n0,\n1,\"[[['x, y, z']]]\"\n2,\"[[['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y, -z+1']], [['x, y, z', '-x, -y, -z']]]\"\n3,\"[[['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y, -z+1']], [['x, y, z', 'x, -y, -z']]]\"\n4,\"[[['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z']]]\"\n5,\"[[['x, y, z'], ['x, y, z']]]\"\n6,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z']], [['x, y, z', 'x, -y, -z+1', '-x, -y, -z+1', '-x, y, z']], [['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z']]]\"\n7,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z+1']]]\"\n8,\"[[['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y, z']]]\"\n9,\"[[['x, y, z'], ['x, y, z']]]\"\n10,\"[[['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z']]]\"\n11,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x, -y, z', '-x, -y, -z+1', 'x, y, -z+1']], [['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z']]]\"\n12,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+3/2']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z+1']]]\"\n13,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z']], [['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z']], [['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z']]]\"\n14,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+3/2']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z+1']]]\"\n15,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z']]]\"\n16,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']]]\"\n17,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']]]\"\n18,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z']]]\"\n19,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+3/2']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z+1']]]\"\n20,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z']], [['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z']], [['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z']], [['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z']], [['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1', '-x, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x, y, z']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z']]]\"\n21,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x, y, -z+3/2']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y, -z+3/2']], [['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z+3/2', 'x, -y, -z+3/2']], [['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y, z', '-x, -y, -z+1', 'x, y, -z+1']]]\"\n22,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+3/2']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z+1']], [['x, y, z', '-x, y, -z+1/2', '-x, y, z', 'x, y, -z+1/2'], ['x, y, z', '-x, y, -z+3/2', '-x, y, z', 'x, y, -z+3/2']], [['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z'], ['x, y, z', 'x, -y, -z+1', '-x, -y, -z+1', '-x, y, z']]]\"\n23,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z']]]\"\n24,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]]\"\n25,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']]]\"\n26,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]]\"\n27,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x, -y, z', 'y, -x, -z+1', '-y, x, -z+1']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z']]]\"\n28,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z+1', 'x, y, -z+1', 'y, -x, -z+1', '-y, x, -z+1']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z']]]\"\n29,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x, -y, z', 'y, -x, -z+1/2', '-y, x, -z+1/2'], ['x, y, z', '-x, -y, z', 'y, -x, -z+3/2', '-y, x, -z+3/2']], [['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y, z', '-x, -y, -z+1', 'x, y, -z+1']]]\"\n30,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z']], [['x, y, z', 'y, x, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-y, -x, -z+1']], [['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-y, -x, -z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1', 'x, -y, -z+1', 'y, x, -z+1', '-y, -x, -z+1']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z']]]\"\n31,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, -z+1/4'], ['x, y, z', 'y, x, -z+5/4'], ['x, y, z', '-y, -x, -z+3/4'], ['x, y, z', '-y, -x, -z+7/4']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+3/2']]]\"\n32,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-y, -x, -z+1/2']], [['x, y, z', 'y, x, -z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2']], [['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x, -y, z', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', 'y, x, -z+3/2', '-y, -x, -z+3/2']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1']]]\"\n33,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, -z+7/4'], ['x, y, z', 'y, x, -z+3/4'], ['x, y, z', '-y, -x, -z+5/4'], ['x, y, z', '-y, -x, -z+1/4']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x, y, -z+1/2']]]\"\n34,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z']]]\"\n35,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z']], [['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z']]]\"\n36,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z']]]\"\n37,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z']], [['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z']], [['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z']], [['x, y, z', '-x, -y, z', 'y, -x, -z+1', '-y, x, -z+1', '-x, y, -z+1', 'x, -y, -z+1', '-y, -x, z', 'y, x, z']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x, y, -z', 'x, -y, -z', '-y, -x, z', 'y, x, z']]]\"\n38,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y, -z+3/2']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x, y, -z+3/2']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z+1', '-y, x, -z+1']], [['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z+3/2', 'x, -y, -z+3/2']]]\"\n39,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z']], [['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z'], ['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z'], ['x, y, z', '-y, -x, -z+1', 'x, y, -z+1', '-y, -x, z'], ['x, y, z', '-y, -x, -z+1', 'x, y, -z+1', '-y, -x, z']], [['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1', 'x, -y, -z+1', 'y, x, -z+1', '-y, -x, -z+1', '-x, -y, -z+1', 'x, y, -z+1', 'y, -x, -z+1', '-y, x, -z+1', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z']]]\"\n40,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x, y, -z+3/2']], [['x, y, z', 'y, x, -z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z+1', 'x, y, -z+1', 'y, -x, -z+1', '-y, x, -z+1']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+3/2', 'x, -y, -z+3/2', 'y, x, -z+3/2', '-y, -x, -z+3/2']]]\"\n41,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'y, x, -z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-y, -x, -z+1/2']], [['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z']], [['x, y, z', '-x, -y, z', 'y, x, -z+1/2', '-y, -x, -z+1/2', 'y, -x, -z+1/2', '-y, x, -z+1/2', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'y, x, -z+3/2', '-y, -x, -z+3/2', 'y, -x, -z+3/2', '-y, x, -z+3/2', 'x, -y, z', '-x, y, z']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1', '-x, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x, y, z']]]\"\n42,\"[[['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z']]]\"\n43,\"[[['x, y, z'], ['x, y, z'], ['x, y, z']]]\"\n44,\"[[['x, y, z'], ['x, y, z'], ['x, y, z']]]\"\n45,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z']]]\"\n46,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-x+y, y, -z+1'], ['x, y, z']], [['x, y, z', '-y, -x, -z'], ['x, y, z', '-x+y, y, -z'], ['x, y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+1', '-x+y, y, -z+1', 'x, x-y, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z']]]\"\n47,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, -z+5/3'], ['x, y, z', '-x+y, y, -z+1/3'], ['x, y, z']], [['x, y, z', '-y, -x, -z+2/3'], ['x, y, z', '-x+y, y, -z+4/3'], ['x, y, z']]]\"\n48,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, -z+1/3'], ['x, y, z', '-x+y, y, -z+5/3'], ['x, y, z']], [['x, y, z', '-y, -x, -z+4/3'], ['x, y, z', '-x+y, y, -z+2/3'], ['x, y, z']]]\"\n49,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z']]]\"\n50,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']]]\"\n51,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'x-y, -y, z'], ['x, y, z', 'y, x, z']], [['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-x+y, y, -z+1'], ['x, y, z'], ['x, y, z', '-y, -x, -z+1'], ['x, y, z'], ['x, y, z', 'x, x-y, -z+1']], [['x, y, z', '-y, -x, -z'], ['x, y, z', '-x+y, y, -z'], ['x, y, z'], ['x, y, z', '-y, -x, -z'], ['x, y, z'], ['x, y, z', 'x, x-y, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+1', '-x+y, y, -z+1', 'x, x-y, -z+1', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']]]\"\n52,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-x+y, y, -z+1/2'], ['x, y, z'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z'], ['x, y, z', 'x, x-y, -z+3/2']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+3/2', '-x+y, y, -z+3/2', 'x, x-y, -z+3/2']]]\"\n53,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z']]]\"\n54,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]]\"\n55,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']]]\"\n56,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']]]\"\n57,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']]]\"\n58,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]]\"\n59,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+1', '-y, x-y, -z+1', '-x+y, -x, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z']]]\"\n60,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1', 'x, y, -z+1', '-y, x-y, -z+1', '-x+y, -x, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z']]]\"\n61,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+3/2']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+3/2', '-y, x-y, -z+3/2', '-x+y, -x, -z+3/2']]]\"\n62,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-x+y, y, -z+1'], ['x, y, z'], ['x, y, z', '-y, -x, -z+1'], ['x, y, z'], ['x, y, z', 'x, x-y, -z+1']], [['x, y, z', '-y, -x, -z'], ['x, y, z', '-x+y, y, -z'], ['x, y, z'], ['x, y, z', '-y, -x, -z'], ['x, y, z'], ['x, y, z', 'x, x-y, -z']], [['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1'], ['x, y, z', 'y, x, -z+1']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z'], ['x, y, z', 'y, x, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z+1', 'x-y, -y, -z+1', '-x, -x+y, -z+1', '-y, -x, -z+1', '-x+y, y, -z+1', 'x, x-y, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z']]]\"\n63,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+y, y, -z+1/2'], ['x, y, z'], ['x, y, z', '-y, -x, -z+11/6'], ['x, y, z'], ['x, y, z', 'x, x-y, -z+1/6'], ['x, y, z', '-y, -x, -z+5/6']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z+2/3'], ['x, y, z', 'y, x, -z+4/3'], ['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+5/3'], ['x, y, z', 'y, x, -z+1/3']]]\"\n64,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+y, y, -z+1'], ['x, y, z'], ['x, y, z', '-y, -x, -z+5/3'], ['x, y, z'], ['x, y, z', 'x, x-y, -z+1/3'], ['x, y, z', '-y, -x, -z+5/3']], [['x, y, z', '-x+y, y, -z'], ['x, y, z'], ['x, y, z', '-y, -x, -z+2/3'], ['x, y, z'], ['x, y, z', 'x, x-y, -z+4/3'], ['x, y, z', '-y, -x, -z+2/3']], [['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1/3'], ['x, y, z', 'y, x, -z+5/3'], ['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1/3'], ['x, y, z', 'y, x, -z+5/3']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z+4/3'], ['x, y, z', 'y, x, -z+2/3'], ['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z+4/3'], ['x, y, z', 'y, x, -z+2/3']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x, -y, z', 'x-y, -y, -z+1', '-x+y, y, -z+1'], ['x, y, z', '-x, -y, z', '-x, -x+y, -z+1/3', 'x, x-y, -z+1/3'], ['x, y, z', '-x, -y, z', 'y, x, -z+5/3', '-y, -x, -z+5/3']], [['x, y, z', '-x, -y, z', 'x-y, -y, -z', '-x+y, y, -z'], ['x, y, z', '-x, -y, z', '-x, -x+y, -z+4/3', 'x, x-y, -z+4/3'], ['x, y, z', '-x, -y, z', 'y, x, -z+2/3', '-y, -x, -z+2/3']]]\"\n65,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+y, y, -z+1/2'], ['x, y, z'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z'], ['x, y, z', 'x, x-y, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1'], ['x, y, z', 'y, x, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+3/2', '-x+y, y, -z+3/2', 'x, x-y, -z+3/2']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1', 'x-y, -y, -z+1', '-x, -x+y, -z+1']]]\"\n66,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+y, y, -z+1'], ['x, y, z'], ['x, y, z', '-y, -x, -z+1/3'], ['x, y, z'], ['x, y, z', 'x, x-y, -z+5/3'], ['x, y, z', '-y, -x, -z+1/3']], [['x, y, z', '-x+y, y, -z'], ['x, y, z'], ['x, y, z', '-y, -x, -z+4/3'], ['x, y, z'], ['x, y, z', 'x, x-y, -z+2/3'], ['x, y, z', '-y, -x, -z+4/3']], [['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+5/3'], ['x, y, z', 'y, x, -z+1/3'], ['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+5/3'], ['x, y, z', 'y, x, -z+1/3']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z+2/3'], ['x, y, z', 'y, x, -z+4/3'], ['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z+2/3'], ['x, y, z', 'y, x, -z+4/3']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x, -y, z', 'x-y, -y, -z+1', '-x+y, y, -z+1'], ['x, y, z', '-x, -y, z', '-x, -x+y, -z+5/3', 'x, x-y, -z+5/3'], ['x, y, z', '-x, -y, z', 'y, x, -z+1/3', '-y, -x, -z+1/3']], [['x, y, z', '-x, -y, z', 'x-y, -y, -z', '-x+y, y, -z'], ['x, y, z', '-x, -y, z', '-x, -x+y, -z+2/3', 'x, x-y, -z+2/3'], ['x, y, z', '-x, -y, z', 'y, x, -z+4/3', '-y, -x, -z+4/3']]]\"\n67,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+y, y, -z+3/2'], ['x, y, z'], ['x, y, z', '-y, -x, -z+1/6'], ['x, y, z'], ['x, y, z', 'x, x-y, -z+11/6'], ['x, y, z', '-y, -x, -z+7/6']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z+4/3'], ['x, y, z', 'y, x, -z+2/3'], ['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1/3'], ['x, y, z', 'y, x, -z+5/3']]]\"\n68,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z'], ['x, y, z', '-y, -x, z'], ['x, y, z'], ['x, y, z', 'x, x-y, z']], [['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']]]\"\n69,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z']]]\"\n70,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z'], ['x, y, z', '-y, -x, z'], ['x, y, z'], ['x, y, z', 'x, x-y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z']]]\"\n71,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'x, y, -z+1', '-y, -x, z', '-y, -x, -z+1'], ['x, y, z', 'x, y, -z+1', '-x+y, y, z', '-x+y, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z', '-y, -x, z', '-y, -x, -z'], ['x, y, z', 'x, y, -z', '-x+y, y, z', '-x+y, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+1', '-y, x-y, -z+1', '-x+y, -x, -z+1', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', '-y, -x, -z+1', '-x+y, y, -z+1', 'x, x-y, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z']]]\"\n72,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-x+y, y, -z+1/2'], ['x, y, z'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', '-x+y, y, -z+3/2'], ['x, y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+1', '-y, x-y, -z+1', '-x+y, -x, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+3/2', '-x+y, y, -z+3/2', 'x, x-y, -z+3/2']]]\"\n73,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-x+y, y, z'], ['x, y, z'], ['x, y, z', '-y, -x, z'], ['x, y, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z'], ['x, y, z', '-y, -x, z'], ['x, y, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', '-y, -x, z']], [['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'x-y, -y, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'x-y, -y, z'], ['x, y, z', 'y, x, z']], [['x, y, z', '-x+y, y, -z+1', 'x, y, -z+1', '-x+y, y, z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', '-y, -x, -z+1', 'x, y, -z+1', '-y, -x, z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, x-y, -z+1', 'x, y, -z+1', 'x, x-y, z'], ['x, y, z', '-y, -x, -z+1', 'x, y, -z+1', '-y, -x, z']], [['x, y, z', '-x+y, y, -z', 'x, y, -z', '-x+y, y, z'], ['x, y, z', 'x, y, -z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, x-y, -z', 'x, y, -z', 'x, x-y, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z']], [['x, y, z', 'x-y, -y, -z+1', 'x, y, -z+1', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, -z+1', 'x, y, -z+1', '-x, -x+y, z'], ['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z'], ['x, y, z', 'x-y, -y, -z+1', 'x, y, -z+1', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, -z+1', 'x, y, -z+1', '-x, -x+y, z'], ['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z']], [['x, y, z', 'x-y, -y, -z', 'x, y, -z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, -z', 'x, y, -z', '-x, -x+y, z'], ['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', 'x-y, -y, -z', 'x, y, -z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, -z', 'x, y, -z', '-x, -x+y, z'], ['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z+1', 'x-y, -y, -z+1', '-x, -x+y, -z+1', '-y, -x, -z+1', '-x+y, y, -z+1', 'x, x-y, -z+1', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1', 'x, y, -z+1', '-y, x-y, -z+1', '-x+y, -x, -z+1', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']]]\"\n74,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', '-x+y, y, -z+1/2'], ['x, y, z'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z'], ['x, y, z', 'x, x-y, -z+1/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', 'x, x-y, -z+3/2'], ['x, y, z'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z'], ['x, y, z', '-x+y, y, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2']], [['x, y, z', 'x-y, -y, -z+1/2'], ['x, y, z', '-x, -x+y, -z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', 'x-y, -y, -z+1/2'], ['x, y, z', '-x, -x+y, -z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', 'x-y, -y, -z+3/2'], ['x, y, z', '-x, -x+y, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', 'x-y, -y, -z+3/2'], ['x, y, z', '-x, -x+y, -z+3/2'], ['x, y, z', 'y, x, -z+3/2']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1', 'x, y, -z+1', '-y, x-y, -z+1', '-x+y, -x, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', '-y, -x, 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2,1\r\n6,38,0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2,1\r\n6,38,0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,38,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,5\r\n6,38,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,39,0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2,1\r\n6,39,0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2,1\r\n6,39,0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,39,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,39,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,39,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,40,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-2-2-2-2,1\r\n6,40,0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2,16\r\n6,40,0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2,1\r\n6,40,0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2,10\r\n6,40,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,40,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,3\r\n6,41,0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2,2\r\n6,41,0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2,1\r\n6,42,0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-2-2-2-2-2-2-2-2,1\r\n6,42,0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2,1\r\n6,42,0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2,4\r\n6,42,0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2,7\r\n6,42,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,43,0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2,3\r\n6,43,0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2,4\r\n6,43,0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,43,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,43,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,44,0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2,1\r\n6,44,0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2,4\r\n6,45,0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2,1\r\n6,45,0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,45,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,45,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,45,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,46,0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,46,1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,47,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,47,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,48,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-2-2-2-2-2,1\r\n6,48,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-2-2-2-2-2-2,1\r\n6,48,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2,1\r\n6,48,0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2,1\r\n6,48,0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,2\r\n6,48,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,49,0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2,3\r\n6,50,0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2,3\r\n6,50,0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,50,0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,50,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,5\r\n6,52,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-2-2-2,1\r\n6,52,0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,52,0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,30\r\n6,52,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,53,0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,54,0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2,1\r\n6,54,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2,28\r\n6,55,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-2-2-2-2-2-2-2-2,1\r\n6,56,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-2-2-2-2,1\r\n6,56,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-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1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,2\r\n8,140,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1,2\r\n8,140,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,2\r\n8,140,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,10\r\n8,140,0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,6\r\n8,142,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1,1\r\n8,142,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1,2\r\n8,142,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,3\r\n8,144,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,146,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,150,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,152,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,152,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,154,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,158,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,158,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,160,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,160,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,162,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,2\r\n8,162,1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,164,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,2\r\n8,166,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,166,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,3\r\n8,168,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,5\r\n8,168,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,8\r\n8,172,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,3\r\n8,174,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1,1\r\n8,174,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,176,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,178,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,178,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,178,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,180,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,2\r\n8,184,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,186,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,186,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,188,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,190,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,190,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1,1\r\n8,192,0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-0-1-1-1-1-1-1-1-1-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[\n \"p1\",\n \"p-1\",\n \"p211\",\n \"pm11\",\n \"pc11\",\n \"p2/m11\",\n \"p2/c11\",\n \"p112\",\n \"p1121\",\n \"p11m\",\n \"p112/m\",\n \"p1121/m\",\n \"p222\",\n \"p2221\",\n \"pmm2\",\n \"pcc2\",\n \"pmc21\",\n \"p2mm\",\n \"p2cm\",\n \"pmmm\",\n \"pccm\",\n \"pmcm\",\n \"p4\",\n \"p41\",\n \"p42\",\n \"p43\",\n \"p-4\",\n \"p4/m\",\n \"p42/m\",\n \"p422\",\n \"p4122\",\n \"p4222\",\n \"p4322\",\n \"p4mm\",\n \"p42cm\",\n \"p4cc\",\n \"p-42m\",\n \"p-42c\",\n \"p4/mmm\",\n \"p4/mcc\",\n \"p42/mmc\",\n \"p3\",\n \"p31\",\n \"p32\",\n \"p-3\",\n \"p312\",\n \"p3112\",\n \"p3212\",\n \"p3m1\",\n \"p3c1\",\n \"p-31m\",\n \"p-31c\",\n \"p6\",\n \"p61\",\n \"p62\",\n \"p63\",\n \"p64\",\n \"p65\",\n \"p-6\",\n \"p6/m\",\n \"p63/m\",\n \"p622\",\n \"p6122\",\n \"p6222\",\n \"p6322\",\n \"p6422\",\n \"p6522\",\n \"p6mm\",\n \"p6cc\",\n \"p63mc\",\n \"p-6m2\",\n \"p-6c2\",\n \"p6/mmm\",\n \"p6/mcc\",\n \"p6/mmc\"\n ],\n \"point_group\": [\n \"C1\",\n \"Ci\",\n \"C2\",\n \"Cs\",\n 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\"-z,x,y+1/2\", \"y,z+1/2,-x\", \"-y,z,x+1/2\", \"y+1/2,-z,x\", \"-y+1/2,-z+1/2,-x+1/2\"]]]}}" }, { "path": "pyxtal/database/test.cif", "content": "data_image0\n_chemical_formula_structural H24C20O6S2\n_chemical_formula_sum \"H24 C20 O6 S2\"\n_cell_length_a 3.94065\n_cell_length_b 10.8821\n_cell_length_c 12.1897\n_cell_angle_alpha 78.2042\n_cell_angle_beta 90.4306\n_cell_angle_gamma 85.7905\n\n_space_group_name_H-M_alt \"P 1\"\n_space_group_IT_number 1\n\nloop_\n _space_group_symop_operation_xyz\n 'x, y, z'\n\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n H H1 1.0 0.42733 0.34277 0.85575 1.0000\n H H2 1.0 0.05569 0.18516 0.97082 1.0000\n H H3 1.0 0.47301 0.17193 0.02474 1.0000\n H H4 1.0 0.48561 0.41004 0.97424 1.0000\n H H5 1.0 0.07643 0.42074 0.91176 1.0000\n H H6 1.0 0.92357 0.57926 0.08824 1.0000\n H H7 1.0 0.27814 0.02956 0.55835 1.0000\n H H8 1.0 0.13949 0.25988 0.58485 1.0000\n H H9 1.0 0.60331 0.54051 0.64740 1.0000\n H H10 1.0 0.20495 0.47182 0.67628 1.0000\n H H11 1.0 0.26692 0.57543 0.54428 1.0000\n H H12 1.0 0.12584 0.68176 0.88753 1.0000\n H H13 1.0 0.70916 0.69505 0.83669 1.0000\n H H14 1.0 0.94431 0.81484 0.02918 1.0000\n H H15 1.0 0.52699 0.82807 0.97526 1.0000\n H H16 1.0 0.51439 0.58996 0.02576 1.0000\n H H17 1.0 0.29084 0.30495 0.16331 1.0000\n H H18 1.0 0.87416 0.31824 0.11247 1.0000\n H H19 1.0 0.57267 0.65723 0.14425 1.0000\n H H20 1.0 0.79505 0.52818 0.32372 1.0000\n H H21 1.0 0.39669 0.45949 0.35260 1.0000\n H H22 1.0 0.86051 0.74012 0.41515 1.0000\n H H23 1.0 0.72186 0.97044 0.44165 1.0000\n H H24 1.0 0.73308 0.42457 0.45572 1.0000\n C C1 1.0 0.99021 0.91289 0.30415 1.0000\n C C2 1.0 0.67258 0.44516 0.36550 1.0000\n C C3 1.0 0.68992 0.64130 0.06669 1.0000\n C C4 1.0 0.76135 0.76511 0.98914 1.0000\n C C5 1.0 0.89271 0.74531 0.87557 1.0000\n C C6 1.0 0.32742 0.55484 0.63450 1.0000\n C C7 1.0 0.84623 0.99795 0.36214 1.0000\n C C8 1.0 0.27232 0.77219 0.63653 1.0000\n C C9 1.0 0.00386 0.22467 0.66321 1.0000\n C C10 1.0 0.99614 0.77533 0.33679 1.0000\n C C11 1.0 0.00979 0.08711 0.69585 1.0000\n C C12 1.0 0.15377 0.00205 0.63786 1.0000\n C C13 1.0 0.12553 0.87436 0.69115 1.0000\n C C14 1.0 0.96090 0.86337 0.79265 1.0000\n C C15 1.0 0.03910 0.13663 0.20735 1.0000\n C C16 1.0 0.10729 0.25469 0.12443 1.0000\n C C17 1.0 0.23865 0.23489 0.01086 1.0000\n C C18 1.0 0.31008 0.35870 0.93331 1.0000\n C C19 1.0 0.87447 0.12564 0.30885 1.0000\n C C20 1.0 0.72768 0.22781 0.36347 1.0000\n O O1 1.0 0.19108 0.65654 0.68457 1.0000\n O O2 1.0 0.54705 0.20728 0.44454 1.0000\n O O3 1.0 0.80892 0.34346 0.31543 1.0000\n O O4 1.0 0.45295 0.79272 0.55546 1.0000\n O O5 1.0 0.86379 0.29667 0.71567 1.0000\n O O6 1.0 0.13621 0.70333 0.28433 1.0000\n S S1 1.0 0.82922 0.01076 0.81647 1.0000\n S S2 1.0 0.17078 0.98924 0.18353 1.0000\n\n" }, { "path": "pyxtal/database/wyckoff_generators.csv", "content": ",0\n0,\n1,\"[['x, y, z']]\"\n2,\"[['x, y, z', '-x, -y, -z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n3,\"[['x, y, z', '-x, y, -z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n4,\"[['x, y, z', '-x, y+1/2, -z']]\"\n5,\"[['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z'], ['x, y, z', 'x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z']]\"\n6,\"[['x, y, z', 'x, -y, z'], ['x, y, z'], ['x, y, z']]\"\n7,\"[['x, y, z', 'x, -y, z+1/2']]\"\n8,\"[['x, y, z', 'x, -y, z', 'x+1/2, y+1/2, z', 'x+1/2, -y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z']]\"\n9,\"[['x, y, z', 'x, -y, z+1/2', 'x+1/2, y+1/2, z', 'x+1/2, -y+1/2, z+1/2']]\"\n10,\"[['x, y, z', '-x, y, -z', '-x, -y, -z', 'x, -y, z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n11,\"[['x, y, z', '-x, y+1/2, -z', '-x, -y, -z', 'x, -y+1/2, z'], ['x, y, z', '-x, y+1/2, -z'], ['x, y, z', '-x, y+1/2, -z'], ['x, y, z', '-x, y+1/2, -z'], ['x, y, z', '-x, y+1/2, -z'], ['x, y, z', '-x, y+1/2, -z']]\"\n12,\"[['x, y, z', '-x, y, -z', '-x, -y, -z', 'x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z', '-x+1/2, -y+1/2, -z', 'x+1/2, -y+1/2, z'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', '-x, y, -z', '-x, -y, -z', 'x, -y, z'], ['x, y, z', '-x, y, -z', '-x, -y, -z', 'x, -y, z'], ['x, y, z', 'x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z']]\"\n13,\"[['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2']]\"\n14,\"[['x, y, z', '-x, y+1/2, -z+1/2', '-x, -y, -z', 'x, -y+1/2, z+1/2'], ['x, y, z', '-x, y+1/2, -z+1/2'], ['x, y, z', '-x, y+1/2, -z+1/2'], ['x, y, z', '-x, y+1/2, -z+1/2'], ['x, y, z', '-x, y+1/2, -z+1/2']]\"\n15,\"[['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z+1/2', '-x+1/2, -y+1/2, -z', 'x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2'], ['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2'], ['x, y, z', '-x, y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z+1/2'], ['x, y, z', '-x, y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z+1/2']]\"\n16,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n17,\"[['x, y, z', '-x, -y, z+1/2', '-x, y, -z+1/2', 'x, -y, -z'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2']]\"\n18,\"[['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, y+1/2, -z']]\"\n19,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z']]\"\n20,\"[['x, y, z', '-x, -y, z+1/2', '-x, y, -z+1/2', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-x, -y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z+1/2']]\"\n21,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z']]\"\n22,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2'], ['x, y, z', '-x, y, -z', 'x, y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x, -y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', 'x, y+1/2, z+1/2', 'x+1/2, y, z+1/2', 'x+1/2, y+1/2, z'], ['x, y, z', 'x, y+1/2, z+1/2', 'x+1/2, y, z+1/2', 'x+1/2, y+1/2, z']]\"\n23,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2']]\"\n24,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z']]\"\n25,\"[['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n26,\"[['x, y, z', '-x, -y, z+1/2', 'x, -y, z+1/2', '-x, y, z'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2']]\"\n27,\"[['x, y, z', '-x, -y, z', 'x, -y, z+1/2', '-x, y, z+1/2'], ['x, y, z', 'x, -y, z+1/2'], ['x, y, z', 'x, -y, z+1/2'], ['x, y, z', 'x, -y, z+1/2'], ['x, y, z', 'x, -y, z+1/2']]\"\n28,\"[['x, y, z', '-x, -y, z', 'x+1/2, -y, z', '-x+1/2, y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', 'x+1/2, -y, z'], ['x, y, z', 'x+1/2, -y, z']]\"\n29,\"[['x, y, z', '-x, -y, z+1/2', 'x+1/2, -y, z', '-x+1/2, y, z+1/2']]\"\n30,\"[['x, y, z', '-x, -y, z', 'x, -y+1/2, z+1/2', '-x, y+1/2, z+1/2'], ['x, y, z', 'x, -y+1/2, z+1/2'], ['x, y, z', 'x, -y+1/2, z+1/2']]\"\n31,\"[['x, y, z', '-x+1/2, -y, z+1/2', 'x+1/2, -y, z+1/2', '-x, y, z'], ['x, y, z', '-x+1/2, -y, z+1/2']]\"\n32,\"[['x, y, z', '-x, -y, z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, -y+1/2, z'], ['x, y, z', 'x+1/2, -y+1/2, z']]\"\n33,\"[['x, y, z', '-x, -y, z+1/2', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z+1/2']]\"\n34,\"[['x, y, z', '-x, -y, z', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2'], ['x, y, z', 'x+1/2, -y+1/2, z+1/2'], ['x, y, z', 'x+1/2, -y+1/2, z+1/2']]\"\n35,\"[['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', 'x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z']]\"\n36,\"[['x, y, z', '-x, -y, z+1/2', 'x, -y, z+1/2', '-x, y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z'], ['x, y, z', '-x, -y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z+1/2']]\"\n37,\"[['x, y, z', '-x, -y, z', 'x, -y, z+1/2', '-x, y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'x, -y, z+1/2', '-x, y, z+1/2'], ['x, y, z', 'x, -y, z+1/2', 'x+1/2, y+1/2, z', 'x+1/2, -y+1/2, z+1/2'], ['x, y, z', 'x, -y, z+1/2', 'x+1/2, y+1/2, z', 'x+1/2, -y+1/2, z+1/2']]\"\n38,\"[['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x, -y+1/2, z+1/2', '-x, y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2'], ['x, y, z', 'x, y+1/2, z+1/2'], ['x, y, z', 'x, y+1/2, z+1/2']]\"\n39,\"[['x, y, z', '-x, -y, z', 'x, -y+1/2, z', '-x, y+1/2, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x, -y+1, z+1/2', '-x, y+1, z+1/2'], ['x, y, z', '-x, -y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2'], ['x, y, z', 'x, -y+1/2, z', 'x, y+1/2, z+1/2', 'x, -y+1, z+1/2'], ['x, y, z', 'x, -y+1/2, z', 'x, y+1/2, z+1/2', 'x, -y+1, z+1/2']]\"\n40,\"[['x, y, z', '-x, -y, z', 'x+1/2, -y, z', '-x+1/2, y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2'], ['x, y, z', 'x+1/2, -y, z', 'x, y+1/2, z+1/2', 'x+1/2, -y+1/2, z+1/2']]\"\n41,\"[['x, y, z', '-x, -y, z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x+1/2, -y+1, z+1/2', '-x+1/2, y+1, z+1/2'], ['x, y, z', 'x+1/2, -y+1/2, z', 'x, y+1/2, z+1/2', 'x+1/2, -y+1, z+1/2']]\"\n42,\"[['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x, -y+1/2, z+1/2', '-x, y+1/2, z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', 'x+1/2, -y, z+1/2', '-x+1/2, y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['x, y, z', '-x, -y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x, -y+1/2, z+1/2', '-x, y+1/2, z+1/2'], ['x, y, z', 'x, y+1/2, z+1/2', 'x+1/2, y, z+1/2', 'x+1/2, y+1/2, z']]\"\n43,\"[['x, y, z', '-x, -y, z', 'x+1/4, -y+1/4, z+1/4', '-x+1/4, y+1/4, z+1/4', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x+1/4, -y+3/4, z+3/4', '-x+1/4, y+3/4, z+3/4', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', 'x+3/4, -y+1/4, z+3/4', '-x+3/4, y+1/4, z+3/4', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', 'x+3/4, -y+3/4, z+1/4', '-x+3/4, y+3/4, z+1/4'], ['x, y, z', 'x+1/4, -y+1/4, z+1/4', 'x, y+1/2, z+1/2', 'x+1/4, -y+3/4, z+3/4', 'x+1/2, y, z+1/2', 'x+3/4, -y+1/4, z+3/4', 'x+1/2, y+1/2, z', 'x+3/4, -y+3/4, z+1/4']]\"\n44,\"[['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2']]\"\n45,\"[['x, y, z', '-x, -y, z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'x+1, -y+1, z+1/2', '-x+1, y+1, z+1/2'], ['x, y, z', 'x+1/2, -y+1/2, z', 'x+1/2, y+1/2, z+1/2', 'x+1, -y+1, z+1/2'], ['x, y, z', 'x+1/2, -y+1/2, z', 'x+1/2, y+1/2, z+1/2', 'x+1, -y+1, z+1/2']]\"\n46,\"[['x, y, z', '-x, -y, z', 'x+1/2, -y, z', '-x+1/2, y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'x+1, -y+1/2, z+1/2', '-x+1, y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2'], ['x, y, z', 'x+1/2, -y, z', 'x+1/2, y+1/2, z+1/2', 'x+1, -y+1/2, z+1/2']]\"\n47,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n48,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y, z+1/2', '-x, y+1/2, z+1/2'], ['x, y, z', '-x+1/2, y, -z+1/2', '-x, -y, -z', 'x+1/2, -y, z+1/2'], ['x, y, z', '-x+1/2, y, -z+1/2', '-x, -y, -z', 'x+1/2, -y, z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z']]\"\n49,\"[['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', '-x, -y, -z', 'x, y, -z', 'x, -y, z+1/2', '-x, y, z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2'], ['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2'], ['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2'], ['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2'], ['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2']]\"\n50,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z', 'x, -y+1/2, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y, z', '-x, y+1/2, z'], ['x, y, z', '-x+1/2, y, -z', '-x, -y, -z', 'x+1/2, -y, z'], ['x, y, z', '-x+1/2, y, -z', '-x, -y, -z', 'x+1/2, -y, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z', 'x, -y+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z', 'x, -y+1/2, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z']]\"\n51,\"[['x, y, z', '-x+1/2, -y, z', '-x, y, -z', 'x+1/2, -y, -z', '-x, -y, -z', 'x+1/2, y, -z', 'x, -y, z', '-x+1/2, y, z'], ['x, y, z', '-x+1/2, -y, z', '-x, y, -z', 'x+1/2, -y, -z'], ['x, y, z', '-x+1/2, -y, z', '-x, y, -z', 'x+1/2, -y, -z'], ['x, y, z', '-x+1/2, -y, z', '-x, y, -z', 'x+1/2, -y, -z'], ['x, y, z', '-x+1/2, -y, z', '-x, -y, -z', 'x+1/2, y, -z'], ['x, y, z', '-x+1/2, -y, z', '-x, -y, -z', 'x+1/2, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x+1/2, -y, z'], ['x, y, z', '-x+1/2, -y, z'], ['x, y, z', '-x+1/2, -y, z'], ['x, y, z', '-x+1/2, -y, z']]\"\n52,\"[['x, y, z', '-x+1/2, -y, z', '-x+1/2, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', '-x, -y, -z', 'x+1/2, y, -z', 'x+1/2, -y+1/2, z+1/2', '-x, y+1/2, z+1/2'], ['x, y, z', '-x+1/2, -y, z', '-x, -y, -z', 'x+1/2, y, -z'], ['x, y, z', '-x+1/2, y+1/2, -z+1/2', '-x, -y, -z', 'x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-x+1/2, -y, z', '-x+1/2, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y, z', '-x+1/2, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2']]\"\n53,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x, -y, -z', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x+1/2, -y, z+1/2', '-x, y, z'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x, -y, -z'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, -y, -z', 'x+1/2, y, -z+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, -y, -z', 'x+1/2, y, -z+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, -y, -z', 'x+1/2, y, -z+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2']]\"\n54,\"[['x, y, z', '-x+1/2, -y, z', '-x, y, -z+1/2', 'x+1/2, -y, -z+1/2', '-x, -y, -z', 'x+1/2, y, -z', 'x, -y, z+1/2', '-x+1/2, y, z+1/2'], ['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2'], ['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2'], ['x, y, z', '-x+1/2, -y, z', '-x, -y, -z', 'x+1/2, y, -z'], ['x, y, z', '-x+1/2, -y, z', '-x, y, -z+1/2', 'x+1/2, -y, -z+1/2'], ['x, y, z', '-x+1/2, -y, z', '-x, y, -z+1/2', 'x+1/2, -y, -z+1/2']]\"\n55,\"[['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x, y, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x+1/2, y+1/2, -z', '-x, -y, -z', 'x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, y+1/2, -z', '-x, -y, -z', 'x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, y+1/2, -z']]\"\n56,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-x, y+1/2, -z+1/2', 'x+1/2, -y, -z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'x, -y+1/2, z+1/2', '-x+1/2, y, z+1/2'], ['x, y, z', '-x, y+1/2, -z+1/2', '-x, -y, -z', 'x, -y+1/2, z+1/2'], ['x, y, z', '-x, y+1/2, -z+1/2', '-x, -y, -z', 'x, -y+1/2, z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, y+1/2, -z+1/2', 'x+1/2, -y, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, y+1/2, -z+1/2', 'x+1/2, -y, -z+1/2']]\"\n57,\"[['x, y, z', '-x, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z', '-x, -y, -z', 'x, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x, y+1/2, z'], ['x, y, z', '-x, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z'], ['x, y, z', '-x, -y, z+1/2', '-x, -y, -z', 'x, y, -z+1/2'], ['x, y, z', '-x, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z'], ['x, y, z', '-x, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z']]\"\n58,\"[['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', '-x, -y, -z', 'x, y, -z', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, y+1/2, -z+1/2', '-x, -y, -z', 'x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-x+1/2, y+1/2, -z+1/2', '-x, -y, -z', 'x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-x+1/2, y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, y+1/2, -z+1/2']]\"\n59,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-x, y+1/2, -z', 'x+1/2, -y, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'x, -y+1/2, z', '-x+1/2, y, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, y+1/2, -z', 'x+1/2, -y, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, y+1/2, -z', 'x+1/2, -y, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, y+1/2, -z', 'x+1/2, -y, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x, y+1/2, -z', 'x+1/2, -y, -z'], ['x, y, z', '-x, y+1/2, -z'], ['x, y, z', '-x, y+1/2, -z']]\"\n60,\"[['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-x, y, -z+1/2', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z+1/2', 'x, -y, z+1/2', '-x+1/2, y+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-x, y, -z+1/2', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-x, y, -z+1/2', 'x+1/2, -y+1/2, -z']]\"\n61,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z']]\"\n62,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z', 'x+1/2, -y+1/2, -z+1/2', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z', '-x+1/2, y+1/2, z+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z', 'x+1/2, -y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z', 'x+1/2, -y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z', 'x+1/2, -y+1/2, -z+1/2']]\"\n63,\"[['x, y, z', '-x, -y, z+1/2', '-x, y, -z+1/2', 'x, -y, -z', '-x, -y, -z', 'x, y, -z+1/2', 'x, -y, z+1/2', '-x, y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z'], ['x, y, z', '-x, -y, z+1/2', '-x, y, -z+1/2', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z+1/2', '-x, y, -z+1/2', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z+1/2', '-x, -y, -z', 'x, y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, -z+1/2'], ['x, y, z', '-x, -y, z+1/2', '-x, y, -z+1/2', 'x, -y, -z', '-x, -y, -z', 'x, y, -z+1/2', 'x, -y, z+1/2', '-x, y, z'], ['x, y, z', '-x, -y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-x, -y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-x, -y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z+1/2']]\"\n64,\"[['x, y, z', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y, -z', '-x, -y, -z', 'x, y+1/2, -z+1/2', 'x, -y+1/2, z+1/2', '-x, y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z+1/2', '-x+1/2, y+1, -z+1/2', 'x+1/2, -y+1/2, -z', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1, -z+1/2', 'x+1/2, -y+1, z+1/2', '-x+1/2, y+1/2, z'], ['x, y, z', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z+1/2', '-x+1/2, y+1, -z+1/2', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y, -z', '-x, -y, -z', 'x, y+1/2, -z+1/2', 'x, -y+1/2, z+1/2', '-x, y, z'], ['x, y, z', '-x, -y+1/2, z+1/2', '-x, -y, -z', 'x, y+1/2, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z+1/2', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1, -z+1/2'], ['x, y, z', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y, -z', '-x, -y, -z', 'x, y+1/2, -z+1/2', 'x, -y+1/2, z+1/2', '-x, y, z'], ['x, y, z', '-x, -y+1/2, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z+1/2'], ['x, y, z', '-x, -y+1/2, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z+1/2']]\"\n65,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', 'x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z'], ['x, y, z', 'x+1/2, y+1/2, z']]\"\n66,\"[['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', '-x, -y, -z', 'x, y, -z', 'x, -y, z+1/2', '-x, y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', '-x, -y, -z', 'x, y, -z', 'x, -y, z+1/2', '-x, y, z+1/2'], ['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z+1/2', '-x+1/2, -y+1/2, -z', 'x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z+1/2', '-x+1/2, -y+1/2, -z', 'x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z+1/2'], ['x, y, z', '-x, y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z+1/2'], ['x, y, z', '-x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, -z']]\"\n67,\"[['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z', '-x, -y, -z', 'x, y+1/2, -z', 'x, -y+1/2, z', '-x, y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z', '-x+1/2, y+1, -z', 'x+1/2, -y+1/2, -z', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1, -z', 'x+1/2, -y+1, z', '-x+1/2, y+1/2, z'], ['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z', '-x+1/2, y+1, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z', '-x+1/2, y+1, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z', '-x, -y, -z', 'x, y+1/2, -z', 'x, -y+1/2, z', '-x, y, z'], ['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z', '-x, -y, -z', 'x, y+1/2, -z', 'x, -y+1/2, z', '-x, y, z'], ['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z', '-x, -y, -z', 'x, y+1/2, -z', 'x, -y+1/2, z', '-x, y, z'], ['x, y, z', '-x, -y+1/2, z', '-x, -y, -z', 'x, y+1/2, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1, -z'], ['x, y, z', '-x, -y+1/2, z', '-x, -y, -z', 'x, y+1/2, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1, -z'], ['x, y, z', '-x, y+1/2, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1, -z'], ['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z'], ['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z'], ['x, y, z', '-x, -y+1/2, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z'], ['x, y, z', '-x, -y+1/2, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z'], ['x, y, z', '-x, -y+1/2, z', '-x, -y, -z', 'x, y+1/2, -z'], ['x, y, z', '-x, -y+1/2, z', '-x, -y, -z', 'x, y+1/2, -z']]\"\n68,\"[['x, y, z', '-x+1/2, -y, z', '-x, y, -z+1/2', 'x+1/2, -y, -z+1/2', '-x, -y, -z', 'x+1/2, y, -z', 'x, -y, z+1/2', '-x+1/2, y, z+1/2', 'x+1/2, y+1/2, z', '-x+1, -y+1/2, z', '-x+1/2, y+1/2, -z+1/2', 'x+1, -y+1/2, -z+1/2', '-x+1/2, -y+1/2, -z', 'x+1, y+1/2, -z', 'x+1/2, -y+1/2, z+1/2', '-x+1, y+1/2, z+1/2'], ['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z+1/2', '-x+1/2, -y+1/2, -z', 'x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-x+1/2, -y, z', '-x, y, -z+1/2', 'x+1/2, -y, -z+1/2', '-x, -y, -z', 'x+1/2, y, -z', 'x, -y, z+1/2', '-x+1/2, y, z+1/2'], ['x, y, z', '-x+1/2, -y, z', '-x, -y, -z', 'x+1/2, y, -z', 'x+1/2, y+1/2, z', '-x+1, -y+1/2, z', '-x+1/2, -y+1/2, -z', 'x+1, y+1/2, -z'], ['x, y, z', '-x+1/2, -y, z', '-x, y, -z+1/2', 'x+1/2, -y, -z+1/2', '-x, -y, -z', 'x+1/2, y, -z', 'x, -y, z+1/2', '-x+1/2, y, z+1/2'], ['x, y, z', '-x+1/2, -y, z', '-x, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1, -y+1/2, z', '-x+1/2, y+1/2, -z+1/2', 'x+1, -y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y, z', '-x, y, -z+1/2', 'x+1/2, -y, -z+1/2', '-x, -y, -z', 'x+1/2, y, -z', 'x, -y, z+1/2', '-x+1/2, y, z+1/2'], ['x, y, z', '-x+1/2, -y, z', '-x, -y, -z', 'x+1/2, y, -z'], ['x, y, z', '-x+1/2, -y, z', '-x, -y, -z', 'x+1/2, y, -z']]\"\n69,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', '-x, -y+1/2, -z+1/2', 'x, y+1/2, -z+1/2', 'x, -y+1/2, z+1/2', '-x, y+1/2, z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', '-x+1/2, -y, -z+1/2', 'x+1/2, y, -z+1/2', 'x+1/2, -y, z+1/2', '-x+1/2, y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', '-x+1/2, -y, -z+1/2', 'x+1/2, y, -z+1/2', 'x+1/2, -y, z+1/2', '-x+1/2, y, z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', '-x, -y+1/2, -z+1/2', 'x, y+1/2, -z+1/2', 'x, -y+1/2, z+1/2', '-x, y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', '-x, -y+1/2, -z+1/2', 'x, y+1/2, -z+1/2', 'x, -y+1/2, z+1/2', '-x, y+1/2, z+1/2'], ['x, y, z', '-x, y, -z', 'x, y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x, -y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2'], ['x, y, z', 'x, y+1/2, z+1/2', 'x+1/2, y, z+1/2', 'x+1/2, y+1/2, z'], ['x, y, z', 'x, y+1/2, z+1/2', 'x+1/2, y, z+1/2', 'x+1/2, y+1/2, z']]\"\n70,\"[['x, y, z', '-x+3/4, -y+3/4, z', '-x+3/4, y, -z+3/4', 'x, -y+3/4, -z+3/4', '-x, -y, -z', 'x+1/4, y+1/4, -z', 'x+1/4, -y, z+1/4', '-x, y+1/4, z+1/4', 'x, y+1/2, z+1/2', '-x+3/4, -y+5/4, z+1/2', '-x+3/4, y+1/2, -z+5/4', 'x, -y+5/4, -z+5/4', '-x, -y+1/2, -z+1/2', 'x+1/4, y+3/4, -z+1/2', 'x+1/4, -y+1/2, z+3/4', '-x, y+3/4, z+3/4', 'x+1/2, y, z+1/2', '-x+5/4, -y+3/4, z+1/2', '-x+5/4, y, -z+5/4', 'x+1/2, -y+3/4, -z+5/4', '-x+1/2, -y, -z+1/2', 'x+3/4, y+1/4, -z+1/2', 'x+3/4, -y, z+3/4', '-x+1/2, y+1/4, z+3/4', 'x+1/2, y+1/2, z', '-x+5/4, -y+5/4, z', '-x+5/4, y+1/2, -z+3/4', 'x+1/2, -y+5/4, -z+3/4', '-x+1/2, -y+1/2, -z', 'x+3/4, y+3/4, -z', 'x+3/4, -y+1/2, z+1/4', '-x+1/2, y+3/4, z+1/4'], ['x, y, z', '-x+3/4, -y+3/4, z', '-x+3/4, y, -z+3/4', 'x, -y+3/4, -z+3/4', '-x, -y, -z', 'x+1/4, y+1/4, -z', 'x+1/4, -y, z+1/4', '-x, y+1/4, z+1/4', 'x, y+1/2, z+1/2', '-x+3/4, -y+5/4, z+1/2', '-x+3/4, y+1/2, -z+5/4', 'x, -y+5/4, -z+5/4', '-x, -y+1/2, -z+1/2', 'x+1/4, y+3/4, -z+1/2', 'x+1/4, -y+1/2, z+3/4', '-x, y+3/4, z+3/4'], ['x, y, z', '-x+3/4, -y+3/4, z', '-x+3/4, y, -z+3/4', 'x, -y+3/4, -z+3/4', '-x, -y, -z', 'x+1/4, y+1/4, -z', 'x+1/4, -y, z+1/4', '-x, y+1/4, z+1/4', 'x, y+1/2, z+1/2', '-x+3/4, -y+5/4, z+1/2', '-x+3/4, y+1/2, -z+5/4', 'x, -y+5/4, -z+5/4', '-x, -y+1/2, -z+1/2', 'x+1/4, y+3/4, -z+1/2', 'x+1/4, -y+1/2, z+3/4', '-x, y+3/4, z+3/4'], ['x, y, z', '-x+3/4, -y+3/4, z', '-x+3/4, y, -z+3/4', 'x, -y+3/4, -z+3/4', '-x, -y, -z', 'x+1/4, y+1/4, -z', 'x+1/4, -y, z+1/4', '-x, y+1/4, z+1/4', 'x+1/2, y, z+1/2', '-x+5/4, -y+3/4, z+1/2', '-x+5/4, y, -z+5/4', 'x+1/2, -y+3/4, -z+5/4', '-x+1/2, -y, -z+1/2', 'x+3/4, y+1/4, -z+1/2', 'x+3/4, -y, z+3/4', '-x+1/2, y+1/4, z+3/4'], ['x, y, z', '-x+3/4, -y+3/4, z', '-x+3/4, y, -z+3/4', 'x, -y+3/4, -z+3/4', 'x+1/4, y+1/4, -z', 'x+1/4, -y, z+1/4', '-x, y+1/4, z+1/4', 'x, y+1/2, z+1/2', '-x+3/4, -y+5/4, z+1/2', '-x+3/4, y+1/2, -z+5/4', 'x+1/4, y+3/4, -z+1/2', 'x+1/4, -y+1/2, z+3/4', 'x+1/2, y, z+1/2', 'x+1/2, -y+3/4, -z+5/4', '-x+1/2, y+1/4, z+3/4', 'x+1/2, y+1/2, z'], ['x, y, z', '-x+3/4, -y+3/4, z', '-x+3/4, y, -z+3/4', 'x, -y+3/4, -z+3/4', 'x+1/4, y+1/4, -z', 'x+1/4, -y, z+1/4', '-x, y+1/4, z+1/4', 'x, y+1/2, z+1/2', '-x+3/4, -y+5/4, z+1/2', '-x+3/4, y+1/2, -z+5/4', 'x+1/4, y+3/4, -z+1/2', 'x+1/4, -y+1/2, z+3/4', 'x+1/2, y, z+1/2', 'x+1/2, -y+3/4, -z+5/4', '-x+1/2, y+1/4, z+3/4', 'x+1/2, y+1/2, z'], ['x, y, z', '-x+3/4, -y+3/4, z', '-x+3/4, y, -z+3/4', 'x, -y+3/4, -z+3/4', '-x, -y, -z', 'x+1/4, y+1/4, -z', 'x+1/4, -y, z+1/4', '-x, y+1/4, z+1/4'], ['x, y, z', '-x+3/4, -y+3/4, z', '-x+3/4, y, -z+3/4', 'x, -y+3/4, -z+3/4', '-x, -y, -z', 'x+1/4, y+1/4, -z', 'x+1/4, -y, z+1/4', '-x, y+1/4, z+1/4']]\"\n71,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2']]\"\n72,\"[['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x, y, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1, y+1, -z+1/2', 'x+1, -y+1, -z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1/2, -z+1/2', 'x+1, -y+1, z+1/2', '-x+1, y+1, z+1/2'], ['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1, y+1, -z+1/2', 'x+1, -y+1, -z+1/2'], ['x, y, z', '-x+1/2, y+1/2, -z', '-x, -y, -z', 'x+1/2, -y+1/2, z', 'x+1/2, y+1/2, z+1/2', '-x+1, y+1, -z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1, -y+1, z+1/2'], ['x, y, z', '-x+1/2, y+1/2, -z', '-x, -y, -z', 'x+1/2, -y+1/2, z', 'x+1/2, y+1/2, z+1/2', '-x+1, y+1, -z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1, -y+1, z+1/2'], ['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x, y, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x, y, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x, y, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['x, y, z', '-x+1/2, y+1/2, -z', 'x+1/2, y+1/2, z+1/2', '-x+1, y+1, -z+1/2'], ['x, y, z', '-x+1/2, y+1/2, -z', 'x+1/2, y+1/2, z+1/2', '-x+1, y+1, -z+1/2'], ['x, y, z', '-x+1/2, y+1/2, -z', '-x, -y, -z', 'x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, y+1/2, -z', '-x, -y, -z', 'x+1/2, -y+1/2, z']]\"\n73,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1, y+1/2, -z+1', 'x+1/2, -y+1, z+1', '-x+1, y+1, z+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2']]\"\n74,\"[['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z', '-x, -y, -z', 'x, y+1/2, -z', 'x, -y+1/2, z', '-x, y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1, z+1/2', '-x+1/2, y+1, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1, -z+1/2', 'x+1/2, -y+1, z+1/2', '-x+1/2, y+1/2, z+1/2'], ['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1, z+1/2', '-x+1/2, y+1, -z+1/2', 'x+1/2, -y+1/2, -z+1/2'], ['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1, z+1/2', '-x+1/2, y+1, -z+1/2', 'x+1/2, -y+1/2, -z+1/2'], ['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z', '-x, -y, -z', 'x, y+1/2, -z', 'x, -y+1/2, z', '-x, y, z'], ['x, y, z', '-x, -y+1/2, z', '-x, -y, -z', 'x, y+1/2, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1, z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1, -z+1/2'], ['x, y, z', '-x, y+1/2, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, y+1, -z+1/2'], ['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z'], ['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z'], ['x, y, z', '-x, -y+1/2, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1, z+1/2'], ['x, y, z', '-x, -y+1/2, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1, z+1/2']]\"\n75,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-y, x, z'], ['x, y, z'], ['x, y, z']]\"\n76,\"[['x, y, z', '-x, -y, z+1/2', '-y, x, z+1/4', 'y, -x, z+3/4']]\"\n77,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2']]\"\n78,\"[['x, y, z', '-x, -y, z+1/2', '-y, x, z+3/4', 'y, -x, z+1/4']]\"\n79,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-y, x, z', 'x+1/2, y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2']]\"\n80,\"[['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1, z+1', '-y+1/2, x+1, z+3/4', 'y+1, -x+1/2, z+5/4'], ['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4']]\"\n81,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n82,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', 'y, -x, -z', 'x+1/2, y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2'], ['x, y, z', 'y, -x, -z', 'x+1/2, y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'x+1/2, y+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2']]\"\n83,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-y, x, z', '-x, -y, -z', 'y, -x, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-y, x, z'], ['x, y, z', '-y, x, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n84,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z+1/2', '-y, x, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x, -y, -z', 'y, -x, -z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x, -y, -z', 'y, -x, -z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x, -y, -z', 'y, -x, -z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2']]\"\n85,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z'], ['x, y, z', '-y+1/2, x, z', '-x, -y, -z', 'y+1/2, -x, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-y+1/2, x, z'], ['x, y, z', '-y+1/2, x, z']]\"\n86,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y, x+1/2, z+1/2', 'y+1/2, -x, z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y, -x+1/2, -z+1/2', '-y+1/2, x, -z+1/2'], ['x, y, z', '-y, x+1/2, z+1/2', '-x, -y, -z', 'y, -x+1/2, -z+1/2'], ['x, y, z', '-y, x+1/2, z+1/2', '-x, -y, -z', 'y, -x+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y, x+1/2, z+1/2', 'y+1/2, -x, z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y, x+1/2, z+1/2', 'y+1/2, -x, z+1/2'], ['x, y, z', '-y, x+1/2, z+1/2'], ['x, y, z', '-y, x+1/2, z+1/2']]\"\n87,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1/2, -z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-y, x, z', '-x, -y, -z', 'y, -x, -z', 'x+1/2, y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, -z+1/2'], ['x, y, z', '-y, x, z', '-x, -y, -z', 'y, -x, -z'], ['x, y, z', '-y, x, z', 'x+1/2, y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2']]\"\n88,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-y+3/4, x+1/4, z+1/4', 'y+3/4, -x+3/4, z+3/4', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'y+1/4, -x+3/4, -z+3/4', '-y+1/4, x+1/4, -z+1/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-y+5/4, x+3/4, z+3/4', 'y+5/4, -x+5/4, z+5/4', '-x+1/2, -y+1/2, -z+1/2', 'x+1, y+1/2, -z+1', 'y+3/4, -x+5/4, -z+5/4', '-y+3/4, x+3/4, -z+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+3/4, x+1/4, z+1/4', 'y+3/4, -x+3/4, z+3/4', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'y+1/4, -x+3/4, -z+3/4', '-y+1/4, x+1/4, -z+1/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+3/4, x+1/4, z+1/4', 'y+3/4, -x+3/4, z+3/4', 'y+1/4, -x+3/4, -z+3/4', '-y+1/4, x+1/4, -z+1/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+3/4, x+1/4, z+1/4', 'y+3/4, -x+3/4, z+3/4', 'y+1/4, -x+3/4, -z+3/4', '-y+1/4, x+1/4, -z+1/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+3/4, x+1/4, z+1/4', 'y+3/4, -x+3/4, z+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+3/4, x+1/4, z+1/4', 'y+3/4, -x+3/4, z+3/4']]\"\n89,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-y, x, z', '-x, y, -z', 'y, x, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-y, x, z'], ['x, y, z', '-y, x, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n90,\"[['x, y, z', '-x, -y, z', '-y+1/2, x+1/2, z', 'y+1/2, -x+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y+1/2, x+1/2, z', 'y+1/2, -x+1/2, z'], ['x, y, z', '-x, -y, z', '-y+1/2, x+1/2, z', 'y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, x+1/2, z', '-x+1/2, y+1/2, -z', 'y, x, -z'], ['x, y, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-y+1/2, x+1/2, z'], ['x, y, z', '-y+1/2, x+1/2, z']]\"\n91,\"[['x, y, z', '-x, -y, z+1/2', '-y, x, z+1/4', 'y, -x, z+3/4', '-x, y, -z', 'x, -y, -z+1/2', 'y, x, -z+3/4', '-y, -x, -z+1/4'], ['x, y, z', '-x, -y, z+1/2', '-y, x, z+1/4', 'y, -x, z+3/4'], ['x, y, z', '-x, -y, z+1/2', '-y, x, z+1/4', 'y, -x, z+3/4'], ['x, y, z', '-x, -y, z+1/2', '-y, x, z+1/4', 'y, -x, z+3/4']]\"\n92,\"[['x, y, z', '-x, -y, z+1/2', '-y+1/2, x+1/2, z+1/4', 'y+1/2, -x+1/2, z+3/4', '-x+1/2, y+1/2, -z+1/4', 'x+1/2, -y+1/2, -z+3/4', 'y, x, -z', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z+1/2', '-y+1/2, x+1/2, z+1/4', 'y+1/2, -x+1/2, z+3/4']]\"\n93,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, y, -z', 'x, -y, -z', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x, y, -z', 'y, x, -z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x, y, -z', 'y, x, -z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x, y, -z', 'y, x, -z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2']]\"\n94,\"[['x, y, z', '-x, -y, z', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-x, -y, z', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-y+1/2, x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'y, x, -z'], ['x, y, z', '-y+1/2, x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'y, x, -z'], ['x, y, z', '-y+1/2, x+1/2, z+1/2'], ['x, y, z', '-y+1/2, x+1/2, z+1/2']]\"\n95,\"[['x, y, z', '-x, -y, z+1/2', '-y, x, z+3/4', 'y, -x, z+1/4', '-x, y, -z', 'x, -y, -z+1/2', 'y, x, -z+1/4', '-y, -x, -z+3/4'], ['x, y, z', '-x, -y, z+1/2', '-y, x, z+3/4', 'y, -x, z+1/4'], ['x, y, z', '-x, -y, z+1/2', '-y, x, z+3/4', 'y, -x, z+1/4'], ['x, y, z', '-x, -y, z+1/2', '-y, x, z+3/4', 'y, -x, z+1/4']]\"\n96,\"[['x, y, z', '-x, -y, z+1/2', '-y+1/2, x+1/2, z+3/4', 'y+1/2, -x+1/2, z+1/4', '-x+1/2, y+1/2, -z+3/4', 'x+1/2, -y+1/2, -z+1/4', 'y, x, -z', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z+1/2', '-y+1/2, x+1/2, z+3/4', 'y+1/2, -x+1/2, z+1/4']]\"\n97,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-y, x, z', '-x, y, -z', 'y, x, -z', 'x+1/2, y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2'], ['x, y, z', '-y, x, z', '-x, y, -z', 'y, x, -z'], ['x, y, z', '-y, x, z', 'x+1/2, y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2']]\"\n98,\"[['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4', '-x+1/2, y, -z+3/4', 'x, -y+1/2, -z+1/4', 'y+1/2, x+1/2, -z+1/2', '-y, -x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1, z+1', '-y+1/2, x+1, z+3/4', 'y+1, -x+1/2, z+5/4', '-x+1, y+1/2, -z+5/4', 'x+1/2, -y+1, -z+3/4', 'y+1, x+1, -z+1', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1, z+1', '-y+1/2, x+1, z+3/4', 'y+1, -x+1/2, z+5/4'], ['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1, z+1', '-y+1/2, x+1, z+3/4', 'y+1, -x+1/2, z+5/4'], ['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4', '-x+1/2, y, -z+3/4', 'x, -y+1/2, -z+1/4', 'y+1/2, x+1/2, -z+1/2', '-y, -x, -z'], ['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4', '-x+1/2, y, -z+3/4', 'x, -y+1/2, -z+1/4', 'y+1/2, x+1/2, -z+1/2', '-y, -x, -z'], ['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4'], ['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4']]\"\n99,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-y, x, z'], ['x, y, z'], ['x, y, z']]\"\n100,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', '-y+1/2, -x+1/2, z', 'y+1/2, x+1/2, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-y, x, z'], ['x, y, z', 'x+1/2, -y+1/2, z']]\"\n101,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', 'x, -y, z+1/2', '-x, y, z+1/2', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-y, x, z+1/2', 'x, -y, z+1/2', '-y, -x, z'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2']]\"\n102,\"[['x, y, z', '-x, -y, z', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-y+1/2, x+1/2, z+1/2', 'x+1/2, -y+1/2, z+1/2', '-y, -x, z'], ['x, y, z', '-y+1/2, x+1/2, z+1/2']]\"\n103,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z+1/2', '-x, y, z+1/2', '-y, -x, z+1/2', 'y, x, z+1/2'], ['x, y, z', '-y, x, z', 'x, -y, z+1/2', '-y, -x, z+1/2'], ['x, y, z', 'x, -y, z+1/2'], ['x, y, z', 'x, -y, z+1/2']]\"\n104,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['x, y, z', '-y, x, z', 'x+1/2, -y+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2'], ['x, y, z', 'x+1/2, -y+1/2, z+1/2']]\"\n105,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', 'x, -y, z', '-x, y, z', '-y, -x, z+1/2', 'y, x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2']]\"\n106,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['x, y, z', '-y, x, z+1/2', 'x+1/2, -y+1/2, z', '-y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-y, x, z+1/2', 'x+1/2, -y+1/2, z', '-y+1/2, -x+1/2, z+1/2']]\"\n107,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-y, x, z', 'x+1/2, y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2']]\"\n108,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z+1/2', '-x, y, z+1/2', '-y, -x, z+1/2', 'y, x, z+1/2', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', 'x+1/2, -y+1/2, z+1', '-x+1/2, y+1/2, z+1', '-y+1/2, -x+1/2, z+1', 'y+1/2, x+1/2, z+1'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z+1/2', '-x, y, z+1/2', '-y, -x, z+1/2', 'y, x, z+1/2'], ['x, y, z', '-y, x, z', 'x, -y, z+1/2', '-y, -x, z+1/2'], ['x, y, z', 'x, -y, z+1/2', 'x+1/2, y+1/2, z+1/2', 'x+1/2, -y+1/2, z+1']]\"\n109,\"[['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4', 'x, -y, z', '-x+1/2, y+1/2, z+1/2', '-y, -x+1/2, z+1/4', 'y+1/2, x, z+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1, z+1', '-y+1/2, x+1, z+3/4', 'y+1, -x+1/2, z+5/4', 'x+1/2, -y+1/2, z+1/2', '-x+1, y+1, z+1', '-y+1/2, -x+1, z+3/4', 'y+1, x+1/2, z+5/4'], ['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4', 'x, -y, z', '-x+1/2, y+1/2, z+1/2', '-y+1/2, x+1, z+3/4', 'y+1, -x+1/2, z+5/4'], ['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4']]\"\n110,\"[['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4', 'x, -y, z+1/2', '-x+1/2, y+1/2, z', '-y, -x+1/2, z+3/4', 'y+1/2, x, z+1/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1, z+1', '-y+1/2, x+1, z+3/4', 'y+1, -x+1/2, z+5/4', 'x+1/2, -y+1/2, z+1', '-x+1, y+1, z+1/2', '-y+1/2, -x+1, z+5/4', 'y+1, x+1/2, z+3/4'], ['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4', 'x, -y, z+1/2', '-x+1/2, y+1/2, z', '-y, -x+1/2, z+3/4', 'y+1/2, x, z+1/4']]\"\n111,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x, y, -z', 'x, -y, -z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', 'y, -x, -z', '-x, y, -z', '-y, -x, z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n112,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x, y, -z+1/2', 'x, -y, -z+1/2', '-y, -x, z+1/2', 'y, x, z+1/2'], ['x, y, z', 'y, -x, -z', '-x, y, -z+1/2', '-y, -x, z+1/2'], ['x, y, z', 'y, -x, -z', '-x, y, -z+1/2', '-y, -x, z+1/2'], ['x, y, z', 'y, -x, -z', '-x, y, -z+1/2', '-y, -x, z+1/2'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z']]\"\n113,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-y+1/2, -x+1/2, z', 'y+1/2, x+1/2, z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', 'y, -x, -z', '-x+1/2, y+1/2, -z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, y+1/2, -z']]\"\n114,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['x, y, z', 'y, -x, -z', '-x+1/2, y+1/2, -z+1/2', '-y+1/2, -x+1/2, z+1/2'], ['x, y, z', 'y, -x, -z', '-x+1/2, y+1/2, -z+1/2', '-y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-x+1/2, y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, y+1/2, -z+1/2']]\"\n115,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n116,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x, -y, z+1/2', '-x, y, z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', 'y, -x, -z', 'x, -y, z+1/2', 'y, x, -z+1/2'], ['x, y, z', 'y, -x, -z', 'x, -y, z+1/2', 'y, x, -z+1/2'], ['x, y, z', 'y, -x, -z', 'x, -y, z+1/2', 'y, x, -z+1/2'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', 'x, -y, z+1/2'], ['x, y, z', 'x, -y, z+1/2'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z']]\"\n117,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', 'y+1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', 'y, -x, -z', 'x+1/2, -y+1/2, z', 'y+1/2, x+1/2, -z'], ['x, y, z', 'y, -x, -z', 'x+1/2, -y+1/2, z', 'y+1/2, x+1/2, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'x+1/2, -y+1/2, z'], ['x, y, z', 'x+1/2, -y+1/2, z']]\"\n118,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', 'y, -x, -z', 'x+1/2, -y+1/2, z+1/2', 'y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', 'y, -x, -z', 'x+1/2, -y+1/2, z+1/2', 'y+1/2, x+1/2, -z+1/2'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'x+1/2, -y+1/2, z+1/2'], ['x, y, z', 'x+1/2, -y+1/2, z+1/2']]\"\n119,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', 'y, x, -z', '-y, -x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', 'y, -x, -z', 'x+1/2, y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2'], ['x, y, z', 'y, -x, -z', 'x+1/2, y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'y, -x, -z'], ['x, y, z', 'x+1/2, y+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2']]\"\n120,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x, -y, z+1/2', '-x, y, z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1', '-x+1/2, y+1/2, z+1', 'y+1/2, x+1/2, -z+1', '-y+1/2, -x+1/2, -z+1'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x, -y, z+1/2', '-x, y, z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', 'y, -x, -z', 'x, -y, z+1/2', 'y, x, -z+1/2', 'x+1/2, y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1', 'y+1/2, x+1/2, -z+1'], ['x, y, z', 'y, -x, -z', 'x, -y, z+1/2', 'y, x, -z+1/2', 'x+1/2, y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1', 'y+1/2, x+1/2, -z+1'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', 'y, -x, -z', 'x, -y, z+1/2', 'y, x, -z+1/2'], ['x, y, z', 'y, -x, -z', 'x, -y, z+1/2', 'y, x, -z+1/2'], ['x, y, z', 'x, -y, z+1/2', 'x+1/2, y+1/2, z+1/2', 'x+1/2, -y+1/2, z+1'], ['x, y, z', 'y, -x, -z', 'x+1/2, y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2']]\"\n121,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x, y, -z', 'x, -y, -z', '-y, -x, z', 'y, x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', 'y, -x, -z', '-x, y, -z', '-y, -x, z', 'x+1/2, y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-x+1/2, y+1/2, -z+1/2', '-y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', 'y, -x, -z', 'x+1/2, y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2'], ['x, y, z', 'y, -x, -z', '-x, y, -z', '-y, -x, z'], ['x, y, z', 'y, -x, -z', 'x+1/2, y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2']]\"\n122,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x+1/2, y, -z+3/4', 'x+1/2, -y, -z+3/4', '-y+1/2, -x, z+3/4', 'y+1/2, x, z+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', '-x+1, y+1/2, -z+5/4', 'x+1, -y+1/2, -z+5/4', '-y+1, -x+1/2, z+5/4', 'y+1, x+1/2, z+5/4'], ['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x+1/2, y, -z+3/4', 'x+1/2, -y, -z+3/4', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', 'y, -x, -z', '-x+1/2, y, -z+3/4', '-y+1/2, -x, z+3/4', 'x+1/2, y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-x+1, y+1/2, -z+5/4', '-y+1, -x+1/2, z+5/4'], ['x, y, z', '-x+1/2, y, -z+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1, y+1/2, -z+5/4'], ['x, y, z', '-x+1/2, y, -z+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1, y+1/2, -z+5/4']]\"\n123,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-y, x, z', '-x, y, -z', 'y, x, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-y, x, z'], ['x, y, z', '-y, x, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n124,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x, -y, z+1/2', '-x, y, z+1/2', '-y, -x, z+1/2', 'y, x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-y, x, z', '-x, y, -z+1/2', 'y, x, -z+1/2', '-x, -y, -z', 'y, -x, -z', 'x, -y, z+1/2', '-y, -x, z+1/2'], ['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2'], ['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2'], ['x, y, z', '-y, x, z', '-x, -y, -z', 'y, -x, -z'], ['x, y, z', '-y, x, z', '-x, y, -z+1/2', 'y, x, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, -y, -z']]\"\n125,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x+1/2, y, -z', 'x, -y+1/2, -z', 'y, x, -z', '-y+1/2, -x+1/2, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z', 'x+1/2, -y, z', '-x, y+1/2, z', '-y, -x, z', 'y+1/2, x+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x+1/2, y, -z', 'x, -y+1/2, -z', 'y, x, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z'], ['x, y, z', '-y+1/2, x, z', '-x+1/2, y, -z', 'y, x, -z'], ['x, y, z', '-x+1/2, y, -z', '-x, -y, -z', 'x+1/2, -y, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-y+1/2, x, z'], ['x, y, z', '-y+1/2, x, z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z']]\"\n126,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'y, x, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z', 'x+1/2, -y, z+1/2', '-x, y+1/2, z+1/2', '-y, -x, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z'], ['x, y, z', '-y+1/2, x, z', '-x+1/2, y, -z+1/2', 'y, x, -z+1/2', '-x, -y, -z', 'y+1/2, -x, -z', 'x+1/2, -y, z+1/2', '-y, -x, z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'y, x, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+1/2', '-x, -y, -z', 'x+1/2, -y, z+1/2'], ['x, y, z', '-y+1/2, x, z', '-x+1/2, y, -z+1/2', 'y, x, -z+1/2'], ['x, y, z', '-y+1/2, x, z', '-x, -y, -z', 'y+1/2, -x, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z']]\"\n127,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'y+1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', '-y+1/2, -x+1/2, z', 'y+1/2, x+1/2, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'y+1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'y+1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'y+1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-y, x, z', '-x+1/2, y+1/2, -z', 'y+1/2, x+1/2, -z'], ['x, y, z', '-x+1/2, y+1/2, -z', '-x, -y, -z', 'x+1/2, -y+1/2, z'], ['x, y, z', '-y, x, z'], ['x, y, z', '-y, x, z'], ['x, y, z', '-x+1/2, y+1/2, -z'], ['x, y, z', '-x+1/2, y+1/2, -z']]\"\n128,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-y, x, z', '-x+1/2, y+1/2, -z+1/2', 'y+1/2, x+1/2, -z+1/2', '-x, -y, -z', 'y, -x, -z', 'x+1/2, -y+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-x+1/2, y+1/2, -z+1/2', '-x, -y, -z', 'x+1/2, -y+1/2, z+1/2'], ['x, y, z', '-y, x, z', '-x, -y, -z', 'y, -x, -z'], ['x, y, z', '-y, x, z', '-x+1/2, y+1/2, -z+1/2', 'y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-x+1/2, y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, y+1/2, -z+1/2']]\"\n129,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, y+1/2, -z', 'x+1/2, -y, -z', 'y+1/2, x+1/2, -z', '-y, -x, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z', 'x, -y+1/2, z', '-x+1/2, y, z', '-y+1/2, -x+1/2, z', 'y, x, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, y+1/2, -z', 'x+1/2, -y, -z', 'y+1/2, x+1/2, -z', '-y, -x, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, y+1/2, -z', 'x+1/2, -y, -z', 'y+1/2, x+1/2, -z', '-y, -x, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z'], ['x, y, z', '-y+1/2, x, z', '-x, y+1/2, -z', 'y+1/2, x+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-x, y+1/2, -z'], ['x, y, z', '-y+1/2, x, z'], ['x, y, z', '-y+1/2, x, z']]\"\n130,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, y+1/2, -z+1/2', 'x+1/2, -y, -z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y, -x, -z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z', 'x, -y+1/2, z+1/2', '-x+1/2, y, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y, x, z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z'], ['x, y, z', '-y+1/2, x, z', '-x, y+1/2, -z+1/2', 'y+1/2, x+1/2, -z+1/2', '-x, -y, -z', 'y+1/2, -x, -z', 'x, -y+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, y+1/2, -z+1/2', 'x+1/2, -y, -z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, y+1/2, -z+1/2', '-x, -y, -z', 'x, -y+1/2, z+1/2'], ['x, y, z', '-y+1/2, x, z', '-x, y+1/2, -z+1/2', 'y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, x, z', '-x, -y, -z', 'y+1/2, -x, -z']]\"\n131,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, y, -z', 'x, -y, -z', 'y, x, -z+1/2', '-y, -x, -z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z+1/2', '-y, x, -z+1/2', 'x, -y, z', '-x, y, z', '-y, -x, z+1/2', 'y, x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, y, -z', 'x, -y, -z', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, y, -z', 'x, -y, -z', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, y, -z', 'x, -y, -z', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z+1/2', '-y, x, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x, y, -z', 'y, x, -z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x, y, -z', 'y, x, -z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x, y, -z', 'y, x, -z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2']]\"\n132,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, x, -z', '-y, -x, -z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z+1/2', '-y, x, -z+1/2', 'x, -y, z+1/2', '-x, y, z+1/2', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z+1/2', '-y, x, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z+1/2', '-y, x, -z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x, y, -z+1/2', 'y, x, -z', '-x, -y, -z', 'y, -x, -z+1/2', 'x, -y, z+1/2', '-y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x, y, -z+1/2', 'y, x, -z'], ['x, y, z', '-y, x, z+1/2', '-x, y, -z+1/2', 'y, x, -z'], ['x, y, z', '-y, x, z+1/2', '-x, y, -z+1/2', 'y, x, -z'], ['x, y, z', '-y, x, z+1/2', '-x, -y, -z', 'y, -x, -z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2'], ['x, y, z', '-y, x, z+1/2']]\"\n133,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x+1/2, y, -z', 'x, -y+1/2, -z', 'y, x, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2', 'x+1/2, -y, z', '-x, y+1/2, z', '-y, -x, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, x, z+1/2', '-x+1/2, y, -z', 'y, x, -z+1/2', '-x, -y, -z', 'y+1/2, -x, -z+1/2', 'x+1/2, -y, z', '-y, -x, z+1/2'], ['x, y, z', '-y+1/2, x, z+1/2', '-x+1/2, y, -z', 'y, x, -z+1/2', '-x, -y, -z', 'y+1/2, -x, -z+1/2', 'x+1/2, -y, z', '-y, -x, z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x+1/2, y, -z', 'x, -y+1/2, -z', 'y, x, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, x, z+1/2', '-x+1/2, y, -z', 'y, x, -z+1/2'], ['x, y, z', '-y+1/2, x, z+1/2', '-x, -y, -z', 'y+1/2, -x, -z+1/2'], ['x, y, z', '-y+1/2, x, z+1/2', '-x, -y, -z', 'y+1/2, -x, -z+1/2'], ['x, y, z', '-y+1/2, x, z+1/2', '-x, -y, -z', 'y+1/2, -x, -z+1/2']]\"\n134,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'y, x, -z', '-y+1/2, -x+1/2, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2', 'x+1/2, -y, z+1/2', '-x, y+1/2, z+1/2', '-y, -x, z', 'y+1/2, x+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'y, x, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, x, z+1/2', '-x+1/2, y, -z+1/2', 'y, x, -z', '-x, -y, -z', 'y+1/2, -x, -z+1/2', 'x+1/2, -y, z+1/2', '-y, -x, z'], ['x, y, z', '-y+1/2, x, z+1/2', '-x+1/2, y, -z+1/2', 'y, x, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2'], ['x, y, z', '-y+1/2, x, z+1/2', '-x, -y, -z', 'y+1/2, -x, -z+1/2'], ['x, y, z', '-y+1/2, x, z+1/2', '-x, -y, -z', 'y+1/2, -x, -z+1/2'], ['x, y, z', '-y+1/2, x, z+1/2'], ['x, y, z', '-y+1/2, x, z+1/2']]\"\n135,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z+1/2', '-y, x, -z+1/2', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z+1/2', '-y, x, -z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x+1/2, y+1/2, -z', 'y+1/2, x+1/2, -z+1/2', '-x, -y, -z', 'y, -x, -z+1/2', 'x+1/2, -y+1/2, z', '-y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x+1/2, y+1/2, -z', 'y+1/2, x+1/2, -z+1/2', '-x, -y, -z', 'y, -x, -z+1/2', 'x+1/2, -y+1/2, z', '-y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x, -y, -z', 'y, -x, -z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x+1/2, y+1/2, -z', 'y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x+1/2, y+1/2, -z', 'y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-y, x, z+1/2', '-x+1/2, y+1/2, -z', 'y+1/2, x+1/2, -z+1/2']]\"\n136,\"[['x, y, z', '-x, -y, z', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'y, x, -z', '-y, -x, -z', '-x, -y, -z', 'x, y, -z', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, -y, z', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-y+1/2, x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'y, x, -z', '-x, -y, -z', 'y+1/2, -x+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1/2', '-y, -x, z'], ['x, y, z', '-x, -y, z', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-x, -y, z', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-y+1/2, x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'y, x, -z'], ['x, y, z', '-y+1/2, x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'y, x, -z'], ['x, y, z', '-y+1/2, x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'y, x, -z'], ['x, y, z', '-y+1/2, x+1/2, z+1/2'], ['x, y, z', '-y+1/2, x+1/2, z+1/2']]\"\n137,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x, y+1/2, -z', 'x+1/2, -y, -z', 'y+1/2, x+1/2, -z+1/2', '-y, -x, -z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2', 'x, -y+1/2, z', '-x+1/2, y, z', '-y+1/2, -x+1/2, z+1/2', 'y, x, z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x, y+1/2, -z', 'x+1/2, -y, -z', 'y+1/2, x+1/2, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x, y+1/2, -z', 'x+1/2, -y, -z', 'y+1/2, x+1/2, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-y+1/2, x, z+1/2', '-x, y+1/2, -z', 'y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, x, z+1/2', '-x, y+1/2, -z', 'y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, x, z+1/2'], ['x, y, z', '-y+1/2, x, z+1/2']]\"\n138,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y, -z+1/2', 'y+1/2, x+1/2, -z', '-y, -x, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y, z+1/2', '-y+1/2, -x+1/2, z', 'y, x, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y, -z+1/2', 'y+1/2, x+1/2, -z', '-y, -x, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, x, z+1/2', '-x, y+1/2, -z+1/2', 'y+1/2, x+1/2, -z', '-x, -y, -z', 'y+1/2, -x, -z+1/2', 'x, -y+1/2, z+1/2', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, x, z+1/2', '-x, y+1/2, -z+1/2', 'y+1/2, x+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2'], ['x, y, z', '-y+1/2, x, z+1/2', '-x, y+1/2, -z+1/2', 'y+1/2, x+1/2, -z'], ['x, y, z', '-y+1/2, x, z+1/2', '-x, -y, -z', 'y+1/2, -x, -z+1/2']]\"\n139,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1/2, -z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2'], ['x, y, z', '-y, x, z', '-x, y, -z', 'y, x, -z', 'x+1/2, y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2'], ['x, y, z', '-y, x, z', '-x, y, -z', 'y, x, -z'], ['x, y, z', '-y, x, z', 'x+1/2, y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2']]\"\n140,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x, -y, z+1/2', '-x, y, z+1/2', '-y, -x, z+1/2', 'y, x, z+1/2', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1', 'x+1/2, -y+1/2, -z+1', 'y+1/2, x+1/2, -z+1', '-y+1/2, -x+1/2, -z+1', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1/2, -z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1', '-x+1/2, y+1/2, z+1', '-y+1/2, -x+1/2, z+1', 'y+1/2, x+1/2, z+1'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x, -y, z+1/2', '-x, y, z+1/2', '-y, -x, z+1/2', 'y, x, z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1', 'x+1/2, -y+1/2, -z+1', 'y+1/2, x+1/2, -z+1', '-y+1/2, -x+1/2, -z+1'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1/2, -z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1/2, -z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-y, x, z', '-x, y, -z+1/2', 'y, x, -z+1/2', '-x, -y, -z', 'y, -x, -z', 'x, -y, z+1/2', '-y, -x, z+1/2'], ['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2', 'x+1/2, y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-y, x, z', '-x, y, -z+1/2', 'y, x, -z+1/2'], ['x, y, z', '-x, y, -z+1/2', 'x+1/2, y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1'], ['x, y, z', '-y, x, z', '-x, -y, -z', 'y, -x, -z'], ['x, y, z', '-x, -y, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, -z+1/2']]\"\n141,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4', '-x+1/2, y, -z+1/2', 'x, -y, -z', 'y+1/4, x+3/4, -z+1/4', '-y+1/4, -x+1/4, -z+3/4', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4', 'x+1/2, -y, z+1/2', '-x, y, z', '-y+3/4, -x+1/4, z+3/4', 'y+3/4, x+3/4, z+1/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-y+3/4, x+5/4, z+3/4', 'y+3/4, -x+3/4, z+5/4', '-x+1, y+1/2, -z+1', 'x+1/2, -y+1/2, -z+1/2', 'y+3/4, x+5/4, -z+3/4', '-y+3/4, -x+3/4, -z+5/4', '-x+1/2, -y+1/2, -z+1/2', 'x+1, y+1/2, -z+1', 'y+5/4, -x+3/4, -z+5/4', '-y+5/4, x+5/4, -z+3/4', 'x+1, -y+1/2, z+1', '-x+1/2, y+1/2, z+1/2', '-y+5/4, -x+3/4, z+5/4', 'y+5/4, x+5/4, z+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4', '-x+1/2, y, -z+1/2', 'x, -y, -z', 'y+1/4, x+3/4, -z+1/4', '-y+1/4, -x+1/4, -z+3/4', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4', '-y+3/4, -x+1/4, z+3/4', 'y+3/4, x+3/4, z+1/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1, y+1/2, -z+1', 'x+1/2, -y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4', '-x+1/2, y, -z+1/2', 'x, -y, -z', 'y+1/4, x+3/4, -z+1/4', '-y+1/4, -x+1/4, -z+3/4', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4', 'x+1/2, -y, z+1/2', '-x, y, z', '-y+3/4, -x+1/4, z+3/4', 'y+3/4, x+3/4, z+1/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-y+3/4, x+5/4, z+3/4', 'y+3/4, -x+3/4, z+5/4', '-x+1/2, -y+1/2, -z+1/2', 'x+1, y+1/2, -z+1', 'y+5/4, -x+3/4, -z+5/4', '-y+5/4, x+5/4, -z+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4', '-x+1/2, y, -z+1/2', 'x, -y, -z', 'y+1/4, x+3/4, -z+1/4', '-y+1/4, -x+1/4, -z+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4']]\"\n142,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4', '-x+1/2, y, -z', 'x, -y, -z+1/2', 'y+1/4, x+3/4, -z+3/4', '-y+1/4, -x+1/4, -z+1/4', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4', 'x+1/2, -y, z', '-x, y, z+1/2', '-y+3/4, -x+1/4, z+1/4', 'y+3/4, x+3/4, z+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-y+3/4, x+5/4, z+3/4', 'y+3/4, -x+3/4, z+5/4', '-x+1, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1', 'y+3/4, x+5/4, -z+5/4', '-y+3/4, -x+3/4, -z+3/4', '-x+1/2, -y+1/2, -z+1/2', 'x+1, y+1/2, -z+1', 'y+5/4, -x+3/4, -z+5/4', '-y+5/4, x+5/4, -z+3/4', 'x+1, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1', '-y+5/4, -x+3/4, z+3/4', 'y+5/4, x+5/4, z+5/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4', '-x+1/2, y, -z', 'x, -y, -z+1/2', 'y+1/4, x+3/4, -z+3/4', '-y+1/4, -x+1/4, -z+1/4', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4', 'x+1/2, -y, z', '-x, y, z+1/2', '-y+3/4, -x+1/4, z+1/4', 'y+3/4, x+3/4, z+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-y+3/4, x+5/4, z+3/4', 'y+3/4, -x+3/4, z+5/4', '-x+1/2, -y+1/2, -z+1/2', 'x+1, y+1/2, -z+1', 'y+5/4, -x+3/4, -z+5/4', '-y+5/4, x+5/4, -z+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4', '-x+1/2, y, -z', 'x, -y, -z+1/2', 'y+1/4, x+3/4, -z+3/4', '-y+1/4, -x+1/4, -z+1/4', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4', 'x+1/2, -y, z', '-x, y, z+1/2', '-y+3/4, -x+1/4, z+1/4', 'y+3/4, x+3/4, z+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4', '-x+1/2, y, -z', 'x, -y, -z+1/2', 'y+1/4, x+3/4, -z+3/4', '-y+1/4, -x+1/4, -z+1/4', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4', '-y+3/4, -x+1/4, z+1/4', 'y+3/4, x+3/4, z+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4', '-x+1/2, y, -z', 'x, -y, -z+1/2', 'y+1/4, x+3/4, -z+3/4', '-y+1/4, -x+1/4, -z+1/4']]\"\n143,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n144,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3']]\"\n145,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3']]\"\n146,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3'], ['x, y, z', 'x+2/3, y+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3']]\"\n147,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z'], ['x, y, z']]\"\n148,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', '-x+2/3, -y+1/3, -z+1/3', 'y+2/3, -x+y+1/3, -z+1/3', 'x-y+2/3, x+1/3, -z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3', '-x+1/3, -y+2/3, -z+2/3', 'y+1/3, -x+y+2/3, -z+2/3', 'x-y+1/3, x+2/3, -z+2/3'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3'], ['x, y, z', '-x, -y, -z', 'x+2/3, y+1/3, z+1/3', '-x+2/3, -y+1/3, -z+1/3', 'x+1/3, y+2/3, z+2/3', '-x+1/3, -y+2/3, -z+2/3'], ['x, y, z', 'x+2/3, y+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3'], ['x, y, z', 'x+2/3, y+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3']]\"\n149,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n150,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z'], ['x, y, z']]\"\n151,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-y, -x, -z+2/3', '-x+y, y, -z+1/3', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3']]\"\n152,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', 'y, x, -z', 'x-y, -y, -z+2/3', '-x, -x+y, -z+1/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3']]\"\n153,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-y, -x, -z+1/3', '-x+y, y, -z+2/3', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3']]\"\n154,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', 'y, x, -z', 'x-y, -y, -z+1/3', '-x, -x+y, -z+2/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3']]\"\n155,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', 'y+2/3, x+1/3, -z+1/3', 'x-y+2/3, -y+1/3, -z+1/3', '-x+2/3, -x+y+1/3, -z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3', 'y+1/3, x+2/3, -z+2/3', 'x-y+1/3, -y+2/3, -z+2/3', '-x+1/3, -x+y+2/3, -z+2/3'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3'], ['x, y, z', 'y, x, -z', 'x+2/3, y+1/3, z+1/3', 'y+2/3, x+1/3, -z+1/3', 'x+1/3, y+2/3, z+2/3', 'y+1/3, x+2/3, -z+2/3'], ['x, y, z', 'x+2/3, y+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3'], ['x, y, z', 'x+2/3, y+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3']]\"\n156,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n157,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'y, x, z'], ['x, y, z']]\"\n158,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2'], ['x, y, z', '-y, -x, z+1/2'], ['x, y, z', '-y, -x, z+1/2'], ['x, y, z', '-y, -x, z+1/2']]\"\n159,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['x, y, z', 'y, x, z+1/2'], ['x, y, z', 'y, x, z+1/2']]\"\n160,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', '-y+2/3, -x+1/3, z+1/3', '-x+y+2/3, y+1/3, z+1/3', 'x+2/3, x-y+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3', '-y+1/3, -x+2/3, z+2/3', '-x+y+1/3, y+2/3, z+2/3', 'x+1/3, x-y+2/3, z+2/3'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3'], ['x, y, z', 'x+2/3, y+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3']]\"\n161,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', '-y+2/3, -x+1/3, z+5/6', '-x+y+2/3, y+1/3, z+5/6', 'x+2/3, x-y+1/3, z+5/6', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3', '-y+1/3, -x+2/3, z+7/6', '-x+y+1/3, y+2/3, z+7/6', 'x+1/3, x-y+2/3, z+7/6'], ['x, y, z', '-y, -x, z+1/2', 'x+2/3, y+1/3, z+1/3', '-y+2/3, -x+1/3, z+5/6', 'x+1/3, y+2/3, z+2/3', '-y+1/3, -x+2/3, z+7/6']]\"\n162,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, -x, -z', '-x, -y, -z', 'y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z'], ['x, y, z']]\"\n163,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y, -x, -z+1/2', '-x, -y, -z', 'y, x, z+1/2'], ['x, y, z', '-y, -x, -z+1/2', '-x, -y, -z', 'y, x, z+1/2'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, -z']]\"\n164,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z'], ['x, y, z']]\"\n165,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2'], ['x, y, z', 'y, x, -z+1/2', '-x, -y, -z', '-y, -x, z+1/2'], ['x, y, z', 'y, x, -z+1/2', '-x, -y, -z', '-y, -x, z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', '-x, -y, -z']]\"\n166,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', 'y+2/3, x+1/3, -z+1/3', 'x-y+2/3, -y+1/3, -z+1/3', '-x+2/3, -x+y+1/3, -z+1/3', '-x+2/3, -y+1/3, -z+1/3', 'y+2/3, -x+y+1/3, -z+1/3', 'x-y+2/3, x+1/3, -z+1/3', '-y+2/3, -x+1/3, z+1/3', '-x+y+2/3, y+1/3, z+1/3', 'x+2/3, x-y+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3', 'y+1/3, x+2/3, -z+2/3', 'x-y+1/3, -y+2/3, -z+2/3', '-x+1/3, -x+y+2/3, -z+2/3', '-x+1/3, -y+2/3, -z+2/3', 'y+1/3, -x+y+2/3, -z+2/3', 'x-y+1/3, x+2/3, -z+2/3', '-y+1/3, -x+2/3, z+2/3', '-x+y+1/3, y+2/3, z+2/3', 'x+1/3, x-y+2/3, z+2/3'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', 'y+2/3, x+1/3, -z+1/3', 'x-y+2/3, -y+1/3, -z+1/3', '-x+2/3, -x+y+1/3, -z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3', 'y+1/3, x+2/3, -z+2/3', 'x-y+1/3, -y+2/3, -z+2/3', '-x+1/3, -x+y+2/3, -z+2/3'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', '-x+2/3, -y+1/3, -z+1/3', 'y+2/3, -x+y+1/3, -z+1/3', 'x-y+2/3, x+1/3, -z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3', '-x+1/3, -y+2/3, -z+2/3', 'y+1/3, -x+y+2/3, -z+2/3', 'x-y+1/3, x+2/3, -z+2/3'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', '-x+2/3, -y+1/3, -z+1/3', 'y+2/3, -x+y+1/3, -z+1/3', 'x-y+2/3, x+1/3, -z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3', '-x+1/3, -y+2/3, -z+2/3', 'y+1/3, -x+y+2/3, -z+2/3', 'x-y+1/3, x+2/3, -z+2/3'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3'], ['x, y, z', 'y, x, -z', 'x+2/3, y+1/3, z+1/3', 'y+2/3, x+1/3, -z+1/3', 'x+1/3, y+2/3, z+2/3', 'y+1/3, x+2/3, -z+2/3'], ['x, y, z', 'x+2/3, y+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3'], ['x, y, z', 'x+2/3, y+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3']]\"\n167,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', 'y+2/3, x+1/3, -z+5/6', 'x-y+2/3, -y+1/3, -z+5/6', '-x+2/3, -x+y+1/3, -z+5/6', '-x+2/3, -y+1/3, -z+1/3', 'y+2/3, -x+y+1/3, -z+1/3', 'x-y+2/3, x+1/3, -z+1/3', '-y+2/3, -x+1/3, z+5/6', '-x+y+2/3, y+1/3, z+5/6', 'x+2/3, x-y+1/3, z+5/6', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3', 'y+1/3, x+2/3, -z+7/6', 'x-y+1/3, -y+2/3, -z+7/6', '-x+1/3, -x+y+2/3, -z+7/6', '-x+1/3, -y+2/3, -z+2/3', 'y+1/3, -x+y+2/3, -z+2/3', 'x-y+1/3, x+2/3, -z+2/3', '-y+1/3, -x+2/3, z+7/6', '-x+y+1/3, y+2/3, z+7/6', 'x+1/3, x-y+2/3, z+7/6'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', '-x+2/3, -y+1/3, -z+1/3', 'y+2/3, -x+y+1/3, -z+1/3', 'x-y+2/3, x+1/3, -z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3', '-x+1/3, -y+2/3, -z+2/3', 'y+1/3, -x+y+2/3, -z+2/3', 'x-y+1/3, x+2/3, -z+2/3'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', 'y+2/3, x+1/3, -z+5/6', 'x-y+2/3, -y+1/3, -z+5/6', '-x+2/3, -x+y+1/3, -z+5/6', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3', 'y+1/3, x+2/3, -z+7/6', 'x-y+1/3, -y+2/3, -z+7/6', '-x+1/3, -x+y+2/3, -z+7/6'], ['x, y, z', 'y, x, -z+1/2', '-x, -y, -z', '-y, -x, z+1/2', 'x+2/3, y+1/3, z+1/3', 'y+2/3, x+1/3, -z+5/6', '-x+2/3, -y+1/3, -z+1/3', '-y+2/3, -x+1/3, z+5/6', 'x+1/3, y+2/3, z+2/3', 'y+1/3, x+2/3, -z+7/6', '-x+1/3, -y+2/3, -z+2/3', '-y+1/3, -x+2/3, z+7/6'], ['x, y, z', 'y, x, -z+1/2', 'x+2/3, y+1/3, z+1/3', 'y+2/3, x+1/3, -z+5/6', 'x+1/3, y+2/3, z+2/3', 'y+1/3, x+2/3, -z+7/6'], ['x, y, z', '-x, -y, -z', 'x+2/3, y+1/3, z+1/3', '-x+2/3, -y+1/3, -z+1/3', 'x+1/3, y+2/3, z+2/3', '-x+1/3, -y+2/3, -z+2/3']]\"\n168,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-x, -y, z'], ['x, y, z']]\"\n169,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z+1/2', 'y, -x+y, z+5/6', 'x-y, x, z+1/6']]\"\n170,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z+1/2', 'y, -x+y, z+1/6', 'x-y, x, z+5/6']]\"\n171,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z', 'y, -x+y, z+2/3', 'x-y, x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3']]\"\n172,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z', 'y, -x+y, z+1/3', 'x-y, x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3']]\"\n173,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2']]\"\n174,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n175,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z'], ['x, y, z']]\"\n176,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['x, y, z', '-x, -y, z+1/2', '-x, -y, -z', 'x, y, -z+1/2'], ['x, y, z', '-x, -y, z+1/2', '-x, -y, -z', 'x, y, -z+1/2'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2']]\"\n177,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z'], ['x, y, z', '-x, -y, z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z'], ['x, y, z']]\"\n178,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z+1/2', 'y, -x+y, z+5/6', 'x-y, x, z+1/6', 'y, x, -z+1/3', 'x-y, -y, -z', '-x, -x+y, -z+2/3', '-y, -x, -z+5/6', '-x+y, y, -z+1/2', 'x, x-y, -z+1/6'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z+1/2', 'y, -x+y, z+5/6', 'x-y, x, z+1/6'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z+1/2', 'y, -x+y, z+5/6', 'x-y, x, z+1/6']]\"\n179,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z+1/2', 'y, -x+y, z+1/6', 'x-y, x, z+5/6', 'y, x, -z+2/3', 'x-y, -y, -z', '-x, -x+y, -z+1/3', '-y, -x, -z+1/6', '-x+y, y, -z+1/2', 'x, x-y, -z+5/6'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z+1/2', 'y, -x+y, z+1/6', 'x-y, x, z+5/6'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z+1/2', 'y, -x+y, z+1/6', 'x-y, x, z+5/6']]\"\n180,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z', 'y, -x+y, z+2/3', 'x-y, x, z+1/3', 'y, x, -z+2/3', 'x-y, -y, -z', '-x, -x+y, -z+1/3', '-y, -x, -z+2/3', '-x+y, y, -z', 'x, x-y, -z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z', 'y, -x+y, z+2/3', 'x-y, x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z', 'y, -x+y, z+2/3', 'x-y, x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z', 'y, -x+y, z+2/3', 'x-y, x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z', 'y, -x+y, z+2/3', 'x-y, x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', 'y, x, -z+2/3', 'x-y, -y, -z', '-x, -x+y, -z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', 'y, x, -z+2/3', 'x-y, -y, -z', '-x, -x+y, -z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3'], ['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3']]\"\n181,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z', 'y, -x+y, z+1/3', 'x-y, x, z+2/3', 'y, x, -z+1/3', 'x-y, -y, -z', '-x, -x+y, -z+2/3', '-y, -x, -z+1/3', '-x+y, y, -z', 'x, x-y, -z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z', 'y, -x+y, z+1/3', 'x-y, x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z', 'y, -x+y, z+1/3', 'x-y, x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z', 'y, -x+y, z+1/3', 'x-y, x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z', 'y, -x+y, z+1/3', 'x-y, x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', 'y, x, -z+1/3', 'x-y, -y, -z', '-x, -x+y, -z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', 'y, x, -z+1/3', 'x-y, -y, -z', '-x, -x+y, -z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3'], ['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3']]\"\n182,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['x, y, z', '-x, -y, z+1/2', 'y, x, -z', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z+1/2', 'y, x, -z', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2']]\"\n183,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-x, -y, z'], ['x, y, z']]\"\n184,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2'], ['x, y, z', '-x, -y, z', '-y, -x, z+1/2', 'y, x, z+1/2'], ['x, y, z', '-y, -x, z+1/2']]\"\n185,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['x, y, z', '-x, -y, z+1/2', '-y, -x, z+1/2', 'y, x, z'], ['x, y, z', '-x, -y, z+1/2']]\"\n186,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2']]\"\n187,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]\"\n188,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2'], ['x, y, z', 'x, y, -z+1/2', '-y, -x, z+1/2', '-y, -x, -z'], ['x, y, z', 'x, y, -z+1/2', '-y, -x, z+1/2', '-y, -x, -z'], ['x, y, z', 'x, y, -z+1/2', '-y, -x, z+1/2', '-y, -x, -z'], ['x, y, z', '-y, -x, z+1/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', '-y, -x, z+1/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', '-y, -x, z+1/2'], ['x, y, z', 'x, y, -z+1/2']]\"\n189,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', 'x, y, -z', 'y, x, -z', 'y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z'], ['x, y, z']]\"\n190,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2'], ['x, y, z', 'x, y, -z+1/2', 'y, x, -z', 'y, x, z+1/2'], ['x, y, z', 'x, y, -z+1/2', 'y, x, -z', 'y, x, z+1/2'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'x, y, -z+1/2']]\"\n191,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z'], ['x, y, z', '-x, -y, z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z'], ['x, y, z']]\"\n192,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2'], ['x, y, z', '-x, -y, z', 'y, x, -z+1/2', '-y, -x, -z+1/2', '-x, -y, -z', 'x, y, -z', '-y, -x, z+1/2', 'y, x, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', 'y, x, -z+1/2', '-x, -y, -z', '-y, -x, z+1/2'], ['x, y, z', '-x, -y, z', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', '-x, -y, -z']]\"\n193,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2'], ['x, y, z', '-x, -y, z+1/2', 'y, x, -z+1/2', '-y, -x, -z', '-x, -y, -z', 'x, y, -z+1/2', '-y, -x, z+1/2', 'y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['x, y, z', '-x, -y, z+1/2', 'y, x, -z+1/2', '-y, -x, -z'], ['x, y, z', '-x, -y, z+1/2', '-x, -y, -z', 'x, y, -z+1/2'], ['x, y, z', '-x, -y, z+1/2', 'y, x, -z+1/2', '-y, -x, -z'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2']]\"\n194,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['x, y, z', '-x, -y, z+1/2', 'y, x, -z', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z+1/2', 'y, x, -z', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2'], ['x, y, z', '-x, -y, z+1/2']]\"\n195,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z'], ['x, y, z']]\"\n196,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x+1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z, -x+1/2, y+1/2', '-z, x+1/2, -y+1/2', 'y, z+1/2, x+1/2', '-y, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y, -z+1/2, x+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'z+1/2, x, y+1/2', 'z+1/2, -x, -y+1/2', '-z+1/2, -x, y+1/2', '-z+1/2, x, -y+1/2', 'y+1/2, z, x+1/2', '-y+1/2, z, -x+1/2', 'y+1/2, -z, -x+1/2', '-y+1/2, -z, x+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'z+1/2, x+1/2, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x+1/2, y', '-z+1/2, x+1/2, -y', 'y+1/2, z+1/2, x', '-y+1/2, z+1/2, -x', 'y+1/2, -z+1/2, -x', '-y+1/2, -z+1/2, x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'z, x+1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z, -x+1/2, y+1/2', '-z, x+1/2, -y+1/2', 'y, z+1/2, x+1/2', '-y, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y, -z+1/2, x+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'z, x+1/2, y+1/2', 'z, -x+1/2, -y+1/2', 'y, z+1/2, x+1/2', '-y, z+1/2, -x+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', 'z+1/2, x, y+1/2', 'z+1/2, -x, -y+1/2', 'y+1/2, z, x+1/2', '-y+1/2, z, -x+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', 'z+1/2, x+1/2, y', 'z+1/2, -x+1/2, -y', 'y+1/2, z+1/2, x', '-y+1/2, z+1/2, -x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', 'x, y+1/2, z+1/2', 'x+1/2, y, z+1/2', 'x+1/2, y+1/2, z'], ['x, y, z', 'x, y+1/2, z+1/2', 'x+1/2, y, z+1/2', 'x+1/2, y+1/2, z']]\"\n197,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y+1/2', '-z+1/2, x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x+1/2'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2'], ['x, y, z', 'z, x, y', 'y, z, x', 'x+1/2, y+1/2, z+1/2', 'z+1/2, x+1/2, y+1/2', 'y+1/2, z+1/2, x+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2']]\"\n198,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z']]\"\n199,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1, -x+1, -y+1/2', '-z+1, -x+1/2, y+1', '-z+1/2, x+1, -y+1', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1, -x+1', 'y+1, -z+1, -x+1/2', '-y+1, -z+1/2, x+1'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2']]\"\n200,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', '-z, -x, -y', '-z, x, y', 'z, x, -y', 'z, -x, y', '-y, -z, -x', 'y, -z, x', '-y, z, x', 'y, z, -x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z'], ['x, y, z']]\"\n201,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x, y', 'z, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y', '-z+1/2, x, -y+1/2', 'y, z, x', '-y+1/2, z, -x+1/2', 'y, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y, z+1/2', '-x, y+1/2, z+1/2', '-z, -x, -y', '-z, x+1/2, y+1/2', 'z+1/2, x+1/2, -y', 'z+1/2, -x, y+1/2', '-y, -z, -x', 'y+1/2, -z, x+1/2', '-y, z+1/2, x+1/2', 'y+1/2, z+1/2, -x'], ['x, y, z', '-x+1/2, -y+1/2, z', 'z, x, y', 'z, -x+1/2, -y+1/2', 'y, z, x', '-y+1/2, z, -x+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', '-z, -x, -y', '-z, x+1/2, y+1/2', '-y, -z, -x', 'y+1/2, -z, x+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', 'z, x, y', 'z, -x+1/2, -y+1/2', 'y, z, x', '-y+1/2, z, -x+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', '-z, -x, -y', '-z, x+1/2, y+1/2', '-y, -z, -x', 'y+1/2, -z, x+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, 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-z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, -z', 'x, y+1/2, z+1/2', '-x, -y+1/2, -z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, -z']]\"\n204,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', '-z, -x, -y', '-z, x, y', 'z, x, -y', 'z, -x, y', '-y, -z, -x', 'y, -z, x', '-y, z, x', 'y, z, -x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y+1/2', '-z+1/2, x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', '-z+1/2, -x+1/2, -y+1/2', '-z+1/2, x+1/2, y+1/2', 'z+1/2, x+1/2, -y+1/2', 'z+1/2, -x+1/2, y+1/2', '-y+1/2, -z+1/2, -x+1/2', 'y+1/2, -z+1/2, x+1/2', '-y+1/2, z+1/2, x+1/2', 'y+1/2, z+1/2, -x+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y+1/2', '-z+1/2, x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, 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z+1/2, x', 'y+1/2, z, -x+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z']]\"\n206,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z', '-z, -x, -y', '-z+1/2, x+1/2, y', 'z+1/2, x, -y+1/2', 'z, -x+1/2, y+1/2', '-y, -z, -x', 'y, -z+1/2, x+1/2', '-y+1/2, z+1/2, x', 'y+1/2, z, -x+1/2', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1, -x+1, -y+1/2', '-z+1, -x+1/2, y+1', '-z+1/2, x+1, -y+1', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1, -x+1', 'y+1, -z+1, -x+1/2', '-y+1, -z+1/2, x+1', '-x+1/2, -y+1/2, -z+1/2', 'x+1, y+1/2, -z+1', 'x+1/2, -y+1, z+1', '-x+1, y+1, z+1/2', '-z+1/2, -x+1/2, -y+1/2', '-z+1, x+1, y+1/2', 'z+1, x+1/2, -y+1', 'z+1/2, -x+1, y+1', '-y+1/2, -z+1/2, -x+1/2', 'y+1/2, -z+1, x+1', '-y+1, z+1, x+1/2', 'y+1, z+1/2, -x+1'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z', '-z, -x, -y', '-z+1/2, x+1/2, y', 'z+1/2, x, -y+1/2', 'z, -x+1/2, y+1/2', '-y, -z, -x', 'y, -z+1/2, x+1/2', '-y+1/2, z+1/2, x', 'y+1/2, z, -x+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1, y+1/2, -z+1', 'x+1/2, -y+1, z+1', '-x+1, y+1, z+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2']]\"\n207,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z', 'x, z, -y', '-x, z, y', '-x, -z, -y', 'x, -z, y', 'z, y, -x', 'z, -y, x', '-z, y, x', '-z, -y, -x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'y, x, -z', '-y, -x, -z', 'x, z, -y', '-x, z, y', 'z, y, -x', 'z, -y, x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z'], ['x, y, z']]\"\n208,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', 'y+1/2, -x+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'x+1/2, z+1/2, -y+1/2', '-x+1/2, z+1/2, y+1/2', '-x+1/2, -z+1/2, -y+1/2', 'x+1/2, -z+1/2, y+1/2', 'z+1/2, y+1/2, -x+1/2', 'z+1/2, -y+1/2, x+1/2', '-z+1/2, y+1/2, x+1/2', '-z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, 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'x+3/4, -z+3/4, y+5/4', 'z+5/4, y+1/4, -x+5/4', 'z+3/4, -y+3/4, x+5/4', '-z+5/4, y+3/4, x+3/4', '-z+3/4, -y+1/4, -x+3/4', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z+1/2', '-x+1, y+1, -z', 'x+1, -y+1/2, -z+1/2', 'z+1/2, x+1/2, y', 'z+1, -x+1/2, -y+1/2', '-z+1/2, -x+1, y+1/2', '-z+1, x+1, -y', 'y+1/2, z+1/2, x', '-y+1, z+1, -x', 'y+1, -z+1/2, -x+1/2', '-y+1/2, -z+1, x+1/2', 'y+5/4, x+3/4, -z+3/4', '-y+3/4, -x+3/4, -z+1/4', 'y+3/4, -x+5/4, z+3/4', '-y+5/4, x+5/4, z+1/4', 'x+5/4, z+3/4, -y+3/4', '-x+5/4, z+5/4, y+1/4', '-x+3/4, -z+3/4, -y+1/4', 'x+3/4, -z+5/4, y+3/4', 'z+5/4, y+3/4, -x+3/4', 'z+3/4, -y+5/4, x+3/4', '-z+5/4, y+5/4, x+1/4', '-z+3/4, -y+3/4, -x+1/4'], ['x, y, z', '-x, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z', 'x+1/2, -y, -z+1/2', 'z, x, y', 'z+1/2, -x, -y+1/2', '-z, -x+1/2, y+1/2', '-z+1/2, x+1/2, -y', 'y, z, x', '-y+1/2, z+1/2, -x', 'y+1/2, -z, -x+1/2', '-y, -z+1/2, x+1/2', 'x, y+1/2, z+1/2', '-x, -y+1, z+1', '-x+1/2, y+1, -z+1/2', 'x+1/2, -y+1/2, -z+1', 'z, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1', '-z, -x+1, y+1', '-z+1/2, x+1, -y+1/2', 'y, z+1/2, x+1/2', '-y+1/2, z+1, -x+1/2', 'y+1/2, -z+1/2, -x+1', '-y, -z+1, x+1', 'x+1/2, y, z+1/2', '-x+1/2, -y+1/2, z+1', '-x+1, y+1/2, -z+1/2', 'x+1, -y, -z+1', 'z+1/2, x, y+1/2', 'z+1, -x, -y+1', '-z+1/2, -x+1/2, y+1', '-z+1, x+1/2, -y+1/2', 'y+1/2, z, x+1/2', '-y+1, z+1/2, -x+1/2', 'y+1, -z, -x+1', '-y+1/2, -z+1/2, x+1', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z+1/2', '-x+1, y+1, -z', 'x+1, -y+1/2, -z+1/2', 'z+1/2, x+1/2, y', 'z+1, -x+1/2, -y+1/2', '-z+1/2, -x+1, y+1/2', '-z+1, x+1, -y', 'y+1/2, z+1/2, x', '-y+1, z+1, -x', 'y+1, -z+1/2, -x+1/2', '-y+1/2, -z+1, x+1/2'], ['x, y, z', '-x, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z', 'x+1/2, -y, -z+1/2', 'z, x, y', 'z+1/2, -x, -y+1/2', '-z, -x+1/2, y+1/2', '-z+1/2, x+1/2, -y', 'y, z, x', '-y+1/2, z+1/2, -x', 'y+1/2, -z, -x+1/2', '-y, -z+1/2, x+1/2', 'y+3/4, x+1/4, -z+3/4', '-y+1/4, -x+1/4, -z+1/4', 'y+1/4, -x+3/4, z+3/4', '-y+3/4, x+3/4, z+1/4', 'x+3/4, z+1/4, -y+3/4', '-x+3/4, z+3/4, y+1/4', '-x+1/4, -z+1/4, -y+1/4', 'x+1/4, -z+3/4, y+3/4', 'z+3/4, y+1/4, -x+3/4', 'z+1/4, -y+3/4, x+3/4', '-z+3/4, y+3/4, x+1/4', '-z+1/4, -y+1/4, -x+1/4', 'x, y+1/2, z+1/2', '-x, -y+1, z+1', '-x+1/2, y+1, -z+1/2', 'x+1/2, -y+1/2, -z+1', 'z, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1', '-z, -x+1, y+1', '-z+1/2, x+1, -y+1/2', 'x+3/4, z+3/4, -y+5/4', '-x+3/4, z+5/4, y+3/4', '-x+1/4, -z+3/4, -y+3/4', 'x+1/4, -z+5/4, y+5/4', 'z+3/4, y+3/4, -x+5/4', 'z+1/4, -y+5/4, x+5/4', '-z+3/4, y+5/4, x+3/4', '-z+1/4, -y+3/4, -x+3/4', 'y+1/2, z, x+1/2', '-y+1, z+1/2, -x+1/2', 'y+1, -z, -x+1', '-y+1/2, -z+1/2, x+1', 'y+5/4, x+1/4, -z+5/4', '-y+3/4, -x+1/4, -z+3/4', 'y+3/4, -x+3/4, z+5/4', '-y+5/4, x+3/4, z+3/4'], ['x, y, z', '-x, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z', 'x+1/2, -y, -z+1/2', 'y+3/4, x+1/4, -z+3/4', '-y+1/4, -x+1/4, -z+1/4', 'y+1/4, -x+3/4, z+3/4', '-y+3/4, x+3/4, z+1/4', 'x, y+1/2, z+1/2', '-x, -y+1, z+1', '-x+1/2, y+1, -z+1/2', 'x+1/2, -y+1/2, -z+1', 'y+3/4, x+3/4, -z+5/4', '-y+1/4, -x+3/4, -z+3/4', 'y+1/4, -x+5/4, z+5/4', '-y+3/4, x+5/4, z+3/4', 'x+1/2, y, z+1/2', '-x+1/2, -y+1/2, z+1', '-x+1, y+1/2, -z+1/2', 'x+1, -y, -z+1', 'y+5/4, x+1/4, -z+5/4', '-y+3/4, -x+1/4, -z+3/4', 'y+3/4, -x+3/4, z+5/4', '-y+5/4, x+3/4, z+3/4', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z+1/2', '-x+1, y+1, -z', 'x+1, -y+1/2, -z+1/2', 'y+5/4, x+3/4, -z+3/4', '-y+3/4, -x+3/4, -z+1/4', 'y+3/4, -x+5/4, z+3/4', '-y+5/4, x+5/4, z+1/4'], ['x, y, z', '-x, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z', 'x+1/2, -y, -z+1/2', 'x, y+1/2, z+1/2', '-x, -y+1, z+1', '-x+1/2, y+1, -z+1/2', 'x+1/2, -y+1/2, -z+1', 'x+1/2, y, z+1/2', '-x+1/2, -y+1/2, z+1', '-x+1, y+1/2, -z+1/2', 'x+1, -y, -z+1', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z+1/2', '-x+1, y+1, -z', 'x+1, -y+1/2, -z+1/2'], ['x, y, z', '-x, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z', 'x+1/2, -y, -z+1/2', 'x, y+1/2, z+1/2', '-x, -y+1, z+1', '-x+1/2, y+1, -z+1/2', 'x+1/2, -y+1/2, -z+1', 'x+1/2, y, z+1/2', '-x+1/2, -y+1/2, z+1', '-x+1, y+1/2, -z+1/2', 'x+1, -y, -z+1', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z+1/2', '-x+1, y+1, -z', 'x+1, -y+1/2, -z+1/2'], ['x, y, z', '-x, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z', 'x+1/2, -y, -z+1/2', 'y+3/4, x+1/4, -z+3/4', '-y+1/4, -x+1/4, -z+1/4', 'y+1/4, -x+3/4, z+3/4', '-y+3/4, x+3/4, z+1/4'], ['x, y, z', '-x, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z', 'x+1/2, -y, -z+1/2', 'y+3/4, x+1/4, -z+3/4', '-y+1/4, -x+1/4, -z+1/4', 'y+1/4, -x+3/4, z+3/4', '-y+3/4, x+3/4, z+1/4']]\"\n211,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z', 'x, z, -y', '-x, z, y', '-x, -z, -y', 'x, -z, y', 'z, y, -x', 'z, -y, x', '-z, y, x', '-z, -y, -x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y+1/2', '-z+1/2, x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', 'y+1/2, -x+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'x+1/2, z+1/2, -y+1/2', '-x+1/2, z+1/2, y+1/2', '-x+1/2, -z+1/2, -y+1/2', 'x+1/2, -z+1/2, y+1/2', 'z+1/2, y+1/2, -x+1/2', 'z+1/2, -y+1/2, x+1/2', '-z+1/2, y+1/2, x+1/2', '-z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z', 'x, z, -y', '-x, z, y', '-x, -z, -y', 'x, -z, y', 'z, y, -x', 'z, -y, x', '-z, y, x', '-z, -y, -x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y+1/2', '-z+1/2, x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x+1/2'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'y, x, -z', '-y, -x, -z', 'x, z, -y', '-x, z, y', 'z, y, -x', 'z, -y, x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', 'x+1/2, z+1/2, -y+1/2', '-x+1/2, z+1/2, y+1/2', 'z+1/2, y+1/2, -x+1/2', 'z+1/2, -y+1/2, x+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', 'y+1/2, -x+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'y, x, -z', '-y, -x, -z', 'x, z, -y', '-x, z, y', 'z, y, -x', 'z, -y, x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z'], ['x, y, z', 'z, x, y', 'y, z, x', 'x+1/2, y+1/2, z+1/2', 'z+1/2, x+1/2, y+1/2', 'y+1/2, z+1/2, x+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2']]\"\n212,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', 'y+1/4, x+3/4, -z+3/4', '-y+1/4, -x+1/4, -z+1/4', 'y+3/4, -x+3/4, z+1/4', '-y+3/4, x+1/4, z+3/4', 'x+1/4, z+3/4, -y+3/4', '-x+3/4, z+1/4, y+3/4', '-x+1/4, -z+1/4, -y+1/4', 'x+3/4, -z+3/4, y+1/4', 'z+1/4, y+3/4, -x+3/4', 'z+3/4, -y+3/4, x+1/4', '-z+3/4, y+1/4, x+3/4', '-z+1/4, -y+1/4, -x+1/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'y+1/4, x+3/4, -z+3/4', '-y+1/4, -x+1/4, -z+1/4', 'y+3/4, -x+3/4, z+1/4', '-y+3/4, x+1/4, z+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z']]\"\n213,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', 'y+3/4, x+1/4, -z+1/4', '-y+3/4, -x+3/4, -z+3/4', 'y+1/4, -x+1/4, z+3/4', '-y+1/4, x+3/4, z+1/4', 'x+3/4, z+1/4, -y+1/4', '-x+1/4, z+3/4, y+1/4', '-x+3/4, -z+3/4, -y+3/4', 'x+1/4, -z+1/4, y+3/4', 'z+3/4, y+1/4, -x+1/4', 'z+1/4, -y+1/4, x+3/4', '-z+1/4, y+3/4, x+1/4', '-z+3/4, -y+3/4, -x+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'y+3/4, x+1/4, -z+1/4', '-y+3/4, -x+3/4, -z+3/4', 'y+1/4, -x+1/4, z+3/4', '-y+1/4, x+3/4, z+1/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z']]\"\n214,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', 'y+3/4, x+1/4, -z+1/4', '-y+3/4, -x+3/4, -z+3/4', 'y+1/4, -x+1/4, z+3/4', '-y+1/4, x+3/4, z+1/4', 'x+3/4, z+1/4, -y+1/4', '-x+1/4, z+3/4, y+1/4', '-x+3/4, -z+3/4, -y+3/4', 'x+1/4, -z+1/4, y+3/4', 'z+3/4, y+1/4, -x+1/4', 'z+1/4, -y+1/4, x+3/4', '-z+1/4, y+3/4, x+1/4', '-z+3/4, -y+3/4, -x+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1, -x+1, -y+1/2', '-z+1, -x+1/2, y+1', '-z+1/2, x+1, -y+1', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1, -x+1', 'y+1, -z+1, -x+1/2', '-y+1, -z+1/2, x+1', 'y+5/4, x+3/4, -z+3/4', '-y+5/4, -x+5/4, -z+5/4', 'y+3/4, -x+3/4, z+5/4', '-y+3/4, x+5/4, z+3/4', 'x+5/4, z+3/4, -y+3/4', '-x+3/4, z+5/4, y+3/4', '-x+5/4, -z+5/4, -y+5/4', 'x+3/4, -z+3/4, y+5/4', 'z+5/4, y+3/4, -x+3/4', 'z+3/4, -y+3/4, x+5/4', '-z+3/4, y+5/4, x+3/4', '-z+5/4, -y+5/4, -x+5/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', 'y+3/4, x+1/4, -z+1/4', '-y+3/4, -x+3/4, -z+3/4', 'y+1/4, -x+1/4, z+3/4', '-y+1/4, x+3/4, z+1/4', 'x+3/4, z+1/4, -y+1/4', '-x+1/4, z+3/4, y+1/4', '-x+3/4, -z+3/4, -y+3/4', 'x+1/4, -z+1/4, y+3/4', 'z+3/4, y+1/4, -x+1/4', 'z+1/4, -y+1/4, x+3/4', '-z+1/4, y+3/4, x+1/4', '-z+3/4, -y+3/4, -x+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1, -x+1, -y+1/2', '-z+1, -x+1/2, y+1', '-z+1/2, x+1, -y+1', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1, -x+1', 'y+1, -z+1, -x+1/2', '-y+1, -z+1/2, x+1'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', 'y+3/4, x+1/4, -z+1/4', '-y+3/4, -x+3/4, -z+3/4', 'y+1/4, -x+1/4, z+3/4', '-y+1/4, x+3/4, z+1/4', 'x+3/4, z+1/4, -y+1/4', '-x+1/4, z+3/4, y+1/4', '-x+3/4, -z+3/4, -y+3/4', 'x+1/4, -z+1/4, y+3/4', 'z+3/4, y+1/4, -x+1/4', 'z+1/4, -y+1/4, x+3/4', '-z+1/4, y+3/4, x+1/4', '-z+3/4, -y+3/4, -x+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'y+3/4, x+1/4, -z+1/4', '-y+3/4, -x+3/4, -z+3/4', 'y+1/4, -x+1/4, z+3/4', '-y+1/4, x+3/4, z+1/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2', 'y+5/4, x+3/4, -z+3/4', '-y+5/4, -x+5/4, -z+5/4', 'y+3/4, -x+3/4, z+5/4', '-y+3/4, x+5/4, z+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'y+3/4, x+1/4, -z+1/4', '-y+3/4, -x+3/4, -z+3/4', 'y+1/4, -x+1/4, z+3/4', '-y+1/4, x+3/4, z+1/4']]\"\n215,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, z', '-y, -x, z', 'y, -x, -z', '-y, x, -z', 'x, z, y', '-x, z, -y', '-x, -z, y', 'x, -z, -y', 'z, y, x', 'z, -y, -x', '-z, y, -x', '-z, -y, x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'y, x, z', '-y, -x, z', 'x, z, y', '-x, z, -y', 'z, y, x', 'z, -y, -x'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z'], ['x, y, z']]\"\n216,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, z', '-y, -x, z', 'y, -x, -z', '-y, x, -z', 'x, z, y', '-x, z, -y', '-x, -z, y', 'x, -z, -y', 'z, y, x', 'z, -y, -x', '-z, y, -x', '-z, -y, x', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x+1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z, -x+1/2, y+1/2', '-z, x+1/2, -y+1/2', 'y, z+1/2, x+1/2', '-y, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y, -z+1/2, x+1/2', 'y, x+1/2, z+1/2', '-y, -x+1/2, z+1/2', 'y, -x+1/2, -z+1/2', '-y, x+1/2, -z+1/2', 'x, z+1/2, y+1/2', '-x, z+1/2, -y+1/2', '-x, -z+1/2, y+1/2', 'x, -z+1/2, -y+1/2', 'z, y+1/2, x+1/2', 'z, -y+1/2, -x+1/2', '-z, y+1/2, -x+1/2', '-z, -y+1/2, x+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'z+1/2, x, y+1/2', 'z+1/2, -x, -y+1/2', '-z+1/2, -x, y+1/2', '-z+1/2, x, -y+1/2', 'y+1/2, z, x+1/2', '-y+1/2, z, -x+1/2', 'y+1/2, -z, -x+1/2', '-y+1/2, -z, x+1/2', 'y+1/2, x, z+1/2', '-y+1/2, -x, z+1/2', 'y+1/2, -x, -z+1/2', '-y+1/2, x, -z+1/2', 'x+1/2, z, y+1/2', '-x+1/2, z, -y+1/2', '-x+1/2, -z, y+1/2', 'x+1/2, -z, -y+1/2', 'z+1/2, y, x+1/2', 'z+1/2, -y, -x+1/2', '-z+1/2, y, -x+1/2', '-z+1/2, -y, x+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'z+1/2, x+1/2, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x+1/2, y', '-z+1/2, x+1/2, -y', 'y+1/2, z+1/2, x', '-y+1/2, z+1/2, -x', 'y+1/2, -z+1/2, -x', '-y+1/2, -z+1/2, x', 'y+1/2, x+1/2, z', '-y+1/2, -x+1/2, z', 'y+1/2, -x+1/2, -z', '-y+1/2, x+1/2, -z', 'x+1/2, z+1/2, y', '-x+1/2, z+1/2, -y', '-x+1/2, -z+1/2, y', 'x+1/2, -z+1/2, -y', 'z+1/2, y+1/2, x', 'z+1/2, -y+1/2, -x', '-z+1/2, y+1/2, -x', '-z+1/2, -y+1/2, x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x+1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z, -x+1/2, y+1/2', '-z, x+1/2, -y+1/2', 'y, z+1/2, x+1/2', '-y, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y, -z+1/2, x+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'z+1/2, x, y+1/2', 'z+1/2, -x, -y+1/2', '-z+1/2, -x, y+1/2', '-z+1/2, x, -y+1/2', 'y+1/2, z, x+1/2', '-y+1/2, z, -x+1/2', 'y+1/2, -z, -x+1/2', '-y+1/2, -z, x+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'z+1/2, x+1/2, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x+1/2, y', '-z+1/2, x+1/2, -y', 'y+1/2, z+1/2, x', '-y+1/2, z+1/2, -x', 'y+1/2, -z+1/2, -x', '-y+1/2, -z+1/2, x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'z, x+1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z, -x+1/2, y+1/2', '-z, x+1/2, -y+1/2', 'y, z+1/2, x+1/2', '-y, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y, -z+1/2, x+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'z, x+1/2, y+1/2', 'z, -x+1/2, -y+1/2', 'y, z+1/2, x+1/2', '-y, z+1/2, -x+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', 'z+1/2, x, y+1/2', 'z+1/2, -x, -y+1/2', 'y+1/2, z, x+1/2', '-y+1/2, z, -x+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', 'z+1/2, x+1/2, y', 'z+1/2, -x+1/2, -y', 'y+1/2, z+1/2, x', '-y+1/2, z+1/2, -x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', 'x, y+1/2, z+1/2', 'x+1/2, y, z+1/2', 'x+1/2, y+1/2, z'], ['x, y, z', 'x, y+1/2, z+1/2', 'x+1/2, y, z+1/2', 'x+1/2, y+1/2, z']]\"\n217,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, z', '-y, -x, z', 'y, -x, -z', '-y, x, -z', 'x, z, y', '-x, z, -y', '-x, -z, y', 'x, -z, -y', 'z, y, x', 'z, -y, -x', '-z, y, -x', '-z, -y, x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y+1/2', '-z+1/2, x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x+1/2', 'y+1/2, x+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, z+1/2, y+1/2', '-x+1/2, z+1/2, -y+1/2', '-x+1/2, -z+1/2, y+1/2', 'x+1/2, -z+1/2, -y+1/2', 'z+1/2, y+1/2, x+1/2', 'z+1/2, -y+1/2, -x+1/2', '-z+1/2, y+1/2, -x+1/2', '-z+1/2, -y+1/2, x+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y+1/2', '-z+1/2, x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x+1/2'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'y, x, z', '-y, -x, z', 'x, z, y', '-x, z, -y', 'z, y, x', 'z, -y, -x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2', 'y+1/2, x+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'x+1/2, z+1/2, y+1/2', '-x+1/2, z+1/2, -y+1/2', 'z+1/2, y+1/2, x+1/2', 'z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'y, x, z', '-y, -x, z', 'x, z, y', '-x, z, -y', 'z, y, x', 'z, -y, -x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2'], ['x, y, z', 'z, x, y', 'y, z, x', 'x+1/2, y+1/2, z+1/2', 'z+1/2, x+1/2, y+1/2', 'y+1/2, z+1/2, x+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2']]\"\n218,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y+1/2, x+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, z+1/2, y+1/2', '-x+1/2, z+1/2, -y+1/2', '-x+1/2, -z+1/2, y+1/2', 'x+1/2, -z+1/2, -y+1/2', 'z+1/2, y+1/2, x+1/2', 'z+1/2, -y+1/2, -x+1/2', '-z+1/2, y+1/2, -x+1/2', '-z+1/2, -y+1/2, x+1/2'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'y+1/2, x+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'x+1/2, z+1/2, y+1/2', '-x+1/2, z+1/2, -y+1/2', 'z+1/2, y+1/2, x+1/2', 'z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'y+1/2, x+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'x+1/2, z+1/2, y+1/2', '-x+1/2, z+1/2, -y+1/2', 'z+1/2, y+1/2, x+1/2', 'z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'y+1/2, x+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'x+1/2, z+1/2, y+1/2', '-x+1/2, z+1/2, -y+1/2', 'z+1/2, y+1/2, x+1/2', 'z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'y+1/2, x+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', 'z, x, y', 'y, z, x', 'y+1/2, x+1/2, z+1/2', 'x+1/2, z+1/2, y+1/2', 'z+1/2, y+1/2, x+1/2'], ['x, y, z', 'y+1/2, x+1/2, z+1/2']]\"\n219,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y+1/2, x+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, z+1/2, y+1/2', '-x+1/2, z+1/2, -y+1/2', '-x+1/2, -z+1/2, y+1/2', 'x+1/2, -z+1/2, -y+1/2', 'z+1/2, y+1/2, x+1/2', 'z+1/2, -y+1/2, -x+1/2', '-z+1/2, y+1/2, -x+1/2', '-z+1/2, -y+1/2, x+1/2', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x+1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z, -x+1/2, y+1/2', '-z, x+1/2, -y+1/2', 'y, z+1/2, x+1/2', '-y, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y, -z+1/2, x+1/2', 'y+1/2, x+1, z+1', '-y+1/2, -x+1, z+1', 'y+1/2, -x+1, -z+1', '-y+1/2, x+1, -z+1', 'x+1/2, z+1, y+1', '-x+1/2, z+1, -y+1', '-x+1/2, -z+1, y+1', 'x+1/2, -z+1, -y+1', 'z+1/2, y+1, x+1', 'z+1/2, -y+1, -x+1', '-z+1/2, y+1, -x+1', '-z+1/2, -y+1, x+1', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'z+1/2, x, y+1/2', 'z+1/2, -x, -y+1/2', '-z+1/2, -x, y+1/2', '-z+1/2, x, -y+1/2', 'y+1/2, z, x+1/2', '-y+1/2, z, -x+1/2', 'y+1/2, -z, -x+1/2', '-y+1/2, -z, x+1/2', 'y+1, x+1/2, z+1', '-y+1, -x+1/2, z+1', 'y+1, -x+1/2, -z+1', '-y+1, x+1/2, -z+1', 'x+1, z+1/2, y+1', '-x+1, z+1/2, -y+1', '-x+1, -z+1/2, y+1', 'x+1, -z+1/2, -y+1', 'z+1, y+1/2, x+1', 'z+1, -y+1/2, -x+1', '-z+1, y+1/2, -x+1', '-z+1, -y+1/2, x+1', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'z+1/2, x+1/2, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x+1/2, y', '-z+1/2, x+1/2, -y', 'y+1/2, z+1/2, x', '-y+1/2, z+1/2, -x', 'y+1/2, -z+1/2, -x', '-y+1/2, -z+1/2, x', 'y+1, x+1, z+1/2', '-y+1, -x+1, z+1/2', 'y+1, -x+1, -z+1/2', '-y+1, x+1, -z+1/2', 'x+1, z+1, y+1/2', '-x+1, z+1, -y+1/2', '-x+1, -z+1, y+1/2', 'x+1, -z+1, -y+1/2', 'z+1, y+1, x+1/2', 'z+1, -y+1, -x+1/2', '-z+1, y+1, -x+1/2', '-z+1, -y+1, x+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y+1/2, x+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, z+1/2, y+1/2', '-x+1/2, z+1/2, -y+1/2', '-x+1/2, -z+1/2, y+1/2', 'x+1/2, -z+1/2, -y+1/2', 'z+1/2, y+1/2, x+1/2', 'z+1/2, -y+1/2, -x+1/2', '-z+1/2, y+1/2, -x+1/2', '-z+1/2, -y+1/2, x+1/2', 'z, x+1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z, -x+1/2, y+1/2', '-z, x+1/2, -y+1/2', 'y, z+1/2, x+1/2', '-y, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y, -z+1/2, x+1/2', 'y+1/2, x+1, z+1', '-y+1/2, -x+1, z+1', 'y+1/2, -x+1, -z+1', '-y+1/2, x+1, -z+1', 'z+1/2, y+1, x+1', 'z+1/2, -y+1, -x+1', '-z+1/2, y+1, -x+1', '-z+1/2, -y+1, x+1', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'x+1, z+1/2, y+1', '-x+1, z+1/2, -y+1', '-x+1, -z+1/2, y+1', 'x+1, -z+1/2, -y+1'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'y+1/2, x+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'x+1/2, z+1/2, y+1/2', '-x+1/2, z+1/2, -y+1/2', 'z+1/2, y+1/2, x+1/2', 'z+1/2, -y+1/2, -x+1/2', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'z, x+1/2, y+1/2', 'z, -x+1/2, -y+1/2', 'y, z+1/2, x+1/2', '-y, z+1/2, -x+1/2', 'y+1/2, x+1, z+1', '-y+1/2, -x+1, z+1', 'x+1/2, z+1, y+1', '-x+1/2, z+1, -y+1', 'z+1/2, y+1, x+1', 'z+1/2, -y+1, -x+1', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', 'z+1/2, x, y+1/2', 'z+1/2, -x, -y+1/2', 'y+1/2, z, x+1/2', '-y+1/2, z, -x+1/2', 'y+1, x+1/2, z+1', '-y+1, -x+1/2, z+1', 'x+1, z+1/2, y+1', '-x+1, z+1/2, -y+1', 'z+1, y+1/2, x+1', 'z+1, -y+1/2, -x+1', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', 'z+1/2, x+1/2, y', 'z+1/2, -x+1/2, -y', 'y+1/2, z+1/2, x', '-y+1/2, z+1/2, -x', 'y+1, x+1, z+1/2', '-y+1, -x+1, z+1/2', 'x+1, z+1, y+1/2', '-x+1, z+1, -y+1/2', 'z+1, y+1, x+1/2', 'z+1, -y+1, -x+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'y+1/2, x+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', 'y+1/2, x+1, z+1', '-y+1/2, -x+1, z+1', 'y+1/2, -x+1, -z+1', '-y+1/2, x+1, -z+1', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'y+1, x+1/2, z+1', '-y+1, -x+1/2, z+1', 'y+1, -x+1/2, -z+1', '-y+1, x+1/2, -z+1', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'y+1, x+1, z+1/2', '-y+1, -x+1, z+1/2', 'y+1, -x+1, -z+1/2', '-y+1, x+1, -z+1/2'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'y+1/2, x+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'x+1/2, z+1/2, y+1/2', '-x+1/2, z+1/2, -y+1/2', 'z+1/2, y+1/2, x+1/2', 'z+1/2, -y+1/2, -x+1/2', 'z, x+1/2, y+1/2', 'z, -x+1/2, -y+1/2', 'y, z+1/2, x+1/2', '-y, z+1/2, -x+1/2', 'y+1/2, x+1, z+1', '-y+1/2, -x+1, z+1', 'z+1/2, y+1, x+1', 'z+1/2, -y+1, -x+1', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', 'x+1, z+1/2, y+1', '-x+1, z+1/2, -y+1'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y+1/2, x+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, z+1/2, y+1/2', '-x+1/2, z+1/2, -y+1/2', '-x+1/2, -z+1/2, y+1/2', 'x+1/2, -z+1/2, -y+1/2', 'z+1/2, y+1/2, x+1/2', 'z+1/2, -y+1/2, -x+1/2', '-z+1/2, y+1/2, -x+1/2', '-z+1/2, -y+1/2, x+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'y+1/2, x+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', 'y+1/2, x+1/2, z+1/2', 'x, y+1/2, z+1/2', 'y+1/2, x+1, z+1', 'x+1/2, y, z+1/2', 'y+1, x+1/2, z+1', 'x+1/2, y+1/2, z', 'y+1, x+1, z+1/2']]\"\n220,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', 'y+1/4, x+1/4, z+1/4', '-y+1/4, -x+3/4, z+3/4', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4', 'x+1/4, z+1/4, y+1/4', '-x+3/4, z+3/4, -y+1/4', '-x+1/4, -z+3/4, y+3/4', 'x+3/4, -z+1/4, -y+3/4', 'z+1/4, y+1/4, x+1/4', 'z+3/4, -y+1/4, -x+3/4', '-z+3/4, y+3/4, -x+1/4', '-z+1/4, -y+3/4, x+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1, -x+1, -y+1/2', '-z+1, -x+1/2, y+1', '-z+1/2, x+1, -y+1', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1, -x+1', 'y+1, -z+1, -x+1/2', '-y+1, -z+1/2, x+1', 'y+3/4, x+3/4, z+3/4', '-y+3/4, -x+5/4, z+5/4', 'y+5/4, -x+3/4, -z+5/4', '-y+5/4, x+5/4, -z+3/4', 'x+3/4, z+3/4, y+3/4', '-x+5/4, z+5/4, -y+3/4', '-x+3/4, -z+5/4, y+5/4', 'x+5/4, -z+3/4, -y+5/4', 'z+3/4, y+3/4, x+3/4', 'z+5/4, -y+3/4, -x+5/4', '-z+5/4, y+5/4, -x+3/4', '-z+3/4, -y+5/4, x+5/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', 'y+1/4, x+1/4, z+1/4', '-y+1/4, -x+3/4, z+3/4', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4', 'x+1/4, z+1/4, y+1/4', '-x+3/4, z+3/4, -y+1/4', '-x+1/4, -z+3/4, y+3/4', 'x+3/4, -z+1/4, -y+3/4', 'z+1/4, y+1/4, x+1/4', 'z+3/4, -y+1/4, -x+3/4', '-z+3/4, y+3/4, -x+1/4', '-z+1/4, -y+3/4, x+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'y+1/4, x+1/4, z+1/4', '-y+1/4, -x+3/4, z+3/4', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2', 'y+3/4, x+3/4, z+3/4', '-y+3/4, -x+5/4, z+5/4', 'y+5/4, -x+3/4, -z+5/4', '-y+5/4, x+5/4, -z+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2']]\"\n221,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z', 'x, z, -y', '-x, z, y', '-x, -z, -y', 'x, -z, y', 'z, y, -x', 'z, -y, x', '-z, y, x', '-z, -y, -x', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', '-z, -x, -y', '-z, x, y', 'z, x, -y', 'z, -x, y', '-y, -z, -x', 'y, -z, x', '-y, z, x', 'y, z, -x', '-y, -x, z', 'y, x, z', '-y, x, -z', 'y, -x, -z', '-x, -z, y', 'x, -z, -y', 'x, z, y', '-x, z, -y', '-z, -y, x', '-z, y, -x', 'z, -y, -x', 'z, y, x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z', 'x, z, -y', '-x, z, y', '-x, -z, -y', 'x, -z, y', 'z, y, -x', 'z, -y, x', '-z, y, x', '-z, -y, -x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z', 'x, z, -y', '-x, z, y', '-x, -z, -y', 'x, -z, y', 'z, y, -x', 'z, -y, x', '-z, y, x', '-z, -y, -x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z', 'x, z, -y', '-x, z, y', '-x, -z, -y', 'x, -z, y', 'z, y, -x', 'z, -y, x', '-z, y, x', '-z, -y, -x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'y, x, -z', '-y, -x, -z', 'x, z, -y', '-x, z, y', 'z, y, -x', 'z, -y, x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z'], ['x, y, z']]\"\n222,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x, y', 'z, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y', '-z+1/2, x, -y+1/2', 'y, z, x', '-y+1/2, z, -x+1/2', 'y, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x', 'y, x, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', 'y, -x+1/2, z', '-y+1/2, x, z', 'x, z, -y+1/2', '-x+1/2, z, y', 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-x'], ['x, y, z', '-x+1/2, -y+1/2, z', 'z, x, y', 'z, -x+1/2, -y+1/2', 'y, z, x', '-y+1/2, z, -x+1/2', 'y, x, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', 'x, z, -y+1/2', '-x+1/2, z, y', 'z, y, -x+1/2', 'z, -y+1/2, x', '-x, -y, -z', 'x+1/2, y+1/2, -z', '-z, -x, -y', '-z, x+1/2, y+1/2', '-y, -z, -x', 'y+1/2, -z, x+1/2', '-y, -x, z+1/2', 'y+1/2, x+1/2, z+1/2', '-x, -z, y+1/2', 'x+1/2, -z, -y', '-z, -y, x+1/2', '-z, y+1/2, -x'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'y, x, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', 'y, -x+1/2, z', '-y+1/2, x, z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y, z+1/2', '-x, y+1/2, z+1/2', '-y, -x, z+1/2', 'y+1/2, x+1/2, z+1/2', '-y, x+1/2, -z', 'y+1/2, -x, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', 'z, x, y', 'z, -x+1/2, -y+1/2', 'y, z, x', '-y+1/2, z, -x+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', '-z, -x, -y', '-z, x+1/2, y+1/2', '-y, -z, -x', 'y+1/2, -z, x+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', 'z, x, y', 'z, -x+1/2, -y+1/2', 'y, z, x', 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z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x'], ['x, y, z', 'z, x, y', 'y, z, x', 'y+1/2, x+1/2, -z+1/2', 'x+1/2, z+1/2, -y+1/2', 'z+1/2, y+1/2, -x+1/2'], ['x, y, z', 'y+1/2, x+1/2, -z+1/2']]\"\n224,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x, y', 'z, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y', '-z+1/2, x, -y+1/2', 'y, z, x', '-y+1/2, z, -x+1/2', 'y, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x', 'y+1/2, x+1/2, -z', '-y, -x, -z', 'y+1/2, -x, z+1/2', '-y, x+1/2, z+1/2', 'x+1/2, z+1/2, -y', '-x, z+1/2, y+1/2', '-x, -z, -y', 'x+1/2, -z, y+1/2', 'z+1/2, y+1/2, -x', 'z+1/2, -y, x+1/2', '-z, y+1/2, x+1/2', '-z, -y, -x', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y, z+1/2', '-x, y+1/2, z+1/2', '-z, -x, -y', '-z, x+1/2, y+1/2', 'z+1/2, x+1/2, -y', 'z+1/2, -x, y+1/2', '-y, -z, -x', 'y+1/2, -z, x+1/2', '-y, z+1/2, x+1/2', 'y+1/2, z+1/2, -x', '-y+1/2, -x+1/2, z', 'y, x, z', '-y+1/2, x, -z+1/2', 'y, -x+1/2, -z+1/2', '-x+1/2, -z+1/2, y', 'x, -z+1/2, -y+1/2', 'x, z, y', '-x+1/2, z, -y+1/2', '-z+1/2, -y+1/2, x', '-z+1/2, y, -x+1/2', 'z, -y+1/2, -x+1/2', 'z, y, x'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x, y', 'z, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y', '-z+1/2, x, -y+1/2', 'y, z, x', '-y+1/2, z, -x+1/2', 'y, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x', 'y+1/2, x+1/2, -z', '-y, -x, -z', 'y+1/2, -x, z+1/2', '-y, x+1/2, z+1/2', 'x+1/2, z+1/2, -y', '-x, z+1/2, y+1/2', '-x, -z, -y', 'x+1/2, -z, y+1/2', 'z+1/2, y+1/2, -x', 'z+1/2, -y, x+1/2', '-z, y+1/2, x+1/2', '-z, -y, -x'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x, y', 'z, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y', '-z+1/2, x, -y+1/2', 'y, z, x', '-y+1/2, z, -x+1/2', 'y, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'x+1/2, 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y+1/2', 'z+1/2, -x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2'], ['x, y, z', '-x, -y, z', 'z, x, y', 'z, -x, -y', 'y, z, x', '-y, z, -x', 'y, x, -z', '-y, -x, -z', 'x, z, -y', '-x, z, y', 'z, y, -x', 'z, -y, x'], ['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z'], ['x, y, z', 'z, x, y', 'y, z, x', 'x+1/2, y+1/2, z+1/2', 'z+1/2, x+1/2, y+1/2', 'y+1/2, z+1/2, x+1/2'], ['x, y, z', 'x+1/2, y+1/2, z+1/2']]\"\n230,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', 'y+3/4, x+1/4, -z+1/4', '-y+3/4, -x+3/4, -z+3/4', 'y+1/4, -x+1/4, z+3/4', '-y+1/4, x+3/4, z+1/4', 'x+3/4, z+1/4, -y+1/4', '-x+1/4, z+3/4, y+1/4', '-x+3/4, -z+3/4, -y+3/4', 'x+1/4, -z+1/4, y+3/4', 'z+3/4, y+1/4, -x+1/4', 'z+1/4, -y+1/4, x+3/4', '-z+1/4, y+3/4, x+1/4', '-z+3/4, -y+3/4, -x+3/4', 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-y+1/4', '-x+1/4, z+3/4, y+1/4', '-x+3/4, -z+3/4, -y+3/4', 'x+1/4, -z+1/4, y+3/4', 'z+3/4, y+1/4, -x+1/4', 'z+1/4, -y+1/4, x+3/4', '-z+1/4, y+3/4, x+1/4', '-z+3/4, -y+3/4, -x+3/4', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z', '-z, -x, -y', '-z+1/2, x+1/2, y', 'z+1/2, x, -y+1/2', 'z, -x+1/2, y+1/2', '-y, -z, -x', 'y, -z+1/2, x+1/2', '-y+1/2, z+1/2, x', 'y+1/2, z, -x+1/2', '-y+1/4, -x+3/4, z+3/4', 'y+1/4, x+1/4, z+1/4', '-y+3/4, x+3/4, -z+1/4', 'y+3/4, -x+1/4, -z+3/4', '-x+1/4, -z+3/4, y+3/4', 'x+3/4, -z+1/4, -y+3/4', 'x+1/4, z+1/4, y+1/4', '-x+3/4, z+3/4, -y+1/4', '-z+1/4, -y+3/4, x+3/4', '-z+3/4, y+3/4, -x+1/4', 'z+3/4, -y+1/4, -x+3/4', 'z+1/4, y+1/4, x+1/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'y+3/4, x+1/4, -z+1/4', '-y+3/4, -x+3/4, -z+3/4', 'y+1/4, -x+1/4, z+3/4', '-y+1/4, x+3/4, z+1/4', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z', '-y+1/4, -x+3/4, z+3/4', 'y+1/4, x+1/4, z+1/4', '-y+3/4, x+3/4, -z+1/4', 'y+3/4, -x+1/4, -z+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2', 'y+5/4, x+3/4, -z+3/4', '-y+5/4, -x+5/4, -z+5/4', 'y+3/4, -x+3/4, z+5/4', '-y+3/4, x+5/4, z+3/4', '-x+1/2, -y+1/2, -z+1/2', 'x+1, y+1/2, -z+1', 'x+1/2, -y+1, z+1', '-x+1, y+1, z+1/2', '-y+3/4, -x+5/4, z+5/4', 'y+3/4, x+3/4, z+3/4', '-y+5/4, x+5/4, -z+3/4', 'y+5/4, -x+3/4, -z+5/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', 'y+3/4, x+1/4, -z+1/4', '-y+3/4, -x+3/4, -z+3/4', 'y+1/4, -x+1/4, z+3/4', '-y+1/4, x+3/4, z+1/4', 'x+3/4, z+1/4, -y+1/4', '-x+1/4, z+3/4, y+1/4', '-x+3/4, -z+3/4, -y+3/4', 'x+1/4, -z+1/4, y+3/4', 'z+3/4, y+1/4, -x+1/4', 'z+1/4, -y+1/4, x+3/4', '-z+1/4, y+3/4, x+1/4', '-z+3/4, -y+3/4, -x+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z', '-z, -x, -y', '-z+1/2, x+1/2, y', 'z+1/2, x, -y+1/2', 'z, -x+1/2, y+1/2', '-y, -z, -x', 'y, -z+1/2, x+1/2', '-y+1/2, z+1/2, x', 'y+1/2, z, -x+1/2'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'y+3/4, x+1/4, -z+1/4', '-y+3/4, -x+3/4, -z+3/4', 'y+1/4, -x+1/4, z+3/4', '-y+1/4, x+3/4, z+1/4', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z', '-y+1/4, -x+3/4, z+3/4', 'y+1/4, x+1/4, z+1/4', '-y+3/4, x+3/4, -z+1/4', 'y+3/4, -x+1/4, -z+3/4'], ['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'y+3/4, x+1/4, -z+1/4', '-y+3/4, -x+3/4, -z+3/4', 'y+1/4, -x+1/4, z+3/4', '-y+1/4, x+3/4, z+1/4', '-y+1/4, -x+3/4, z+3/4', 'y+1/4, x+1/4, z+1/4', '-y+3/4, x+3/4, -z+1/4', 'y+3/4, -x+1/4, -z+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2']]\"\n" }, { "path": "pyxtal/database/wyckoff_list.csv", "content": ",0\n0,\n1,\"[['x, y, z']]\"\n2,\"[['x, y, z', '-x, -y, -z'], ['1/2, 1/2, 1/2'], ['0, 1/2, 1/2'], ['1/2, 0, 1/2'], ['1/2, 1/2, 0'], ['1/2, 0, 0'], ['0, 1/2, 0'], ['0, 0, 1/2'], ['0, 0, 0']]\"\n3,\"[['x, y, z', '-x, y, -z'], ['1/2, y, 1/2'], ['1/2, y, 0'], ['0, y, 1/2'], ['0, y, 0']]\"\n4,\"[['x, y, z', '-x, y+1/2, -z']]\"\n5,\"[['x, y, z', '-x, y, -z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z'], ['0, y, 1/2', '1/2, y+1/2, 1/2'], ['0, y, 0', '1/2, y+1/2, 0']]\"\n6,\"[['x, y, z', 'x, -y, z'], ['x, 1/2, z'], ['x, 0, z']]\"\n7,\"[['x, y, z', 'x, -y, z+1/2']]\"\n8,\"[['x, y, z', 'x, -y, z', 'x+1/2, y+1/2, z', 'x+1/2, -y+1/2, z'], ['x, 0, z', 'x+1/2, 1/2, z']]\"\n9,\"[['x, y, z', 'x, -y, z+1/2', 'x+1/2, y+1/2, z', 'x+1/2, -y+1/2, z+1/2']]\"\n10,\"[['x, y, z', '-x, y, -z', '-x, -y, -z', 'x, -y, z'], ['x, 1/2, z', '-x, 1/2, -z'], ['x, 0, z', '-x, 0, -z'], ['1/2, y, 1/2', '1/2, -y, 1/2'], ['0, y, 1/2', '0, -y, 1/2'], ['1/2, y, 0', '1/2, -y, 0'], ['0, y, 0', '0, -y, 0'], ['1/2, 1/2, 1/2'], ['1/2, 0, 1/2'], ['0, 1/2, 1/2'], ['1/2, 1/2, 0'], ['1/2, 0, 0'], ['0, 0, 1/2'], ['0, 1/2, 0'], ['0, 0, 0']]\"\n11,\"[['x, y, z', '-x, y+1/2, -z', '-x, -y, -z', 'x, -y+1/2, z'], ['x, 1/4, z', '-x, 3/4, -z'], ['1/2, 0, 1/2', '1/2, 1/2, 1/2'], ['0, 0, 1/2', '0, 1/2, 1/2'], ['1/2, 0, 0', '1/2, 1/2, 0'], ['0, 0, 0', '0, 1/2, 0']]\"\n12,\"[['x, y, z', '-x, y, -z', '-x, -y, -z', 'x, -y, z', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z', '-x+1/2, -y+1/2, -z', 'x+1/2, -y+1/2, z'], ['x, 0, z', '-x, 0, -z', 'x+1/2, 1/2, z', '-x+1/2, 1/2, -z'], ['0, y, 1/2', '0, -y, 1/2', '1/2, y+1/2, 1/2', '1/2, -y+1/2, 1/2'], ['0, y, 0', '0, -y, 0', '1/2, y+1/2, 0', '1/2, -y+1/2, 0'], ['1/4, 1/4, 1/2', '3/4, 1/4, 1/2', '3/4, 3/4, 1/2', '5/4, 3/4, 1/2'], ['1/4, 1/4, 0', '3/4, 1/4, 0', '3/4, 3/4, 0', '5/4, 3/4, 0'], ['0, 1/2, 1/2', '1/2, 1, 1/2'], ['0, 0, 1/2', '1/2, 1/2, 1/2'], ['0, 1/2, 0', '1/2, 1, 0'], ['0, 0, 0', '1/2, 1/2, 0']]\"\n13,\"[['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2'], ['1/2, y, 1/4', '1/2, -y, 3/4'], ['0, y, 1/4', '0, -y, 3/4'], ['1/2, 0, 0', '1/2, 0, 1/2'], ['0, 1/2, 0', '0, 1/2, 1/2'], ['1/2, 1/2, 0', '1/2, 1/2, 1/2'], ['0, 0, 0', '0, 0, 1/2']]\"\n14,\"[['x, y, z', '-x, y+1/2, -z+1/2', '-x, -y, -z', 'x, -y+1/2, z+1/2'], ['1/2, 0, 1/2', '1/2, 1/2, 0'], ['0, 0, 1/2', '0, 1/2, 0'], ['1/2, 0, 0', '1/2, 1/2, 1/2'], ['0, 0, 0', '0, 1/2, 1/2']]\"\n15,\"[['x, y, z', '-x, y, -z+1/2', '-x, -y, -z', 'x, -y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, y+1/2, -z+1/2', '-x+1/2, -y+1/2, -z', 'x+1/2, -y+1/2, z+1/2'], ['0, y, 1/4', '0, -y, 3/4', '1/2, y+1/2, 1/4', '1/2, -y+1/2, 3/4'], ['1/4, 1/4, 1/2', '3/4, 1/4, 0', '3/4, 3/4, 1/2', '5/4, 3/4, 0'], ['1/4, 1/4, 0', '3/4, 1/4, 1/2', '3/4, 3/4, 0', '5/4, 3/4, 1/2'], ['0, 1/2, 0', '0, 1/2, 1/2', '1/2, 1, 0', '1/2, 1, 1/2'], ['0, 0, 0', '0, 0, 1/2', '1/2, 1/2, 0', '1/2, 1/2, 1/2']]\"\n16,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['1/2, 1/2, z', '1/2, 1/2, -z'], ['0, 1/2, z', '0, 1/2, -z'], ['1/2, 0, z', '1/2, 0, -z'], ['0, 0, z', '0, 0, -z'], ['1/2, y, 1/2', '1/2, -y, 1/2'], ['1/2, y, 0', '1/2, -y, 0'], ['0, y, 1/2', '0, -y, 1/2'], ['0, y, 0', '0, -y, 0'], ['x, 1/2, 1/2', '-x, 1/2, 1/2'], ['x, 1/2, 0', '-x, 1/2, 0'], ['x, 0, 1/2', '-x, 0, 1/2'], ['x, 0, 0', '-x, 0, 0'], ['1/2, 1/2, 1/2'], ['0, 1/2, 1/2'], ['1/2, 0, 1/2'], ['1/2, 1/2, 0'], ['0, 0, 1/2'], ['0, 1/2, 0'], ['1/2, 0, 0'], ['0, 0, 0']]\"\n17,\"[['x, y, z', '-x, -y, z+1/2', '-x, y, -z+1/2', 'x, -y, -z'], ['1/2, y, 1/4', '1/2, -y, 3/4'], ['0, y, 1/4', '0, -y, 3/4'], ['x, 1/2, 0', '-x, 1/2, 1/2'], ['x, 0, 0', '-x, 0, 1/2']]\"\n18,\"[['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['0, 1/2, z', '1/2, 0, -z'], ['0, 0, z', '1/2, 1/2, -z']]\"\n19,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z']]\"\n20,\"[['x, y, z', '-x, -y, z+1/2', '-x, y, -z+1/2', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z'], ['0, y, 1/4', '0, -y, 3/4', '1/2, y+1/2, 1/4', '1/2, -y+1/2, 3/4'], ['x, 0, 0', '-x, 0, 1/2', 'x+1/2, 1/2, 0', '-x+1/2, 1/2, 1/2']]\"\n21,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['1/4, 1/4, z', '3/4, 1/4, -z', '3/4, 3/4, z', '5/4, 3/4, -z'], ['0, 1/2, z', '0, 1/2, -z', '1/2, 1, z', '1/2, 1, -z'], ['0, 0, z', '0, 0, -z', '1/2, 1/2, z', '1/2, 1/2, -z'], ['0, y, 1/2', '0, -y, 1/2', '1/2, y+1/2, 1/2', '1/2, -y+1/2, 1/2'], ['0, y, 0', '0, -y, 0', '1/2, y+1/2, 0', '1/2, -y+1/2, 0'], ['x, 0, 1/2', '-x, 0, 1/2', 'x+1/2, 1/2, 1/2', '-x+1/2, 1/2, 1/2'], ['x, 0, 0', '-x, 0, 0', 'x+1/2, 1/2, 0', '-x+1/2, 1/2, 0'], ['0, 0, 1/2', '1/2, 1/2, 1/2'], ['1/2, 0, 1/2', '1, 1/2, 1/2'], ['0, 1/2, 0', '1/2, 1, 0'], ['0, 0, 0', '1/2, 1/2, 0']]\"\n22,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z'], ['x, 1/4, 1/4', '-x, 3/4, 1/4', 'x, 3/4, 3/4', '-x, 5/4, 3/4', 'x+1/2, 1/4, 3/4', '-x+1/2, 3/4, 3/4', 'x+1/2, 3/4, 1/4', '-x+1/2, 5/4, 1/4'], ['1/4, y, 1/4', '3/4, -y, 1/4', '1/4, y+1/2, 3/4', '3/4, -y+1/2, 3/4', '3/4, y, 3/4', '5/4, -y, 3/4', '3/4, y+1/2, 1/4', '5/4, -y+1/2, 1/4'], ['1/4, 1/4, z', '3/4, 1/4, -z', '1/4, 3/4, z+1/2', '3/4, 3/4, -z+1/2', '3/4, 1/4, z+1/2', '5/4, 1/4, -z+1/2', '3/4, 3/4, z', '5/4, 3/4, -z'], ['0, 0, z', '0, 0, -z', '0, 1/2, z+1/2', '0, 1/2, -z+1/2', '1/2, 0, z+1/2', '1/2, 0, -z+1/2', '1/2, 1/2, z', '1/2, 1/2, -z'], ['0, y, 0', '0, -y, 0', '0, y+1/2, 1/2', '0, -y+1/2, 1/2', '1/2, y, 1/2', '1/2, -y, 1/2', '1/2, y+1/2, 0', '1/2, -y+1/2, 0'], ['x, 0, 0', '-x, 0, 0', 'x, 1/2, 1/2', '-x, 1/2, 1/2', 'x+1/2, 0, 1/2', '-x+1/2, 0, 1/2', 'x+1/2, 1/2, 0', '-x+1/2, 1/2, 0'], ['1/4, 1/4, 3/4', '1/4, 3/4, 5/4', '3/4, 1/4, 5/4', '3/4, 3/4, 3/4'], ['1/4, 1/4, 1/4', '1/4, 3/4, 3/4', '3/4, 1/4, 3/4', '3/4, 3/4, 1/4'], ['0, 0, 1/2', '0, 1/2, 1', '1/2, 0, 1', '1/2, 1/2, 1/2'], ['0, 0, 0', '0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0']]\"\n23,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2'], ['0, 1/2, z', '0, 1/2, -z', '1/2, 1, z+1/2', '1/2, 1, -z+1/2'], ['0, 0, z', '0, 0, -z', '1/2, 1/2, z+1/2', '1/2, 1/2, -z+1/2'], ['1/2, y, 0', '1/2, -y, 0', '1, y+1/2, 1/2', '1, -y+1/2, 1/2'], ['0, y, 0', '0, -y, 0', '1/2, y+1/2, 1/2', '1/2, -y+1/2, 1/2'], ['x, 0, 1/2', '-x, 0, 1/2', 'x+1/2, 1/2, 1', '-x+1/2, 1/2, 1'], ['x, 0, 0', '-x, 0, 0', 'x+1/2, 1/2, 1/2', '-x+1/2, 1/2, 1/2'], ['0, 1/2, 0', '1/2, 1, 1/2'], ['0, 0, 1/2', '1/2, 1/2, 1'], ['1/2, 0, 0', '1, 1/2, 1/2'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n24,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2'], ['0, 1/4, z', '0, 3/4, -z+1/2', '1/2, 3/4, z+1/2', '1/2, 5/4, -z+1'], ['1/4, y, 0', '1/4, -y, 1/2', '3/4, y+1/2, 1/2', '3/4, -y+1/2, 1'], ['x, 0, 1/4', '-x+1/2, 0, 3/4', 'x+1/2, 1/2, 3/4', '-x+1, 1/2, 5/4']]\"\n25,\"[['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['1/2, y, z', '1/2, -y, z'], ['0, y, z', '0, -y, z'], ['x, 1/2, z', '-x, 1/2, z'], ['x, 0, z', '-x, 0, z'], ['1/2, 1/2, z'], ['1/2, 0, z'], ['0, 1/2, z'], ['0, 0, z']]\"\n26,\"[['x, y, z', '-x, -y, z+1/2', 'x, -y, z+1/2', '-x, y, z'], ['1/2, y, z', '1/2, -y, z+1/2'], ['0, y, z', '0, -y, z+1/2']]\"\n27,\"[['x, y, z', '-x, -y, z', 'x, -y, z+1/2', '-x, y, z+1/2'], ['1/2, 1/2, z', '1/2, 1/2, z+1/2'], ['1/2, 0, z', '1/2, 0, z+1/2'], ['0, 1/2, z', '0, 1/2, z+1/2'], ['0, 0, z', '0, 0, z+1/2']]\"\n28,\"[['x, y, z', '-x, -y, z', 'x+1/2, -y, z', '-x+1/2, y, z'], ['1/4, y, z', '3/4, -y, z'], ['0, 1/2, z', '1/2, 1/2, z'], ['0, 0, z', '1/2, 0, z']]\"\n29,\"[['x, y, z', '-x, -y, z+1/2', 'x+1/2, -y, z', '-x+1/2, y, z+1/2']]\"\n30,\"[['x, y, z', '-x, -y, z', 'x, -y+1/2, z+1/2', '-x, y+1/2, z+1/2'], ['1/2, 0, z', '1/2, 1/2, z+1/2'], ['0, 0, z', '0, 1/2, z+1/2']]\"\n31,\"[['x, y, z', '-x+1/2, -y, z+1/2', 'x+1/2, -y, z+1/2', '-x, y, z'], ['0, y, z', '1/2, -y, z+1/2']]\"\n32,\"[['x, y, z', '-x, -y, z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['0, 1/2, z', '1/2, 0, z'], ['0, 0, z', '1/2, 1/2, z']]\"\n33,\"[['x, y, z', '-x, -y, z+1/2', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z+1/2']]\"\n34,\"[['x, y, z', '-x, -y, z', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2'], ['0, 1/2, z', '1/2, 0, z+1/2'], ['0, 0, z', '1/2, 1/2, z+1/2']]\"\n35,\"[['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['0, y, z', '0, -y, z', '1/2, y+1/2, z', '1/2, -y+1/2, z'], ['x, 0, z', '-x, 0, z', 'x+1/2, 1/2, z', '-x+1/2, 1/2, z'], ['1/4, 1/4, z', '1/4, 3/4, z', '3/4, 3/4, z', '3/4, 5/4, z'], ['0, 1/2, z', '1/2, 1, z'], ['0, 0, z', '1/2, 1/2, z']]\"\n36,\"[['x, y, z', '-x, -y, z+1/2', 'x, -y, z+1/2', '-x, y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z'], ['0, y, z', '0, -y, z+1/2', '1/2, y+1/2, z', '1/2, -y+1/2, z+1/2']]\"\n37,\"[['x, y, z', '-x, -y, z', 'x, -y, z+1/2', '-x, y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2'], ['1/4, 1/4, z', '1/4, 3/4, z+1/2', '3/4, 3/4, z', '3/4, 5/4, z+1/2'], ['0, 1/2, z', '0, 1/2, z+1/2', '1/2, 1, z', '1/2, 1, z+1/2'], ['0, 0, z', '0, 0, z+1/2', '1/2, 1/2, z', '1/2, 1/2, z+1/2']]\"\n38,\"[['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x, -y+1/2, z+1/2', '-x, y+1/2, z+1/2'], ['1/2, y, z', '1/2, -y, z', '1/2, y+1/2, z+1/2', '1/2, -y+1/2, z+1/2'], ['0, y, z', '0, -y, z', '0, y+1/2, z+1/2', '0, -y+1/2, z+1/2'], ['x, 0, z', '-x, 0, z', 'x, 1/2, z+1/2', '-x, 1/2, z+1/2'], ['1/2, 0, z', '1/2, 1/2, z+1/2'], ['0, 0, z', '0, 1/2, z+1/2']]\"\n39,\"[['x, y, z', '-x, -y, z', 'x, -y+1/2, z', '-x, y+1/2, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x, -y+1, z+1/2', '-x, y+1, z+1/2'], ['x, 1/4, z', '-x, 3/4, z', 'x, 3/4, z+1/2', '-x, 5/4, z+1/2'], ['1/2, 0, z', '1/2, 1/2, z', '1/2, 1/2, z+1/2', '1/2, 1, z+1/2'], ['0, 0, z', '0, 1/2, z', '0, 1/2, z+1/2', '0, 1, z+1/2']]\"\n40,\"[['x, y, z', '-x, -y, z', 'x+1/2, -y, z', '-x+1/2, y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2'], ['1/4, y, z', '3/4, -y, z', '1/4, y+1/2, z+1/2', '3/4, -y+1/2, z+1/2'], ['0, 0, z', '1/2, 0, z', '0, 1/2, z+1/2', '1/2, 1/2, z+1/2']]\"\n41,\"[['x, y, z', '-x, -y, z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x+1/2, -y+1, z+1/2', '-x+1/2, y+1, z+1/2'], ['0, 0, z', '1/2, 1/2, z', '0, 1/2, z+1/2', '1/2, 1, z+1/2']]\"\n42,\"[['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x, -y+1/2, z+1/2', '-x, y+1/2, z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', 'x+1/2, -y, z+1/2', '-x+1/2, y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['x, 0, z', '-x, 0, z', 'x, 1/2, z+1/2', '-x, 1/2, z+1/2', 'x+1/2, 0, z+1/2', '-x+1/2, 0, z+1/2', 'x+1/2, 1/2, z', '-x+1/2, 1/2, z'], ['0, y, z', '0, -y, z', '0, y+1/2, z+1/2', '0, -y+1/2, z+1/2', '1/2, y, z+1/2', '1/2, -y, z+1/2', '1/2, y+1/2, z', '1/2, -y+1/2, z'], ['1/4, 1/4, z', '1/4, 3/4, z', '1/4, 3/4, z+1/2', '1/4, 5/4, z+1/2', '3/4, 1/4, z+1/2', '3/4, 3/4, z+1/2', '3/4, 3/4, z', '3/4, 5/4, z'], ['0, 0, z', '0, 1/2, z+1/2', '1/2, 0, z+1/2', '1/2, 1/2, z']]\"\n43,\"[['x, y, z', '-x, -y, z', 'x+1/4, -y+1/4, z+1/4', '-x+1/4, y+1/4, z+1/4', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', 'x+1/4, -y+3/4, z+3/4', '-x+1/4, y+3/4, z+3/4', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', 'x+3/4, -y+1/4, z+3/4', '-x+3/4, y+1/4, z+3/4', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', 'x+3/4, -y+3/4, z+1/4', '-x+3/4, y+3/4, z+1/4'], ['0, 0, z', '1/4, 1/4, z+1/4', '0, 1/2, z+1/2', '1/4, 3/4, z+3/4', '1/2, 0, z+1/2', '3/4, 1/4, z+3/4', '1/2, 1/2, z', '3/4, 3/4, z+1/4']]\"\n44,\"[['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2'], ['0, y, z', '0, -y, z', '1/2, y+1/2, z+1/2', '1/2, -y+1/2, z+1/2'], ['x, 0, z', '-x, 0, z', 'x+1/2, 1/2, z+1/2', '-x+1/2, 1/2, z+1/2'], ['0, 1/2, z', '1/2, 1, z+1/2'], ['0, 0, z', '1/2, 1/2, z+1/2']]\"\n45,\"[['x, y, z', '-x, -y, z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'x+1, -y+1, z+1/2', '-x+1, y+1, z+1/2'], ['0, 1/2, z', '1/2, 0, z', '1/2, 1, z+1/2', '1, 1/2, z+1/2'], ['0, 0, z', '1/2, 1/2, z', '1/2, 1/2, z+1/2', '1, 1, z+1/2']]\"\n46,\"[['x, y, z', '-x, -y, z', 'x+1/2, -y, z', '-x+1/2, y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'x+1, -y+1/2, z+1/2', '-x+1, y+1/2, z+1/2'], ['1/4, y, z', '3/4, -y, z', '3/4, y+1/2, z+1/2', '5/4, -y+1/2, z+1/2'], ['0, 0, z', '1/2, 0, z', '1/2, 1/2, z+1/2', '1, 1/2, z+1/2']]\"\n47,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z'], ['x, y, 1/2', '-x, -y, 1/2', '-x, y, 1/2', 'x, -y, 1/2'], ['x, y, 0', '-x, -y, 0', '-x, y, 0', 'x, -y, 0'], ['x, 1/2, z', '-x, 1/2, z', '-x, 1/2, -z', 'x, 1/2, -z'], ['x, 0, z', '-x, 0, z', '-x, 0, -z', 'x, 0, -z'], ['1/2, y, z', '1/2, -y, z', '1/2, y, -z', '1/2, -y, -z'], ['0, y, z', '0, -y, z', '0, y, -z', '0, -y, -z'], ['1/2, 1/2, z', '1/2, 1/2, -z'], ['1/2, 0, z', '1/2, 0, -z'], ['0, 1/2, z', '0, 1/2, -z'], ['0, 0, z', '0, 0, -z'], ['1/2, y, 1/2', '1/2, -y, 1/2'], ['1/2, y, 0', '1/2, -y, 0'], ['0, y, 1/2', '0, -y, 1/2'], ['0, y, 0', '0, -y, 0'], ['x, 1/2, 1/2', '-x, 1/2, 1/2'], ['x, 1/2, 0', '-x, 1/2, 0'], ['x, 0, 1/2', '-x, 0, 1/2'], ['x, 0, 0', '-x, 0, 0'], ['1/2, 1/2, 1/2'], ['0, 1/2, 1/2'], ['1/2, 1/2, 0'], ['0, 1/2, 0'], ['1/2, 0, 1/2'], ['0, 0, 1/2'], ['1/2, 0, 0'], ['0, 0, 0']]\"\n48,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y, z+1/2', '-x, y+1/2, z+1/2'], ['1/4, 3/4, z', '1/4, 3/4, -z+1/2', '3/4, 1/4, -z', '3/4, 1/4, z+1/2'], ['1/4, 1/4, z', '1/4, 1/4, -z+1/2', '3/4, 3/4, -z', '3/4, 3/4, z+1/2'], ['3/4, y, 1/4', '3/4, -y+1/2, 1/4', '1/4, -y, 3/4', '1/4, y+1/2, 3/4'], ['1/4, y, 1/4', '1/4, -y+1/2, 1/4', '3/4, -y, 3/4', '3/4, y+1/2, 3/4'], ['x, 1/4, 3/4', '-x+1/2, 1/4, 3/4', '-x, 3/4, 1/4', 'x+1/2, 3/4, 1/4'], ['x, 1/4, 1/4', '-x+1/2, 1/4, 1/4', '-x, 3/4, 3/4', 'x+1/2, 3/4, 3/4'], ['0, 0, 0', '1/2, 1/2, 0', '1/2, 0, 1/2', '0, 1/2, 1/2'], ['1/2, 1/2, 1/2', '0, 0, 1/2', '0, 1/2, 0', '1/2, 0, 0'], ['1/4, 3/4, 1/4', '3/4, 1/4, 3/4'], ['1/4, 1/4, 3/4', '3/4, 3/4, 1/4'], ['3/4, 1/4, 1/4', '1/4, 3/4, 3/4'], ['1/4, 1/4, 1/4', '3/4, 3/4, 3/4']]\"\n49,\"[['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', '-x, -y, -z', 'x, y, -z', 'x, -y, z+1/2', '-x, y, z+1/2'], ['x, y, 0', '-x, -y, 0', '-x, y, 1/2', 'x, -y, 1/2'], ['1/2, 0, z', '1/2, 0, -z+1/2', '1/2, 0, -z', '1/2, 0, z+1/2'], ['0, 1/2, z', '0, 1/2, -z+1/2', '0, 1/2, -z', '0, 1/2, z+1/2'], ['1/2, 1/2, z', '1/2, 1/2, -z+1/2', '1/2, 1/2, -z', '1/2, 1/2, z+1/2'], ['0, 0, z', '0, 0, -z+1/2', '0, 0, -z', '0, 0, z+1/2'], ['1/2, y, 1/4', '1/2, -y, 1/4', '1/2, -y, 3/4', '1/2, y, 3/4'], ['0, y, 1/4', '0, -y, 1/4', '0, -y, 3/4', '0, y, 3/4'], ['x, 1/2, 1/4', '-x, 1/2, 1/4', '-x, 1/2, 3/4', 'x, 1/2, 3/4'], ['x, 0, 1/4', '-x, 0, 1/4', '-x, 0, 3/4', 'x, 0, 3/4'], ['1/2, 1/2, 1/4', '1/2, 1/2, 3/4'], ['0, 1/2, 1/4', '0, 1/2, 3/4'], ['1/2, 0, 1/4', '1/2, 0, 3/4'], ['0, 0, 1/4', '0, 0, 3/4'], ['1/2, 0, 0', '1/2, 0, 1/2'], ['0, 1/2, 0', '0, 1/2, 1/2'], ['1/2, 1/2, 0', '1/2, 1/2, 1/2'], ['0, 0, 0', '0, 0, 1/2']]\"\n50,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z', 'x, -y+1/2, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y, z', '-x, y+1/2, z'], ['1/4, 3/4, z', '1/4, 3/4, -z', '3/4, 1/4, -z', '3/4, 1/4, z'], ['1/4, 1/4, z', '1/4, 1/4, -z', '3/4, 3/4, -z', '3/4, 3/4, z'], ['1/4, y, 1/2', '1/4, -y+1/2, 1/2', '3/4, -y, 1/2', '3/4, y+1/2, 1/2'], ['1/4, y, 0', '1/4, -y+1/2, 0', '3/4, -y, 0', '3/4, y+1/2, 0'], ['x, 1/4, 1/2', '-x+1/2, 1/4, 1/2', '-x, 3/4, 1/2', 'x+1/2, 3/4, 1/2'], ['x, 1/4, 0', '-x+1/2, 1/4, 0', '-x, 3/4, 0', 'x+1/2, 3/4, 0'], ['0, 0, 1/2', '1/2, 1/2, 1/2', '1/2, 0, 1/2', '0, 1/2, 1/2'], ['0, 0, 0', '1/2, 1/2, 0', '1/2, 0, 0', '0, 1/2, 0'], ['1/4, 1/4, 1/2', '3/4, 3/4, 1/2'], ['3/4, 1/4, 1/2', '1/4, 3/4, 1/2'], ['3/4, 1/4, 0', '1/4, 3/4, 0'], ['1/4, 1/4, 0', '3/4, 3/4, 0']]\"\n51,\"[['x, y, z', '-x+1/2, -y, z', '-x, y, -z', 'x+1/2, -y, -z', '-x, -y, -z', 'x+1/2, y, -z', 'x, -y, z', '-x+1/2, y, z'], ['1/4, y, z', '1/4, -y, z', '3/4, y, -z', '3/4, -y, -z'], ['x, 1/2, z', '-x+1/2, 1/2, z', '-x, 1/2, -z', 'x+1/2, 1/2, -z'], ['x, 0, z', '-x+1/2, 0, z', '-x, 0, -z', 'x+1/2, 0, -z'], ['0, y, 1/2', '1/2, -y, 1/2', '0, -y, 1/2', '1/2, y, 1/2'], ['0, y, 0', '1/2, -y, 0', '0, -y, 0', '1/2, y, 0'], ['1/4, 1/2, z', '3/4, 1/2, -z'], ['1/4, 0, z', '3/4, 0, -z'], ['0, 1/2, 1/2', '1/2, 1/2, 1/2'], ['0, 0, 1/2', '1/2, 0, 1/2'], ['0, 1/2, 0', '1/2, 1/2, 0'], ['0, 0, 0', '1/2, 0, 0']]\"\n52,\"[['x, y, z', '-x+1/2, -y, z', '-x+1/2, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', '-x, -y, -z', 'x+1/2, y, -z', 'x+1/2, -y+1/2, z+1/2', '-x, y+1/2, z+1/2'], ['x, 1/4, 1/4', '-x+1/2, 3/4, 1/4', '-x, 3/4, 3/4', 'x+1/2, 1/4, 3/4'], ['1/4, 0, z', '1/4, 1/2, -z+1/2', '3/4, 0, -z', '3/4, 1/2, z+1/2'], ['0, 0, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0', '0, 1/2, 0'], ['0, 0, 0', '1/2, 0, 0', '1/2, 1/2, 1/2', '0, 1/2, 1/2']]\"\n53,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x, -y, -z', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x+1/2, -y, z+1/2', '-x, y, z'], ['0, y, z', '1/2, -y, z+1/2', '1/2, y, -z+1/2', '0, -y, -z'], ['1/4, y, 1/4', '1/4, -y, 3/4', '3/4, -y, 3/4', '3/4, y, 1/4'], ['x, 1/2, 0', '-x+1/2, 1/2, 1/2', '-x, 1/2, 0', 'x+1/2, 1/2, 1/2'], ['x, 0, 0', '-x+1/2, 0, 1/2', '-x, 0, 0', 'x+1/2, 0, 1/2'], ['0, 1/2, 0', '1/2, 1/2, 1/2'], ['1/2, 1/2, 0', '0, 1/2, 1/2'], ['1/2, 0, 0', '0, 0, 1/2'], ['0, 0, 0', '1/2, 0, 1/2']]\"\n54,\"[['x, y, z', '-x+1/2, -y, z', '-x, y, -z+1/2', 'x+1/2, -y, -z+1/2', '-x, -y, -z', 'x+1/2, y, -z', 'x, -y, z+1/2', '-x+1/2, y, z+1/2'], ['1/4, 1/2, z', '3/4, 1/2, -z+1/2', '3/4, 1/2, -z', '1/4, 1/2, z+1/2'], ['1/4, 0, z', '3/4, 0, -z+1/2', '3/4, 0, -z', '1/4, 0, z+1/2'], ['0, y, 1/4', '1/2, -y, 1/4', '0, -y, 3/4', '1/2, y, 3/4'], ['0, 1/2, 0', '1/2, 1/2, 0', '0, 1/2, 1/2', '1/2, 1/2, 1/2'], ['0, 0, 0', '1/2, 0, 0', '0, 0, 1/2', '1/2, 0, 1/2']]\"\n55,\"[['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x, y, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['x, y, 1/2', '-x, -y, 1/2', '-x+1/2, y+1/2, 1/2', 'x+1/2, -y+1/2, 1/2'], ['x, y, 0', '-x, -y, 0', '-x+1/2, y+1/2, 0', 'x+1/2, -y+1/2, 0'], ['0, 1/2, z', '1/2, 0, -z', '0, 1/2, -z', '1/2, 0, z'], ['0, 0, z', '1/2, 1/2, -z', '0, 0, -z', '1/2, 1/2, z'], ['0, 1/2, 1/2', '1/2, 0, 1/2'], ['0, 1/2, 0', '1/2, 0, 0'], ['0, 0, 1/2', '1/2, 1/2, 1/2'], ['0, 0, 0', '1/2, 1/2, 0']]\"\n56,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-x, y+1/2, -z+1/2', 'x+1/2, -y, -z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'x, -y+1/2, z+1/2', '-x+1/2, y, z+1/2'], ['1/4, 3/4, z', '3/4, 1/4, -z+1/2', '3/4, 1/4, -z', '1/4, 3/4, z+1/2'], ['1/4, 1/4, z', '3/4, 3/4, -z+1/2', '3/4, 3/4, -z', '1/4, 1/4, z+1/2'], ['0, 0, 1/2', '1/2, 1/2, 1/2', '0, 1/2, 0', '1/2, 0, 0'], ['0, 0, 0', '1/2, 1/2, 0', '0, 1/2, 1/2', '1/2, 0, 1/2']]\"\n57,\"[['x, y, z', '-x, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z', '-x, -y, -z', 'x, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x, y+1/2, z'], ['x, y, 1/4', '-x, -y, 3/4', '-x, y+1/2, 1/4', 'x, -y+1/2, 3/4'], ['x, 1/4, 0', '-x, 3/4, 1/2', '-x, 3/4, 0', 'x, 1/4, 1/2'], ['1/2, 0, 0', '1/2, 0, 1/2', '1/2, 1/2, 1/2', '1/2, 1/2, 0'], ['0, 0, 0', '0, 0, 1/2', '0, 1/2, 1/2', '0, 1/2, 0']]\"\n58,\"[['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', '-x, -y, -z', 'x, y, -z', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2'], ['x, y, 0', '-x, -y, 0', '-x+1/2, y+1/2, 1/2', 'x+1/2, -y+1/2, 1/2'], ['0, 1/2, z', '1/2, 0, -z+1/2', '0, 1/2, -z', '1/2, 0, z+1/2'], ['0, 0, z', '1/2, 1/2, -z+1/2', '0, 0, -z', '1/2, 1/2, z+1/2'], ['0, 1/2, 1/2', '1/2, 0, 0'], ['0, 1/2, 0', '1/2, 0, 1/2'], ['0, 0, 1/2', '1/2, 1/2, 0'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n59,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-x, y+1/2, -z', 'x+1/2, -y, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'x, -y+1/2, z', '-x+1/2, y, z'], ['x, 1/4, z', '-x+1/2, 1/4, z', '-x, 3/4, -z', 'x+1/2, 3/4, -z'], ['1/4, y, z', '1/4, -y+1/2, z', '3/4, y+1/2, -z', '3/4, -y, -z'], ['0, 0, 1/2', '1/2, 1/2, 1/2', '0, 1/2, 1/2', '1/2, 0, 1/2'], ['0, 0, 0', '1/2, 1/2, 0', '0, 1/2, 0', '1/2, 0, 0'], ['1/4, 3/4, z', '3/4, 1/4, -z'], ['1/4, 1/4, z', '3/4, 3/4, -z']]\"\n60,\"[['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-x, y, -z+1/2', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z+1/2', 'x, -y, z+1/2', '-x+1/2, y+1/2, z'], ['0, y, 1/4', '1/2, -y+1/2, 3/4', '0, -y, 3/4', '1/2, y+1/2, 1/4'], ['0, 1/2, 0', '1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 0, 0'], ['0, 0, 0', '1/2, 1/2, 1/2', '0, 0, 1/2', '1/2, 1/2, 0']]\"\n61,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z'], ['0, 0, 1/2', '1/2, 0, 0', '0, 1/2, 0', '1/2, 1/2, 1/2'], ['0, 0, 0', '1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 0']]\"\n62,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z', 'x+1/2, -y+1/2, -z+1/2', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z', '-x+1/2, y+1/2, z+1/2'], ['x, 1/4, z', '-x+1/2, 3/4, z+1/2', '-x, 3/4, -z', 'x+1/2, 1/4, -z+1/2'], ['0, 0, 1/2', '1/2, 0, 0', '0, 1/2, 1/2', '1/2, 1/2, 0'], ['0, 0, 0', '1/2, 0, 1/2', '0, 1/2, 0', '1/2, 1/2, 1/2']]\"\n63,\"[['x, y, z', '-x, -y, z+1/2', '-x, y, -z+1/2', 'x, -y, -z', '-x, -y, -z', 'x, y, -z+1/2', 'x, -y, z+1/2', '-x, y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z'], ['x, y, 1/4', '-x, -y, 3/4', '-x, y, 1/4', 'x, -y, 3/4', 'x+1/2, y+1/2, 1/4', '-x+1/2, -y+1/2, 3/4', '-x+1/2, y+1/2, 1/4', 'x+1/2, -y+1/2, 3/4'], ['0, y, z', '0, -y, z+1/2', '0, y, -z+1/2', '0, -y, -z', '1/2, y+1/2, z', '1/2, -y+1/2, z+1/2', '1/2, y+1/2, -z+1/2', '1/2, -y+1/2, -z'], ['x, 0, 0', '-x, 0, 1/2', '-x, 0, 0', 'x, 0, 1/2', 'x+1/2, 1/2, 0', '-x+1/2, 1/2, 1/2', '-x+1/2, 1/2, 0', 'x+1/2, 1/2, 1/2'], ['1/4, 1/4, 0', '3/4, 3/4, 1/2', '3/4, 1/4, 1/2', '1/4, 3/4, 0', '3/4, 3/4, 0', '5/4, 5/4, 1/2', '5/4, 3/4, 1/2', '3/4, 5/4, 0'], ['0, y, 1/4', '0, -y, 3/4', '1/2, y+1/2, 1/4', '1/2, -y+1/2, 3/4'], ['0, 1/2, 0', '0, 1/2, 1/2', '1/2, 1, 0', '1/2, 1, 1/2'], ['0, 0, 0', '0, 0, 1/2', '1/2, 1/2, 0', '1/2, 1/2, 1/2']]\"\n64,\"[['x, y, z', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y, -z', '-x, -y, -z', 'x, y+1/2, -z+1/2', 'x, -y+1/2, z+1/2', '-x, y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z+1/2', '-x+1/2, y+1, -z+1/2', 'x+1/2, -y+1/2, -z', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1, -z+1/2', 'x+1/2, -y+1, z+1/2', '-x+1/2, y+1/2, z'], ['0, y, z', '0, -y+1/2, z+1/2', '0, y+1/2, -z+1/2', '0, -y, -z', '1/2, y+1/2, z', '1/2, -y+1, z+1/2', '1/2, y+1, -z+1/2', '1/2, -y+1/2, -z'], ['1/4, y, 1/4', '3/4, -y+1/2, 3/4', '3/4, -y, 3/4', '1/4, y+1/2, 1/4', '3/4, y+1/2, 1/4', '5/4, -y+1, 3/4', '5/4, -y+1/2, 3/4', '3/4, y+1, 1/4'], ['x, 0, 0', '-x, 1/2, 1/2', '-x, 0, 0', 'x, 1/2, 1/2', 'x+1/2, 1/2, 0', '-x+1/2, 1, 1/2', '-x+1/2, 1/2, 0', 'x+1/2, 1, 1/2'], ['1/4, 1/4, 0', '3/4, 1/4, 1/2', '3/4, 3/4, 1/2', '1/4, 3/4, 0', '3/4, 3/4, 0', '5/4, 3/4, 1/2', '5/4, 5/4, 1/2', '3/4, 5/4, 0'], ['1/2, 0, 0', '1/2, 1/2, 1/2', '1, 1/2, 0', '1, 1, 1/2'], ['0, 0, 0', '0, 1/2, 1/2', '1/2, 1/2, 0', '1/2, 1, 1/2']]\"\n65,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['x, y, 1/2', '-x, -y, 1/2', '-x, y, 1/2', 'x, -y, 1/2', 'x+1/2, y+1/2, 1/2', '-x+1/2, -y+1/2, 1/2', '-x+1/2, y+1/2, 1/2', 'x+1/2, -y+1/2, 1/2'], ['x, y, 0', '-x, -y, 0', '-x, y, 0', 'x, -y, 0', 'x+1/2, y+1/2, 0', '-x+1/2, -y+1/2, 0', '-x+1/2, y+1/2, 0', 'x+1/2, -y+1/2, 0'], ['x, 0, z', '-x, 0, z', '-x, 0, -z', 'x, 0, -z', 'x+1/2, 1/2, z', '-x+1/2, 1/2, z', '-x+1/2, 1/2, -z', 'x+1/2, 1/2, -z'], ['0, y, z', '0, -y, z', '0, y, -z', '0, -y, -z', '1/2, y+1/2, z', '1/2, -y+1/2, z', '1/2, y+1/2, -z', '1/2, -y+1/2, -z'], ['1/4, 1/4, z', '3/4, 1/4, -z', '3/4, 3/4, -z', '1/4, 3/4, z', '3/4, 3/4, z', '5/4, 3/4, -z', '5/4, 5/4, -z', '3/4, 5/4, z'], ['0, 1/2, z', '0, 1/2, -z', '1/2, 1, z', '1/2, 1, -z'], ['0, 0, z', '0, 0, -z', '1/2, 1/2, z', '1/2, 1/2, -z'], ['0, y, 1/2', '0, -y, 1/2', '1/2, y+1/2, 1/2', '1/2, -y+1/2, 1/2'], ['0, y, 0', '0, -y, 0', '1/2, y+1/2, 0', '1/2, -y+1/2, 0'], ['x, 0, 1/2', '-x, 0, 1/2', 'x+1/2, 1/2, 1/2', '-x+1/2, 1/2, 1/2'], ['x, 0, 0', '-x, 0, 0', 'x+1/2, 1/2, 0', '-x+1/2, 1/2, 0'], ['1/4, 1/4, 1/2', '3/4, 1/4, 1/2', '3/4, 3/4, 1/2', '5/4, 3/4, 1/2'], ['1/4, 1/4, 0', '3/4, 1/4, 0', '3/4, 3/4, 0', '5/4, 3/4, 0'], ['0, 0, 1/2', '1/2, 1/2, 1/2'], ['1/2, 0, 1/2', '1, 1/2, 1/2'], ['1/2, 0, 0', '1, 1/2, 0'], ['0, 0, 0', '1/2, 1/2, 0']]\"\n66,\"[['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', '-x, -y, -z', 'x, y, -z', 'x, -y, z+1/2', '-x, y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2'], ['x, y, 0', '-x, -y, 0', '-x, y, 1/2', 'x, -y, 1/2', 'x+1/2, y+1/2, 0', '-x+1/2, -y+1/2, 0', '-x+1/2, y+1/2, 1/2', 'x+1/2, -y+1/2, 1/2'], ['1/4, 1/4, z', '3/4, 1/4, -z+1/2', '3/4, 3/4, -z', '1/4, 3/4, z+1/2', '3/4, 3/4, z', '5/4, 3/4, -z+1/2', '5/4, 5/4, -z', '3/4, 5/4, z+1/2'], ['0, 1/2, z', '0, 1/2, -z+1/2', '0, 1/2, -z', '0, 1/2, z+1/2', '1/2, 1, z', '1/2, 1, -z+1/2', '1/2, 1, -z', '1/2, 1, z+1/2'], ['0, 0, z', '0, 0, -z+1/2', '0, 0, -z', '0, 0, z+1/2', '1/2, 1/2, z', '1/2, 1/2, -z+1/2', '1/2, 1/2, -z', '1/2, 1/2, z+1/2'], ['0, y, 1/4', '0, -y, 1/4', '0, -y, 3/4', '0, y, 3/4', '1/2, y+1/2, 1/4', '1/2, -y+1/2, 1/4', '1/2, -y+1/2, 3/4', '1/2, y+1/2, 3/4'], ['x, 0, 1/4', '-x, 0, 1/4', '-x, 0, 3/4', 'x, 0, 3/4', 'x+1/2, 1/2, 1/4', '-x+1/2, 1/2, 1/4', '-x+1/2, 1/2, 3/4', 'x+1/2, 1/2, 3/4'], ['1/4, 3/4, 0', '3/4, 3/4, 1/2', '3/4, 5/4, 0', '5/4, 5/4, 1/2'], ['1/4, 1/4, 0', '3/4, 1/4, 1/2', '3/4, 3/4, 0', '5/4, 3/4, 1/2'], ['0, 1/2, 0', '0, 1/2, 1/2', '1/2, 1, 0', '1/2, 1, 1/2'], ['0, 0, 0', '0, 0, 1/2', '1/2, 1/2, 0', '1/2, 1/2, 1/2'], ['0, 1/2, 1/4', '0, 1/2, 3/4', '1/2, 1, 1/4', '1/2, 1, 3/4'], ['0, 0, 1/4', '0, 0, 3/4', '1/2, 1/2, 1/4', '1/2, 1/2, 3/4']]\"\n67,\"[['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z', '-x, -y, -z', 'x, y+1/2, -z', 'x, -y+1/2, z', '-x, y, z', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z', '-x+1/2, y+1, -z', 'x+1/2, -y+1/2, -z', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1, -z', 'x+1/2, -y+1, z', '-x+1/2, y+1/2, z'], ['x, 1/4, z', '-x, 1/4, z', '-x, 3/4, -z', 'x, 3/4, -z', 'x+1/2, 3/4, z', '-x+1/2, 3/4, z', '-x+1/2, 5/4, -z', 'x+1/2, 5/4, -z'], ['0, y, z', '0, -y+1/2, z', '0, y+1/2, -z', '0, -y, -z', '1/2, y+1/2, z', '1/2, -y+1, z', '1/2, y+1, -z', '1/2, -y+1/2, -z'], ['1/4, 0, z', '3/4, 1/2, -z', '3/4, 0, -z', '1/4, 1/2, z', '3/4, 1/2, z', '5/4, 1, -z', '5/4, 1/2, -z', '3/4, 1, z'], ['1/4, y, 1/2', '3/4, -y+1/2, 1/2', '3/4, -y, 1/2', '1/4, y+1/2, 1/2', '3/4, y+1/2, 1/2', '5/4, -y+1, 1/2', '5/4, -y+1/2, 1/2', '3/4, y+1, 1/2'], ['1/4, y, 0', '3/4, -y+1/2, 0', '3/4, -y, 0', '1/4, y+1/2, 0', '3/4, y+1/2, 0', '5/4, -y+1, 0', '5/4, -y+1/2, 0', '3/4, y+1, 0'], ['x, 0, 1/2', '-x, 1/2, 1/2', '-x, 0, 1/2', 'x, 1/2, 1/2', 'x+1/2, 1/2, 1/2', '-x+1/2, 1, 1/2', '-x+1/2, 1/2, 1/2', 'x+1/2, 1, 1/2'], ['x, 0, 0', '-x, 1/2, 0', '-x, 0, 0', 'x, 1/2, 0', 'x+1/2, 1/2, 0', '-x+1/2, 1, 0', '-x+1/2, 1/2, 0', 'x+1/2, 1, 0'], ['0, 1/4, z', '0, 3/4, -z', '1/2, 3/4, z', '1/2, 5/4, -z'], ['1/4, 1/4, 1/2', '3/4, 1/4, 1/2', '3/4, 3/4, 1/2', '5/4, 3/4, 1/2'], ['1/4, 1/4, 0', '3/4, 1/4, 0', '3/4, 3/4, 0', '5/4, 3/4, 0'], ['0, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 1/2', '1/2, 1, 1/2'], ['0, 0, 0', '0, 1/2, 0', '1/2, 1/2, 0', '1/2, 1, 0'], ['1/4, 0, 1/2', '3/4, 0, 1/2', '3/4, 1/2, 1/2', '5/4, 1/2, 1/2'], ['1/4, 0, 0', '3/4, 0, 0', '3/4, 1/2, 0', '5/4, 1/2, 0']]\"\n68,\"[['x, y, z', '-x+1/2, -y, z', '-x, y, -z+1/2', 'x+1/2, -y, -z+1/2', '-x, -y, -z', 'x+1/2, y, -z', 'x, -y, z+1/2', '-x+1/2, y, z+1/2', 'x+1/2, y+1/2, z', '-x+1, -y+1/2, z', '-x+1/2, y+1/2, -z+1/2', 'x+1, -y+1/2, -z+1/2', '-x+1/2, -y+1/2, -z', 'x+1, y+1/2, -z', 'x+1/2, -y+1/2, z+1/2', '-x+1, y+1/2, z+1/2'], ['1/4, 0, z', '3/4, 0, -z+1/2', '3/4, 0, -z', '1/4, 0, z+1/2', '3/4, 1/2, z', '5/4, 1/2, -z+1/2', '5/4, 1/2, -z', '3/4, 1/2, z+1/2'], ['0, 1/4, z', '0, 1/4, -z+1/2', '0, 3/4, -z', '0, 3/4, z+1/2', '1/2, 3/4, z', '1/2, 3/4, -z+1/2', '1/2, 5/4, -z', '1/2, 5/4, z+1/2'], ['0, y, 1/4', '1/2, -y, 1/4', '0, -y, 3/4', '1/2, y, 3/4', '1/2, y+1/2, 1/4', '1, -y+1/2, 1/4', '1/2, -y+1/2, 3/4', '1, y+1/2, 3/4'], ['x, 1/4, 1/4', '-x+1/2, 3/4, 1/4', '-x, 3/4, 3/4', 'x+1/2, 1/4, 3/4', 'x+1/2, 3/4, 1/4', '-x+1, 5/4, 1/4', '-x+1/2, 5/4, 3/4', 'x+1, 3/4, 3/4'], ['0, 0, 0', '1/2, 0, 0', '0, 0, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0', '1, 1/2, 0', '1/2, 1/2, 1/2', '1, 1/2, 1/2'], ['1/4, 3/4, 0', '1/4, 1/4, 0', '3/4, 3/4, 1/2', '3/4, 1/4, 1/2', '3/4, 5/4, 0', '3/4, 3/4, 0', '5/4, 5/4, 1/2', '5/4, 3/4, 1/2'], ['0, 1/4, 3/4', '0, 3/4, 1/4', '1/2, 3/4, 3/4', '1/2, 5/4, 1/4'], ['0, 1/4, 1/4', '0, 3/4, 3/4', '1/2, 3/4, 1/4', '1/2, 5/4, 3/4']]\"\n69,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', '-x, -y+1/2, -z+1/2', 'x, y+1/2, -z+1/2', 'x, -y+1/2, z+1/2', '-x, y+1/2, z+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', '-x+1/2, -y, -z+1/2', 'x+1/2, y, -z+1/2', 'x+1/2, -y, z+1/2', '-x+1/2, y, z+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-x+1/2, -y+1/2, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z'], ['x, y, 0', '-x, -y, 0', '-x, y, 0', 'x, -y, 0', 'x, y+1/2, 1/2', '-x, -y+1/2, 1/2', '-x, y+1/2, 1/2', 'x, -y+1/2, 1/2', 'x+1/2, y, 1/2', '-x+1/2, -y, 1/2', '-x+1/2, y, 1/2', 'x+1/2, -y, 1/2', 'x+1/2, y+1/2, 0', '-x+1/2, -y+1/2, 0', '-x+1/2, y+1/2, 0', 'x+1/2, -y+1/2, 0'], ['x, 0, z', '-x, 0, z', '-x, 0, -z', 'x, 0, -z', 'x, 1/2, z+1/2', '-x, 1/2, z+1/2', '-x, 1/2, -z+1/2', 'x, 1/2, -z+1/2', 'x+1/2, 0, z+1/2', '-x+1/2, 0, z+1/2', '-x+1/2, 0, -z+1/2', 'x+1/2, 0, -z+1/2', 'x+1/2, 1/2, z', '-x+1/2, 1/2, z', '-x+1/2, 1/2, -z', 'x+1/2, 1/2, -z'], ['0, y, z', '0, -y, z', '0, y, -z', '0, -y, -z', '0, y+1/2, z+1/2', '0, -y+1/2, z+1/2', '0, y+1/2, -z+1/2', '0, -y+1/2, -z+1/2', '1/2, y, z+1/2', '1/2, -y, z+1/2', '1/2, y, -z+1/2', '1/2, -y, -z+1/2', '1/2, y+1/2, z', '1/2, -y+1/2, z', '1/2, y+1/2, -z', '1/2, -y+1/2, -z'], ['x, 1/4, 1/4', '-x, 3/4, 1/4', '-x, 3/4, 3/4', 'x, 1/4, 3/4', 'x, 3/4, 3/4', '-x, 5/4, 3/4', '-x, 5/4, 5/4', 'x, 3/4, 5/4', 'x+1/2, 1/4, 3/4', '-x+1/2, 3/4, 3/4', '-x+1/2, 3/4, 5/4', 'x+1/2, 1/4, 5/4', 'x+1/2, 3/4, 1/4', '-x+1/2, 5/4, 1/4', '-x+1/2, 5/4, 3/4', 'x+1/2, 3/4, 3/4'], ['1/4, y, 1/4', '3/4, -y, 1/4', '3/4, -y, 3/4', '1/4, y, 3/4', '1/4, y+1/2, 3/4', '3/4, -y+1/2, 3/4', '3/4, -y+1/2, 5/4', '1/4, y+1/2, 5/4', '3/4, y, 3/4', '5/4, -y, 3/4', '5/4, -y, 5/4', '3/4, y, 5/4', '3/4, y+1/2, 1/4', '5/4, -y+1/2, 1/4', '5/4, -y+1/2, 3/4', '3/4, y+1/2, 3/4'], ['1/4, 1/4, z', '3/4, 1/4, -z', '3/4, 3/4, -z', '1/4, 3/4, z', '1/4, 3/4, z+1/2', '3/4, 3/4, -z+1/2', '3/4, 5/4, -z+1/2', '1/4, 5/4, z+1/2', '3/4, 1/4, z+1/2', '5/4, 1/4, -z+1/2', '5/4, 3/4, -z+1/2', '3/4, 3/4, z+1/2', '3/4, 3/4, z', '5/4, 3/4, -z', '5/4, 5/4, -z', '3/4, 5/4, z'], ['0, 0, z', '0, 0, -z', '0, 1/2, z+1/2', '0, 1/2, -z+1/2', '1/2, 0, z+1/2', '1/2, 0, -z+1/2', '1/2, 1/2, z', '1/2, 1/2, -z'], ['0, y, 0', '0, -y, 0', '0, y+1/2, 1/2', '0, -y+1/2, 1/2', '1/2, y, 1/2', '1/2, -y, 1/2', '1/2, y+1/2, 0', '1/2, -y+1/2, 0'], ['x, 0, 0', '-x, 0, 0', 'x, 1/2, 1/2', '-x, 1/2, 1/2', 'x+1/2, 0, 1/2', '-x+1/2, 0, 1/2', 'x+1/2, 1/2, 0', '-x+1/2, 1/2, 0'], ['1/4, 1/4, 1/4', '3/4, 3/4, 3/4', '1/4, 3/4, 3/4', '3/4, 5/4, 5/4', '3/4, 1/4, 3/4', '5/4, 3/4, 5/4', '3/4, 3/4, 1/4', '5/4, 5/4, 3/4'], ['1/4, 1/4, 0', '3/4, 1/4, 0', '1/4, 3/4, 1/2', '3/4, 3/4, 1/2', '3/4, 1/4, 1/2', '5/4, 1/4, 1/2', '3/4, 3/4, 0', '5/4, 3/4, 0'], ['1/4, 0, 1/4', '3/4, 0, 1/4', '1/4, 1/2, 3/4', '3/4, 1/2, 3/4', '3/4, 0, 3/4', '5/4, 0, 3/4', '3/4, 1/2, 1/4', '5/4, 1/2, 1/4'], ['0, 1/4, 1/4', '0, 3/4, 1/4', '0, 3/4, 3/4', '0, 5/4, 3/4', '1/2, 1/4, 3/4', '1/2, 3/4, 3/4', '1/2, 3/4, 1/4', '1/2, 5/4, 1/4'], ['0, 0, 1/2', '0, 1/2, 1', '1/2, 0, 1', '1/2, 1/2, 1/2'], ['0, 0, 0', '0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0']]\"\n70,\"[['x, y, z', '-x+3/4, -y+3/4, z', '-x+3/4, y, -z+3/4', 'x, -y+3/4, -z+3/4', '-x, -y, -z', 'x+1/4, y+1/4, -z', 'x+1/4, -y, z+1/4', '-x, y+1/4, z+1/4', 'x, y+1/2, z+1/2', '-x+3/4, -y+5/4, z+1/2', '-x+3/4, y+1/2, -z+5/4', 'x, -y+5/4, -z+5/4', '-x, -y+1/2, -z+1/2', 'x+1/4, y+3/4, -z+1/2', 'x+1/4, -y+1/2, z+3/4', '-x, y+3/4, z+3/4', 'x+1/2, y, z+1/2', '-x+5/4, -y+3/4, z+1/2', '-x+5/4, y, -z+5/4', 'x+1/2, -y+3/4, -z+5/4', '-x+1/2, -y, -z+1/2', 'x+3/4, y+1/4, -z+1/2', 'x+3/4, -y, z+3/4', '-x+1/2, y+1/4, z+3/4', 'x+1/2, y+1/2, z', '-x+5/4, -y+5/4, z', '-x+5/4, y+1/2, -z+3/4', 'x+1/2, -y+5/4, -z+3/4', '-x+1/2, -y+1/2, -z', 'x+3/4, y+3/4, -z', 'x+3/4, -y+1/2, z+1/4', '-x+1/2, y+3/4, z+1/4'], ['1/8, 1/8, z', '5/8, 1/8, -z+3/4', '7/8, 7/8, -z', '3/8, 7/8, z+1/4', '1/8, 5/8, z+1/2', '5/8, 5/8, -z+5/4', '7/8, 11/8, -z+1/2', '3/8, 11/8, z+3/4', '5/8, 1/8, z+1/2', '9/8, 1/8, -z+5/4', '11/8, 7/8, -z+1/2', '7/8, 7/8, z+3/4', '5/8, 5/8, z', '9/8, 5/8, -z+3/4', '11/8, 11/8, -z', '7/8, 11/8, z+1/4'], ['1/8, y, 1/8', '5/8, -y+3/4, 1/8', '7/8, -y, 7/8', '3/8, y+1/4, 7/8', '1/8, y+1/2, 5/8', '5/8, -y+5/4, 5/8', '7/8, -y+1/2, 11/8', '3/8, y+3/4, 11/8', '5/8, y, 5/8', '9/8, -y+3/4, 5/8', '11/8, -y, 11/8', '7/8, y+1/4, 11/8', '5/8, y+1/2, 1/8', '9/8, -y+5/4, 1/8', '11/8, -y+1/2, 7/8', '7/8, y+3/4, 7/8'], ['x, 1/8, 1/8', '-x+3/4, 5/8, 1/8', '-x, 7/8, 7/8', 'x+1/4, 3/8, 7/8', 'x, 5/8, 5/8', '-x+3/4, 9/8, 5/8', '-x, 11/8, 11/8', 'x+1/4, 7/8, 11/8', 'x+1/2, 1/8, 5/8', '-x+5/4, 5/8, 5/8', '-x+1/2, 7/8, 11/8', 'x+3/4, 3/8, 11/8', 'x+1/2, 5/8, 1/8', '-x+5/4, 9/8, 1/8', '-x+1/2, 11/8, 7/8', 'x+3/4, 7/8, 7/8'], ['1/2, 1/2, 1/2', '1/4, 1/4, 1/2', '1/4, 1/2, 1/4', '1/2, 1/4, 1/4', '1/2, 1, 1', '1/4, 3/4, 1', '1/4, 1, 3/4', '1/2, 3/4, 3/4', '1, 1/2, 1', '3/4, 1/4, 1', '3/4, 1/2, 3/4', '1, 1/4, 3/4', '1, 1, 1/2', '3/4, 3/4, 1/2', '3/4, 1, 1/4', '1, 3/4, 1/4'], ['0, 0, 0', '3/4, 3/4, 0', '3/4, 0, 3/4', '0, 3/4, 3/4', '0, 1/2, 1/2', '3/4, 5/4, 1/2', '3/4, 1/2, 5/4', '0, 5/4, 5/4', '1/2, 0, 1/2', '5/4, 3/4, 1/2', '5/4, 0, 5/4', '1/2, 3/4, 5/4', '1/2, 1/2, 0', '5/4, 5/4, 0', '5/4, 1/2, 3/4', '1/2, 5/4, 3/4'], ['1/8, 1/8, 5/8', '7/8, 7/8, 3/8', '1/8, 5/8, 9/8', '7/8, 11/8, 7/8', '5/8, 1/8, 9/8', '11/8, 7/8, 7/8', '5/8, 5/8, 5/8', '11/8, 11/8, 3/8'], ['1/8, 1/8, 1/8', '7/8, 7/8, 7/8', '1/8, 5/8, 5/8', '7/8, 11/8, 11/8', '5/8, 1/8, 5/8', '11/8, 7/8, 11/8', '5/8, 5/8, 1/8', '11/8, 11/8, 7/8']]\"\n71,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2'], ['x, y, 0', '-x, -y, 0', '-x, y, 0', 'x, -y, 0', 'x+1/2, y+1/2, 1/2', '-x+1/2, -y+1/2, 1/2', '-x+1/2, y+1/2, 1/2', 'x+1/2, -y+1/2, 1/2'], ['x, 0, z', '-x, 0, z', '-x, 0, -z', 'x, 0, -z', 'x+1/2, 1/2, z+1/2', '-x+1/2, 1/2, z+1/2', '-x+1/2, 1/2, -z+1/2', 'x+1/2, 1/2, -z+1/2'], ['0, y, z', '0, -y, z', '0, y, -z', '0, -y, -z', '1/2, y+1/2, z+1/2', '1/2, -y+1/2, z+1/2', '1/2, y+1/2, -z+1/2', '1/2, -y+1/2, -z+1/2'], ['1/4, 1/4, 1/4', '3/4, 3/4, 1/4', '3/4, 1/4, 3/4', '1/4, 3/4, 3/4', '3/4, 3/4, 3/4', '5/4, 5/4, 3/4', '5/4, 3/4, 5/4', '3/4, 5/4, 5/4'], ['1/2, 0, z', '1/2, 0, -z', '1, 1/2, z+1/2', '1, 1/2, -z+1/2'], ['0, 0, z', '0, 0, -z', '1/2, 1/2, z+1/2', '1/2, 1/2, -z+1/2'], ['0, y, 1/2', '0, -y, 1/2', '1/2, y+1/2, 1', '1/2, -y+1/2, 1'], ['0, y, 0', '0, -y, 0', '1/2, y+1/2, 1/2', '1/2, -y+1/2, 1/2'], ['x, 1/2, 0', '-x, 1/2, 0', 'x+1/2, 1, 1/2', '-x+1/2, 1, 1/2'], ['x, 0, 0', '-x, 0, 0', 'x+1/2, 1/2, 1/2', '-x+1/2, 1/2, 1/2'], ['1/2, 0, 1/2', '1, 1/2, 1'], ['1/2, 1/2, 0', '1, 1, 1/2'], ['0, 1/2, 1/2', '1/2, 1, 1'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n72,\"[['x, y, z', '-x, -y, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x, y, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1, y+1, -z+1/2', 'x+1, -y+1, -z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1/2, -z+1/2', 'x+1, -y+1, z+1/2', '-x+1, y+1, z+1/2'], ['x, y, 0', '-x, -y, 0', '-x+1/2, y+1/2, 0', 'x+1/2, -y+1/2, 0', 'x+1/2, y+1/2, 1/2', '-x+1/2, -y+1/2, 1/2', '-x+1, y+1, 1/2', 'x+1, -y+1, 1/2'], ['0, 1/2, z', '1/2, 0, -z', '0, 1/2, -z', '1/2, 0, z', '1/2, 1, z+1/2', '1, 1/2, -z+1/2', '1/2, 1, -z+1/2', '1, 1/2, z+1/2'], ['0, 0, z', '1/2, 1/2, -z', '0, 0, -z', '1/2, 1/2, z', '1/2, 1/2, z+1/2', '1, 1, -z+1/2', '1/2, 1/2, -z+1/2', '1, 1, z+1/2'], ['0, y, 1/4', '0, -y, 1/4', '0, -y, 3/4', '0, y, 3/4', '1/2, y+1/2, 3/4', '1/2, -y+1/2, 3/4', '1/2, -y+1/2, 5/4', '1/2, y+1/2, 5/4'], ['x, 0, 1/4', '-x, 0, 1/4', '-x, 0, 3/4', 'x, 0, 3/4', 'x+1/2, 1/2, 3/4', '-x+1/2, 1/2, 3/4', '-x+1/2, 1/2, 5/4', 'x+1/2, 1/2, 5/4'], ['1/4, 1/4, 1/4', '3/4, 3/4, 1/4', '1/4, 3/4, 3/4', '3/4, 1/4, 3/4', '3/4, 3/4, 3/4', '5/4, 5/4, 3/4', '3/4, 5/4, 5/4', '5/4, 3/4, 5/4'], ['1/2, 0, 0', '0, 1/2, 0', '1, 1/2, 1/2', '1/2, 1, 1/2'], ['0, 0, 0', '1/2, 1/2, 0', '1/2, 1/2, 1/2', '1, 1, 1/2'], ['1/2, 0, 1/4', '1/2, 0, 3/4', '1, 1/2, 3/4', '1, 1/2, 5/4'], ['0, 0, 1/4', '0, 0, 3/4', '1/2, 1/2, 3/4', '1/2, 1/2, 5/4']]\"\n73,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1, y+1/2, -z+1', 'x+1/2, -y+1, z+1', '-x+1, y+1, z+1/2'], ['0, 1/4, z', '0, 3/4, -z+1/2', '0, 3/4, -z', '0, 1/4, z+1/2', '1/2, 3/4, z+1/2', '1/2, 5/4, -z+1', '1/2, 5/4, -z+1/2', '1/2, 3/4, z+1'], ['1/4, y, 0', '1/4, -y, 1/2', '3/4, -y, 0', '3/4, y, 1/2', '3/4, y+1/2, 1/2', '3/4, -y+1/2, 1', '5/4, -y+1/2, 1/2', '5/4, y+1/2, 1'], ['x, 0, 1/4', '-x+1/2, 0, 3/4', '-x, 0, 3/4', 'x+1/2, 0, 1/4', 'x+1/2, 1/2, 3/4', '-x+1, 1/2, 5/4', '-x+1/2, 1/2, 5/4', 'x+1, 1/2, 3/4'], ['1/4, 1/4, 1/4', '1/4, 3/4, 3/4', '3/4, 3/4, 1/4', '3/4, 1/4, 3/4', '3/4, 3/4, 3/4', '3/4, 5/4, 5/4', '5/4, 5/4, 3/4', '5/4, 3/4, 5/4'], ['0, 0, 0', '1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 0', '1/2, 1/2, 1/2', '1, 1/2, 1', '1/2, 1, 1', '1, 1, 1/2']]\"\n74,\"[['x, y, z', '-x, -y+1/2, z', '-x, y+1/2, -z', 'x, -y, -z', '-x, -y, -z', 'x, y+1/2, -z', 'x, -y+1/2, z', '-x, y, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1, z+1/2', '-x+1/2, y+1, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1, -z+1/2', 'x+1/2, -y+1, z+1/2', '-x+1/2, y+1/2, z+1/2'], ['x, 1/4, z', '-x, 1/4, z', '-x, 3/4, -z', 'x, 3/4, -z', 'x+1/2, 3/4, z+1/2', '-x+1/2, 3/4, z+1/2', '-x+1/2, 5/4, -z+1/2', 'x+1/2, 5/4, -z+1/2'], ['0, y, z', '0, -y+1/2, z', '0, y+1/2, -z', '0, -y, -z', '1/2, y+1/2, z+1/2', '1/2, -y+1, z+1/2', '1/2, y+1, -z+1/2', '1/2, -y+1/2, -z+1/2'], ['1/4, y, 1/4', '3/4, -y+1/2, 1/4', '3/4, -y, 3/4', '1/4, y+1/2, 3/4', '3/4, y+1/2, 3/4', '5/4, -y+1, 3/4', '5/4, -y+1/2, 5/4', '3/4, y+1, 5/4'], ['x, 0, 0', '-x, 1/2, 0', '-x, 0, 0', 'x, 1/2, 0', 'x+1/2, 1/2, 1/2', '-x+1/2, 1, 1/2', '-x+1/2, 1/2, 1/2', 'x+1/2, 1, 1/2'], ['0, 1/4, z', '0, 3/4, -z', '1/2, 3/4, z+1/2', '1/2, 5/4, -z+1/2'], ['1/4, 1/4, 3/4', '3/4, 1/4, 3/4', '3/4, 3/4, 5/4', '5/4, 3/4, 5/4'], ['1/4, 1/4, 1/4', '3/4, 1/4, 1/4', '3/4, 3/4, 3/4', '5/4, 3/4, 3/4'], ['0, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 1', '1/2, 1, 1'], ['0, 0, 0', '0, 1/2, 0', '1/2, 1/2, 1/2', '1/2, 1, 1/2']]\"\n75,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['0, 1/2, z', '1/2, 0, z'], ['1/2, 1/2, z'], ['0, 0, z']]\"\n76,\"[['x, y, z', '-x, -y, z+1/2', '-y, x, z+1/4', 'y, -x, z+3/4']]\"\n77,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2'], ['0, 1/2, z', '1/2, 0, z+1/2'], ['1/2, 1/2, z', '1/2, 1/2, z+1/2'], ['0, 0, z', '0, 0, z+1/2']]\"\n78,\"[['x, y, z', '-x, -y, z+1/2', '-y, x, z+3/4', 'y, -x, z+1/4']]\"\n79,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2'], ['0, 1/2, z', '1/2, 0, z', '1/2, 1, z+1/2', '1, 1/2, z+1/2'], ['0, 0, z', '1/2, 1/2, z+1/2']]\"\n80,\"[['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1, z+1', '-y+1/2, x+1, z+3/4', 'y+1, -x+1/2, z+5/4'], ['0, 0, z', '0, 1/2, z+1/4', '1/2, 1/2, z+1/2', '1/2, 1, z+3/4']]\"\n81,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['0, 1/2, z', '1/2, 0, -z'], ['1/2, 1/2, z', '1/2, 1/2, -z'], ['0, 0, z', '0, 0, -z'], ['1/2, 1/2, 1/2'], ['1/2, 1/2, 0'], ['0, 0, 1/2'], ['0, 0, 0']]\"\n82,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['0, 1/2, z', '1/2, 0, -z', '1/2, 1, z+1/2', '1, 1/2, -z+1/2'], ['0, 0, z', '0, 0, -z', '1/2, 1/2, z+1/2', '1/2, 1/2, -z+1/2'], ['0, 1/2, 3/4', '1/2, 1, 5/4'], ['0, 1/2, 1/4', '1/2, 1, 3/4'], ['0, 0, 1/2', '1/2, 1/2, 1'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n83,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, 1/2', '-x, -y, 1/2', '-y, x, 1/2', 'y, -x, 1/2'], ['x, y, 0', '-x, -y, 0', '-y, x, 0', 'y, -x, 0'], ['0, 1/2, z', '1/2, 0, z', '0, 1/2, -z', '1/2, 0, -z'], ['1/2, 1/2, z', '1/2, 1/2, -z'], ['0, 0, z', '0, 0, -z'], ['0, 1/2, 1/2', '1/2, 0, 1/2'], ['0, 1/2, 0', '1/2, 0, 0'], ['1/2, 1/2, 1/2'], ['1/2, 1/2, 0'], ['0, 0, 1/2'], ['0, 0, 0']]\"\n84,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z+1/2', '-y, x, -z+1/2'], ['x, y, 0', '-x, -y, 0', '-y, x, 1/2', 'y, -x, 1/2'], ['0, 1/2, z', '1/2, 0, z+1/2', '0, 1/2, -z', '1/2, 0, -z+1/2'], ['1/2, 1/2, z', '1/2, 1/2, z+1/2', '1/2, 1/2, -z', '1/2, 1/2, -z+1/2'], ['0, 0, z', '0, 0, z+1/2', '0, 0, -z', '0, 0, -z+1/2'], ['1/2, 1/2, 1/4', '1/2, 1/2, 3/4'], ['0, 0, 1/4', '0, 0, 3/4'], ['0, 1/2, 1/2', '1/2, 0, 0'], ['0, 1/2, 0', '1/2, 0, 1/2'], ['1/2, 1/2, 0', '1/2, 1/2, 1/2'], ['0, 0, 0', '0, 0, 1/2']]\"\n85,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z'], ['1/4, 3/4, z', '3/4, 1/4, z', '3/4, 1/4, -z', '1/4, 3/4, -z'], ['0, 0, 1/2', '1/2, 1/2, 1/2', '1/2, 0, 1/2', '0, 1/2, 1/2'], ['0, 0, 0', '1/2, 1/2, 0', '1/2, 0, 0', '0, 1/2, 0'], ['1/4, 1/4, z', '3/4, 3/4, -z'], ['1/4, 3/4, 1/2', '3/4, 1/4, 1/2'], ['1/4, 3/4, 0', '3/4, 1/4, 0']]\"\n86,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y, x+1/2, z+1/2', 'y+1/2, -x, z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y, -x+1/2, -z+1/2', '-y+1/2, x, -z+1/2'], ['1/4, 1/4, z', '3/4, 3/4, z+1/2', '3/4, 3/4, -z', '1/4, 1/4, -z+1/2'], ['3/4, 1/4, z', '3/4, 1/4, z+1/2', '1/4, 3/4, -z', '1/4, 3/4, -z+1/2'], ['0, 0, 1/2', '1/2, 1/2, 1/2', '0, 1/2, 0', '1/2, 0, 0'], ['0, 0, 0', '1/2, 1/2, 0', '0, 1/2, 1/2', '1/2, 0, 1/2'], ['1/4, 1/4, 3/4', '3/4, 3/4, 1/4'], ['1/4, 1/4, 1/4', '3/4, 3/4, 3/4']]\"\n87,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1/2, -z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, 0', '-x, -y, 0', '-y, x, 0', 'y, -x, 0', 'x+1/2, y+1/2, 1/2', '-x+1/2, -y+1/2, 1/2', '-y+1/2, x+1/2, 1/2', 'y+1/2, -x+1/2, 1/2'], ['0, 1/2, z', '1/2, 0, z', '0, 1/2, -z', '1/2, 0, -z', '1/2, 1, z+1/2', '1, 1/2, z+1/2', '1/2, 1, -z+1/2', '1, 1/2, -z+1/2'], ['1/4, 1/4, 1/4', '3/4, 3/4, 1/4', '3/4, 1/4, 1/4', '1/4, 3/4, 1/4', '3/4, 3/4, 3/4', '5/4, 5/4, 3/4', '5/4, 3/4, 3/4', '3/4, 5/4, 3/4'], ['0, 0, z', '0, 0, -z', '1/2, 1/2, z+1/2', '1/2, 1/2, -z+1/2'], ['0, 1/2, 1/4', '1/2, 0, 1/4', '1/2, 1, 3/4', '1, 1/2, 3/4'], ['0, 1/2, 0', '1/2, 0, 0', '1/2, 1, 1/2', '1, 1/2, 1/2'], ['0, 0, 1/2', '1/2, 1/2, 1'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n88,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-y+3/4, x+1/4, z+1/4', 'y+3/4, -x+3/4, z+3/4', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'y+1/4, -x+3/4, -z+3/4', '-y+1/4, x+1/4, -z+1/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-y+5/4, x+3/4, z+3/4', 'y+5/4, -x+5/4, z+5/4', '-x+1/2, -y+1/2, -z+1/2', 'x+1, y+1/2, -z+1', 'y+3/4, -x+5/4, -z+5/4', '-y+3/4, x+3/4, -z+3/4'], ['0, 1/4, z', '1/2, 1/4, z+1/4', '0, 3/4, -z', '1/2, 3/4, -z+3/4', '1/2, 3/4, z+1/2', '1, 3/4, z+3/4', '1/2, 5/4, -z+1/2', '1, 5/4, -z+5/4'], ['0, 0, 1/2', '1/2, 0, 0', '3/4, 1/4, 3/4', '3/4, 3/4, 1/4', '1/2, 1/2, 1', '1, 1/2, 1/2', '5/4, 3/4, 5/4', '5/4, 5/4, 3/4'], ['0, 0, 0', '1/2, 0, 1/2', '3/4, 1/4, 1/4', '3/4, 3/4, 3/4', '1/2, 1/2, 1/2', '1, 1/2, 1', '5/4, 3/4, 3/4', '5/4, 5/4, 5/4'], ['0, 1/4, 5/8', '1/2, 1/4, 7/8', '1/2, 3/4, 9/8', '1, 3/4, 11/8'], ['0, 1/4, 1/8', '1/2, 1/4, 3/8', '1/2, 3/4, 5/8', '1, 3/4, 7/8']]\"\n89,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, 1/2, 0', '-x, 1/2, 0', '1/2, x, 0', '1/2, -x, 0'], ['x, 0, 1/2', '-x, 0, 1/2', '0, x, 1/2', '0, -x, 1/2'], ['x, 1/2, 1/2', '-x, 1/2, 1/2', '1/2, x, 1/2', '1/2, -x, 1/2'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0'], ['x, x, 1/2', '-x, -x, 1/2', '-x, x, 1/2', 'x, -x, 1/2'], ['x, x, 0', '-x, -x, 0', '-x, x, 0', 'x, -x, 0'], ['0, 1/2, z', '1/2, 0, z', '0, 1/2, -z', '1/2, 0, -z'], ['1/2, 1/2, z', '1/2, 1/2, -z'], ['0, 0, z', '0, 0, -z'], ['1/2, 0, 1/2', '0, 1/2, 1/2'], ['1/2, 0, 0', '0, 1/2, 0'], ['1/2, 1/2, 1/2'], ['1/2, 1/2, 0'], ['0, 0, 1/2'], ['0, 0, 0']]\"\n90,\"[['x, y, z', '-x, -y, z', '-y+1/2, x+1/2, z', 'y+1/2, -x+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'y, x, -z', '-y, -x, -z'], ['x, x, 1/2', '-x, -x, 1/2', '-x+1/2, x+1/2, 1/2', 'x+1/2, -x+1/2, 1/2'], ['x, x, 0', '-x, -x, 0', '-x+1/2, x+1/2, 0', 'x+1/2, -x+1/2, 0'], ['0, 0, z', '1/2, 1/2, z', '1/2, 1/2, -z', '0, 0, -z'], ['0, 1/2, z', '1/2, 0, -z'], ['0, 0, 1/2', '1/2, 1/2, 1/2'], ['0, 0, 0', '1/2, 1/2, 0']]\"\n91,\"[['x, y, z', '-x, -y, z+1/2', '-y, x, z+1/4', 'y, -x, z+3/4', '-x, y, -z', 'x, -y, -z+1/2', 'y, x, -z+3/4', '-y, -x, -z+1/4'], ['x, x, 3/8', '-x, -x, 7/8', '-x, x, 5/8', 'x, -x, 1/8'], ['1/2, y, 0', '1/2, -y, 1/2', '-y, 1/2, 1/4', 'y, 1/2, 3/4'], ['0, y, 0', '0, -y, 1/2', '-y, 0, 1/4', 'y, 0, 3/4']]\"\n92,\"[['x, y, z', '-x, -y, z+1/2', '-y+1/2, x+1/2, z+1/4', 'y+1/2, -x+1/2, z+3/4', '-x+1/2, y+1/2, -z+1/4', 'x+1/2, -y+1/2, -z+3/4', 'y, x, -z', '-y, -x, -z+1/2'], ['x, x, 0', '-x, -x, 1/2', '-x+1/2, x+1/2, 1/4', 'x+1/2, -x+1/2, 3/4']]\"\n93,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, y, -z', 'x, -y, -z', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, x, 3/4', '-x, -x, 3/4', '-x, x, 1/4', 'x, -x, 1/4'], ['x, x, 1/4', '-x, -x, 1/4', '-x, x, 3/4', 'x, -x, 3/4'], ['x, 1/2, 0', '-x, 1/2, 0', '1/2, x, 1/2', '1/2, -x, 1/2'], ['x, 0, 1/2', '-x, 0, 1/2', '0, x, 0', '0, -x, 0'], ['x, 1/2, 1/2', '-x, 1/2, 1/2', '1/2, x, 0', '1/2, -x, 0'], ['x, 0, 0', '-x, 0, 0', '0, x, 1/2', '0, -x, 1/2'], ['0, 1/2, z', '1/2, 0, z+1/2', '0, 1/2, -z', '1/2, 0, -z+1/2'], ['1/2, 1/2, z', '1/2, 1/2, z+1/2', '1/2, 1/2, -z', '1/2, 1/2, -z+1/2'], ['0, 0, z', '0, 0, z+1/2', '0, 0, -z', '0, 0, -z+1/2'], ['1/2, 1/2, 1/4', '1/2, 1/2, 3/4'], ['0, 0, 1/4', '0, 0, 3/4'], ['0, 1/2, 1/2', '1/2, 0, 0'], ['0, 1/2, 0', '1/2, 0, 1/2'], ['1/2, 1/2, 0', '1/2, 1/2, 1/2'], ['0, 0, 0', '0, 0, 1/2']]\"\n94,\"[['x, y, z', '-x, -y, z', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'y, x, -z', '-y, -x, -z'], ['x, x, 1/2', '-x, -x, 1/2', '-x+1/2, x+1/2, 0', 'x+1/2, -x+1/2, 0'], ['x, x, 0', '-x, -x, 0', '-x+1/2, x+1/2, 1/2', 'x+1/2, -x+1/2, 1/2'], ['0, 1/2, z', '0, 1/2, z+1/2', '1/2, 0, -z+1/2', '1/2, 0, -z'], ['0, 0, z', '1/2, 1/2, z+1/2', '1/2, 1/2, -z+1/2', '0, 0, -z'], ['0, 0, 1/2', '1/2, 1/2, 0'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n95,\"[['x, y, z', '-x, -y, z+1/2', '-y, x, z+3/4', 'y, -x, z+1/4', '-x, y, -z', 'x, -y, -z+1/2', 'y, x, -z+1/4', '-y, -x, -z+3/4'], ['x, x, 5/8', '-x, -x, 1/8', '-x, x, 3/8', 'x, -x, 7/8'], ['1/2, y, 0', '1/2, -y, 1/2', '-y, 1/2, 3/4', 'y, 1/2, 1/4'], ['0, y, 0', '0, -y, 1/2', '-y, 0, 3/4', 'y, 0, 1/4']]\"\n96,\"[['x, y, z', '-x, -y, z+1/2', '-y+1/2, x+1/2, z+3/4', 'y+1/2, -x+1/2, z+1/4', '-x+1/2, y+1/2, -z+3/4', 'x+1/2, -y+1/2, -z+1/4', 'y, x, -z', '-y, -x, -z+1/2'], ['x, x, 0', '-x, -x, 1/2', '-x+1/2, x+1/2, 3/4', 'x+1/2, -x+1/2, 1/4']]\"\n97,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, x+1/2, 1/4', '-x, -x+1/2, 1/4', '-x+1/2, x, 1/4', 'x+1/2, -x, 1/4', 'x+1/2, x+1, 3/4', '-x+1/2, -x+1, 3/4', '-x+1, x+1/2, 3/4', 'x+1, -x+1/2, 3/4'], ['x, 0, 1/2', '-x, 0, 1/2', '0, x, 1/2', '0, -x, 1/2', 'x+1/2, 1/2, 1', '-x+1/2, 1/2, 1', '1/2, x+1/2, 1', '1/2, -x+1/2, 1'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', 'x+1/2, 1/2, 1/2', '-x+1/2, 1/2, 1/2', '1/2, x+1/2, 1/2', '1/2, -x+1/2, 1/2'], ['x, x, 0', '-x, -x, 0', '-x, x, 0', 'x, -x, 0', 'x+1/2, x+1/2, 1/2', '-x+1/2, -x+1/2, 1/2', '-x+1/2, x+1/2, 1/2', 'x+1/2, -x+1/2, 1/2'], ['0, 1/2, z', '1/2, 0, z', '0, 1/2, -z', '1/2, 0, -z', '1/2, 1, z+1/2', '1, 1/2, z+1/2', '1/2, 1, -z+1/2', '1, 1/2, -z+1/2'], ['0, 0, z', '0, 0, -z', '1/2, 1/2, z+1/2', '1/2, 1/2, -z+1/2'], ['0, 1/2, 1/4', '1/2, 0, 1/4', '1/2, 1, 3/4', '1, 1/2, 3/4'], ['0, 1/2, 0', '1/2, 0, 0', '1/2, 1, 1/2', '1, 1/2, 1/2'], ['0, 0, 1/2', '1/2, 1/2, 1'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n98,\"[['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4', '-x+1/2, y, -z+3/4', 'x, -y+1/2, -z+1/4', 'y+1/2, x+1/2, -z+1/2', '-y, -x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1, z+1', '-y+1/2, x+1, z+3/4', 'y+1, -x+1/2, z+5/4', '-x+1, y+1/2, -z+5/4', 'x+1/2, -y+1, -z+3/4', 'y+1, x+1, -z+1', '-y+1/2, -x+1/2, -z+1/2'], ['x, 1/4, 1/8', '-x+1/2, 1/4, 5/8', '3/4, x+1/2, 3/8', '3/4, -x, 7/8', 'x+1/2, 3/4, 5/8', '-x+1, 3/4, 9/8', '5/4, x+1, 7/8', '5/4, -x+1/2, 11/8'], ['x, -x, 0', '-x+1/2, x+1/2, 1/2', 'x, x+1/2, 1/4', '-x+1/2, -x, 3/4', 'x+1/2, -x+1/2, 1/2', '-x+1, x+1, 1', 'x+1/2, x+1, 3/4', '-x+1, -x+1/2, 5/4'], ['x, x, 0', '-x+1/2, -x+1/2, 1/2', '-x, x+1/2, 1/4', 'x+1/2, -x, 3/4', 'x+1/2, x+1/2, 1/2', '-x+1, -x+1, 1', '-x+1/2, x+1, 3/4', 'x+1, -x+1/2, 5/4'], ['0, 0, z', '0, 1/2, z+1/4', '1/2, 0, -z+3/4', '1/2, 1/2, -z+1/2', '1/2, 1/2, z+1/2', '1/2, 1, z+3/4', '1, 1/2, -z+5/4', '1, 1, -z+1'], ['0, 0, 1/2', '0, 1/2, 3/4', '1/2, 1/2, 1', '1/2, 1, 5/4'], ['0, 0, 0', '0, 1/2, 1/4', '1/2, 1/2, 1/2', '1/2, 1, 3/4']]\"\n99,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, 1/2, z', '-x, 1/2, z', '1/2, x, z', '1/2, -x, z'], ['x, 0, z', '-x, 0, z', '0, x, z', '0, -x, z'], ['x, x, z', '-x, -x, z', '-x, x, z', 'x, -x, z'], ['1/2, 0, z', '0, 1/2, z'], ['1/2, 1/2, z'], ['0, 0, z']]\"\n100,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', '-y+1/2, -x+1/2, z', 'y+1/2, x+1/2, z'], ['x, x+1/2, z', '-x, -x+1/2, z', '-x+1/2, x, z', 'x+1/2, -x, z'], ['1/2, 0, z', '0, 1/2, z'], ['0, 0, z', '1/2, 1/2, z']]\"\n101,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', 'x, -y, z+1/2', '-x, y, z+1/2', '-y, -x, z', 'y, x, z'], ['x, x, z', '-x, -x, z', '-x, x, z+1/2', 'x, -x, z+1/2'], ['0, 1/2, z', '1/2, 0, z+1/2', '0, 1/2, z+1/2', '1/2, 0, z'], ['1/2, 1/2, z', '1/2, 1/2, z+1/2'], ['0, 0, z', '0, 0, z+1/2']]\"\n102,\"[['x, y, z', '-x, -y, z', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', '-y, -x, z', 'y, x, z'], ['x, x, z', '-x, -x, z', '-x+1/2, x+1/2, z+1/2', 'x+1/2, -x+1/2, z+1/2'], ['0, 1/2, z', '0, 1/2, z+1/2', '1/2, 0, z+1/2', '1/2, 0, z'], ['0, 0, z', '1/2, 1/2, z+1/2']]\"\n103,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z+1/2', '-x, y, z+1/2', '-y, -x, z+1/2', 'y, x, z+1/2'], ['0, 1/2, z', '1/2, 0, z', '0, 1/2, z+1/2', '1/2, 0, z+1/2'], ['1/2, 1/2, z', '1/2, 1/2, z+1/2'], ['0, 0, z', '0, 0, z+1/2']]\"\n104,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['0, 1/2, z', '1/2, 0, z', '1/2, 0, z+1/2', '0, 1/2, z+1/2'], ['0, 0, z', '1/2, 1/2, z+1/2']]\"\n105,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', 'x, -y, z', '-x, y, z', '-y, -x, z+1/2', 'y, x, z+1/2'], ['x, 1/2, z', '-x, 1/2, z', '1/2, x, z+1/2', '1/2, -x, z+1/2'], ['x, 0, z', '-x, 0, z', '0, x, z+1/2', '0, -x, z+1/2'], ['0, 1/2, z', '1/2, 0, z+1/2'], ['1/2, 1/2, z', '1/2, 1/2, z+1/2'], ['0, 0, z', '0, 0, z+1/2']]\"\n106,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['0, 1/2, z', '1/2, 0, z+1/2', '1/2, 0, z', '0, 1/2, z+1/2'], ['0, 0, z', '0, 0, z+1/2', '1/2, 1/2, z', '1/2, 1/2, z+1/2']]\"\n107,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['x, 0, z', '-x, 0, z', '0, x, z', '0, -x, z', 'x+1/2, 1/2, z+1/2', '-x+1/2, 1/2, z+1/2', '1/2, x+1/2, z+1/2', '1/2, -x+1/2, z+1/2'], ['x, x, z', '-x, -x, z', '-x, x, z', 'x, -x, z', 'x+1/2, x+1/2, z+1/2', '-x+1/2, -x+1/2, z+1/2', '-x+1/2, x+1/2, z+1/2', 'x+1/2, -x+1/2, z+1/2'], ['0, 1/2, z', '1/2, 0, z', '1/2, 1, z+1/2', '1, 1/2, z+1/2'], ['0, 0, z', '1/2, 1/2, z+1/2']]\"\n108,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z+1/2', '-x, y, z+1/2', '-y, -x, z+1/2', 'y, x, z+1/2', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', 'x+1/2, -y+1/2, z+1', '-x+1/2, y+1/2, z+1', '-y+1/2, -x+1/2, z+1', 'y+1/2, x+1/2, z+1'], ['x, x+1/2, z', '-x, -x+1/2, z', '-x+1/2, x, z', 'x+1/2, -x, z', 'x+1/2, x+1, z+1/2', '-x+1/2, -x+1, z+1/2', '-x+1, x+1/2, z+1/2', 'x+1, -x+1/2, z+1/2'], ['1/2, 0, z', '0, 1/2, z', '1, 1/2, z+1/2', '1/2, 1, z+1/2'], ['0, 0, z', '0, 0, z+1/2', '1/2, 1/2, z+1/2', '1/2, 1/2, z+1']]\"\n109,\"[['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4', 'x, -y, z', '-x+1/2, y+1/2, z+1/2', '-y, -x+1/2, z+1/4', 'y+1/2, x, z+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1, z+1', '-y+1/2, x+1, z+3/4', 'y+1, -x+1/2, z+5/4', 'x+1/2, -y+1/2, z+1/2', '-x+1, y+1, z+1', '-y+1/2, -x+1, z+3/4', 'y+1, x+1/2, z+5/4'], ['0, y, z', '1/2, -y+1/2, z+1/2', '-y, 1/2, z+1/4', 'y+1/2, 0, z+3/4', '1/2, y+1/2, z+1/2', '1, -y+1, z+1', '-y+1/2, 1, z+3/4', 'y+1, 1/2, z+5/4'], ['0, 0, z', '0, 1/2, z+1/4', '1/2, 1/2, z+1/2', '1/2, 1, z+3/4']]\"\n110,\"[['x, y, z', '-x+1/2, -y+1/2, z+1/2', '-y, x+1/2, z+1/4', 'y+1/2, -x, z+3/4', 'x, -y, z+1/2', '-x+1/2, y+1/2, z', '-y, -x+1/2, z+3/4', 'y+1/2, x, z+1/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1, z+1', '-y+1/2, x+1, z+3/4', 'y+1, -x+1/2, z+5/4', 'x+1/2, -y+1/2, z+1', '-x+1, y+1, z+1/2', '-y+1/2, -x+1, z+5/4', 'y+1, x+1/2, z+3/4'], ['0, 0, z', '0, 1/2, z+1/4', '0, 0, z+1/2', '0, 1/2, z+3/4', '1/2, 1/2, z+1/2', '1/2, 1, z+3/4', '1/2, 1/2, z+1', '1/2, 1, z+5/4']]\"\n111,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x, y, -z', 'x, -y, -z', '-y, -x, z', 'y, x, z'], ['x, x, z', '-x, -x, z', 'x, -x, -z', '-x, x, -z'], ['0, 1/2, z', '1/2, 0, -z', '0, 1/2, -z', '1/2, 0, z'], ['x, 1/2, 0', '-x, 1/2, 0', '1/2, -x, 0', '1/2, x, 0'], ['x, 0, 1/2', '-x, 0, 1/2', '0, -x, 1/2', '0, x, 1/2'], ['x, 1/2, 1/2', '-x, 1/2, 1/2', '1/2, -x, 1/2', '1/2, x, 1/2'], ['x, 0, 0', '-x, 0, 0', '0, -x, 0', '0, x, 0'], ['1/2, 1/2, z', '1/2, 1/2, -z'], ['0, 0, z', '0, 0, -z'], ['1/2, 0, 1/2', '0, 1/2, 1/2'], ['1/2, 0, 0', '0, 1/2, 0'], ['1/2, 1/2, 0'], ['0, 0, 1/2'], ['1/2, 1/2, 1/2'], ['0, 0, 0']]\"\n112,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x, y, -z+1/2', 'x, -y, -z+1/2', '-y, -x, z+1/2', 'y, x, z+1/2'], ['0, 1/2, z', '1/2, 0, -z', '0, 1/2, -z+1/2', '1/2, 0, z+1/2'], ['1/2, 1/2, z', '1/2, 1/2, -z', '1/2, 1/2, -z+1/2', '1/2, 1/2, z+1/2'], ['0, 0, z', '0, 0, -z', '0, 0, -z+1/2', '0, 0, z+1/2'], ['0, y, 1/4', '0, -y, 1/4', 'y, 0, 3/4', '-y, 0, 3/4'], ['x, 1/2, 1/4', '-x, 1/2, 1/4', '1/2, -x, 3/4', '1/2, x, 3/4'], ['1/2, y, 1/4', '1/2, -y, 1/4', 'y, 1/2, 3/4', '-y, 1/2, 3/4'], ['x, 0, 1/4', '-x, 0, 1/4', '0, -x, 3/4', '0, x, 3/4'], ['1/2, 1/2, 0', '1/2, 1/2, 1/2'], ['0, 0, 0', '0, 0, 1/2'], ['0, 1/2, 1/4', '1/2, 0, 3/4'], ['1/2, 1/2, 1/4', '1/2, 1/2, 3/4'], ['1/2, 0, 1/4', '0, 1/2, 3/4'], ['0, 0, 1/4', '0, 0, 3/4']]\"\n113,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', '-y+1/2, -x+1/2, z', 'y+1/2, x+1/2, z'], ['x, x+1/2, z', '-x, -x+1/2, z', 'x+1/2, -x, -z', '-x+1/2, x, -z'], ['0, 0, z', '0, 0, -z', '1/2, 1/2, -z', '1/2, 1/2, z'], ['0, 1/2, z', '1/2, 0, -z'], ['0, 0, 1/2', '1/2, 1/2, 1/2'], ['0, 0, 0', '1/2, 1/2, 0']]\"\n114,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['0, 1/2, z', '1/2, 0, -z', '1/2, 0, -z+1/2', '0, 1/2, z+1/2'], ['0, 0, z', '0, 0, -z', '1/2, 1/2, -z+1/2', '1/2, 1/2, z+1/2'], ['0, 0, 1/2', '1/2, 1/2, 0'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n115,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', 'y, x, -z', '-y, -x, -z'], ['x, 1/2, z', '-x, 1/2, z', '1/2, -x, -z', '1/2, x, -z'], ['x, 0, z', '-x, 0, z', '0, -x, -z', '0, x, -z'], ['x, x, 1/2', '-x, -x, 1/2', 'x, -x, 1/2', '-x, x, 1/2'], ['x, x, 0', '-x, -x, 0', 'x, -x, 0', '-x, x, 0'], ['0, 1/2, z', '1/2, 0, -z'], ['1/2, 1/2, z', '1/2, 1/2, -z'], ['0, 0, z', '0, 0, -z'], ['0, 0, 1/2'], ['1/2, 1/2, 1/2'], ['1/2, 1/2, 0'], ['0, 0, 0']]\"\n116,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x, -y, z+1/2', '-x, y, z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['0, 1/2, z', '1/2, 0, -z', '0, 1/2, z+1/2', '1/2, 0, -z+1/2'], ['1/2, 1/2, z', '1/2, 1/2, -z', '1/2, 1/2, z+1/2', '1/2, 1/2, -z+1/2'], ['0, 0, z', '0, 0, -z', '0, 0, z+1/2', '0, 0, -z+1/2'], ['x, x, 3/4', '-x, -x, 3/4', 'x, -x, 1/4', '-x, x, 1/4'], ['x, x, 1/4', '-x, -x, 1/4', 'x, -x, 3/4', '-x, x, 3/4'], ['1/2, 1/2, 0', '1/2, 1/2, 1/2'], ['0, 0, 0', '0, 0, 1/2'], ['1/2, 1/2, 1/4', '1/2, 1/2, 3/4'], ['0, 0, 1/4', '0, 0, 3/4']]\"\n117,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', 'y+1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z'], ['x, x+1/2, 1/2', '-x, -x+1/2, 1/2', 'x+1/2, -x, 1/2', '-x+1/2, x, 1/2'], ['x, x+1/2, 0', '-x, -x+1/2, 0', 'x+1/2, -x, 0', '-x+1/2, x, 0'], ['0, 1/2, z', '1/2, 0, -z', '1/2, 0, z', '0, 1/2, -z'], ['0, 0, z', '0, 0, -z', '1/2, 1/2, z', '1/2, 1/2, -z'], ['0, 1/2, 1/2', '1/2, 0, 1/2'], ['0, 1/2, 0', '1/2, 0, 0'], ['0, 0, 1/2', '1/2, 1/2, 1/2'], ['0, 0, 0', '1/2, 1/2, 0']]\"\n118,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['0, 1/2, z', '1/2, 0, -z', '1/2, 0, z+1/2', '0, 1/2, -z+1/2'], ['x, x+1/2, 1/4', '-x, -x+1/2, 1/4', 'x+1/2, -x, 3/4', '-x+1/2, x, 3/4'], ['x, -x+1/2, 1/4', '-x, x+1/2, 1/4', '-x+1/2, -x, 3/4', 'x+1/2, x, 3/4'], ['0, 0, z', '0, 0, -z', '1/2, 1/2, z+1/2', '1/2, 1/2, -z+1/2'], ['0, 1/2, 3/4', '1/2, 0, 1/4'], ['0, 1/2, 1/4', '1/2, 0, 3/4'], ['0, 0, 1/2', '1/2, 1/2, 0'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n119,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', 'y, x, -z', '-y, -x, -z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, 0, z', '-x, 0, z', '0, -x, -z', '0, x, -z', 'x+1/2, 1/2, z+1/2', '-x+1/2, 1/2, z+1/2', '1/2, -x+1/2, -z+1/2', '1/2, x+1/2, -z+1/2'], ['x, x+1/2, 1/4', '-x, -x+1/2, 1/4', 'x+1/2, -x, 3/4', '-x+1/2, x, 3/4', 'x+1/2, x+1, 3/4', '-x+1/2, -x+1, 3/4', 'x+1, -x+1/2, 5/4', '-x+1, x+1/2, 5/4'], ['x, x, 0', '-x, -x, 0', 'x, -x, 0', '-x, x, 0', 'x+1/2, x+1/2, 1/2', '-x+1/2, -x+1/2, 1/2', 'x+1/2, -x+1/2, 1/2', '-x+1/2, x+1/2, 1/2'], ['0, 1/2, z', '1/2, 0, -z', '1/2, 1, z+1/2', '1, 1/2, -z+1/2'], ['0, 0, z', '0, 0, -z', '1/2, 1/2, z+1/2', '1/2, 1/2, -z+1/2'], ['0, 1/2, 3/4', '1/2, 1, 5/4'], ['0, 1/2, 1/4', '1/2, 1, 3/4'], ['0, 0, 1/2', '1/2, 1/2, 1'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n120,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x, -y, z+1/2', '-x, y, z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1', '-x+1/2, y+1/2, z+1', 'y+1/2, x+1/2, -z+1', '-y+1/2, -x+1/2, -z+1'], ['x, x+1/2, 0', '-x, -x+1/2, 0', 'x+1/2, -x, 0', '-x+1/2, x, 0', 'x+1/2, x+1, 1/2', '-x+1/2, -x+1, 1/2', 'x+1, -x+1/2, 1/2', '-x+1, x+1/2, 1/2'], ['0, 1/2, z', '1/2, 0, -z', '0, 1/2, z+1/2', '1/2, 0, -z+1/2', '1/2, 1, z+1/2', '1, 1/2, -z+1/2', '1/2, 1, z+1', '1, 1/2, -z+1'], ['0, 0, z', '0, 0, -z', '0, 0, z+1/2', '0, 0, -z+1/2', '1/2, 1/2, z+1/2', '1/2, 1/2, -z+1/2', '1/2, 1/2, z+1', '1/2, 1/2, -z+1'], ['x, x, 1/4', '-x, -x, 1/4', 'x, -x, 3/4', '-x, x, 3/4', 'x+1/2, x+1/2, 3/4', '-x+1/2, -x+1/2, 3/4', 'x+1/2, -x+1/2, 5/4', '-x+1/2, x+1/2, 5/4'], ['0, 1/2, 0', '1/2, 0, 0', '1/2, 1, 1/2', '1, 1/2, 1/2'], ['0, 1/2, 1/4', '0, 1/2, 3/4', '1/2, 1, 3/4', '1/2, 1, 5/4'], ['0, 0, 0', '0, 0, 1/2', '1/2, 1/2, 1/2', '1/2, 1/2, 1'], ['0, 0, 1/4', '0, 0, 3/4', '1/2, 1/2, 3/4', '1/2, 1/2, 5/4']]\"\n121,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x, y, -z', 'x, -y, -z', '-y, -x, z', 'y, x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['x, x, z', '-x, -x, z', 'x, -x, -z', '-x, x, -z', 'x+1/2, x+1/2, z+1/2', '-x+1/2, -x+1/2, z+1/2', 'x+1/2, -x+1/2, -z+1/2', '-x+1/2, x+1/2, -z+1/2'], ['0, 1/2, z', '1/2, 0, -z', '0, 1/2, -z', '1/2, 0, z', '1/2, 1, z+1/2', '1, 1/2, -z+1/2', '1/2, 1, -z+1/2', '1, 1/2, z+1/2'], ['x, 0, 1/2', '-x, 0, 1/2', '0, -x, 1/2', '0, x, 1/2', 'x+1/2, 1/2, 1', '-x+1/2, 1/2, 1', '1/2, -x+1/2, 1', '1/2, x+1/2, 1'], ['x, 0, 0', '-x, 0, 0', '0, -x, 0', '0, x, 0', 'x+1/2, 1/2, 1/2', '-x+1/2, 1/2, 1/2', '1/2, -x+1/2, 1/2', '1/2, x+1/2, 1/2'], ['0, 0, z', '0, 0, -z', '1/2, 1/2, z+1/2', '1/2, 1/2, -z+1/2'], ['0, 1/2, 1/4', '0, 1/2, 3/4', '1/2, 1, 3/4', '1/2, 1, 5/4'], ['0, 1/2, 0', '1/2, 0, 0', '1/2, 1, 1/2', '1, 1/2, 1/2'], ['0, 0, 1/2', '1/2, 1/2, 1'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n122,\"[['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x+1/2, y, -z+3/4', 'x+1/2, -y, -z+3/4', '-y+1/2, -x, z+3/4', 'y+1/2, x, z+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', '-x+1, y+1/2, -z+5/4', 'x+1, -y+1/2, -z+5/4', '-y+1, -x+1/2, z+5/4', 'y+1, x+1/2, z+5/4'], ['x, 1/4, 1/8', '-x, 3/4, 1/8', '1/4, -x, 7/8', '3/4, x, 7/8', 'x+1/2, 3/4, 5/8', '-x+1/2, 5/4, 5/8', '3/4, -x+1/2, 11/8', '5/4, x+1/2, 11/8'], ['0, 0, z', '0, 0, -z', '1/2, 0, -z+3/4', '1/2, 0, z+3/4', '1/2, 1/2, z+1/2', '1/2, 1/2, -z+1/2', '1, 1/2, -z+5/4', '1, 1/2, z+5/4'], ['0, 0, 1/2', '1/2, 0, 1/4', '1/2, 1/2, 1', '1, 1/2, 3/4'], ['0, 0, 0', '1/2, 0, 3/4', '1/2, 1/2, 1/2', '1, 1/2, 5/4']]\"\n123,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, 1/2, z', '-x, 1/2, z', '1/2, x, z', '1/2, -x, z', '-x, 1/2, -z', 'x, 1/2, -z', '1/2, x, -z', '1/2, -x, -z'], ['x, 0, z', '-x, 0, z', '0, x, z', '0, -x, z', '-x, 0, -z', 'x, 0, -z', '0, x, -z', '0, -x, -z'], ['x, x, z', '-x, -x, z', '-x, x, z', 'x, -x, z', '-x, x, -z', 'x, -x, -z', 'x, x, -z', '-x, -x, -z'], ['x, y, 1/2', '-x, -y, 1/2', '-y, x, 1/2', 'y, -x, 1/2', '-x, y, 1/2', 'x, -y, 1/2', 'y, x, 1/2', '-y, -x, 1/2'], ['x, y, 0', '-x, -y, 0', '-y, x, 0', 'y, -x, 0', '-x, y, 0', 'x, -y, 0', 'y, x, 0', '-y, -x, 0'], ['x, 1/2, 1/2', '-x, 1/2, 1/2', '1/2, x, 1/2', '1/2, -x, 1/2'], ['x, 1/2, 0', '-x, 1/2, 0', '1/2, x, 0', '1/2, -x, 0'], ['x, 0, 1/2', '-x, 0, 1/2', '0, x, 1/2', '0, -x, 1/2'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0'], ['x, x, 1/2', '-x, -x, 1/2', '-x, x, 1/2', 'x, -x, 1/2'], ['x, x, 0', '-x, -x, 0', '-x, x, 0', 'x, -x, 0'], ['0, 1/2, z', '1/2, 0, z', '0, 1/2, -z', '1/2, 0, -z'], ['1/2, 1/2, z', '1/2, 1/2, -z'], ['0, 0, z', '0, 0, -z'], ['0, 1/2, 0', '1/2, 0, 0'], ['0, 1/2, 1/2', '1/2, 0, 1/2'], ['1/2, 1/2, 1/2'], ['1/2, 1/2, 0'], ['0, 0, 1/2'], ['0, 0, 0']]\"\n124,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x, -y, z+1/2', '-x, y, z+1/2', '-y, -x, z+1/2', 'y, x, z+1/2'], ['x, y, 0', '-x, -y, 0', '-y, x, 0', 'y, -x, 0', '-x, y, 1/2', 'x, -y, 1/2', 'y, x, 1/2', '-y, -x, 1/2'], ['x, 1/2, 1/4', '-x, 1/2, 1/4', '1/2, x, 1/4', '1/2, -x, 1/4', '-x, 1/2, 3/4', 'x, 1/2, 3/4', '1/2, -x, 3/4', '1/2, x, 3/4'], ['x, 0, 1/4', '-x, 0, 1/4', '0, x, 1/4', '0, -x, 1/4', '-x, 0, 3/4', 'x, 0, 3/4', '0, -x, 3/4', '0, x, 3/4'], ['x, x, 1/4', '-x, -x, 1/4', '-x, x, 1/4', 'x, -x, 1/4', '-x, -x, 3/4', 'x, x, 3/4', 'x, -x, 3/4', '-x, x, 3/4'], ['0, 1/2, z', '1/2, 0, z', '0, 1/2, -z+1/2', '1/2, 0, -z+1/2', '0, 1/2, -z', '1/2, 0, -z', '0, 1/2, z+1/2', '1/2, 0, z+1/2'], ['1/2, 1/2, z', '1/2, 1/2, -z+1/2', '1/2, 1/2, -z', '1/2, 1/2, z+1/2'], ['0, 0, z', '0, 0, -z+1/2', '0, 0, -z', '0, 0, z+1/2'], ['0, 1/2, 1/4', '1/2, 0, 1/4', '0, 1/2, 3/4', '1/2, 0, 3/4'], ['0, 1/2, 0', '1/2, 0, 0', '0, 1/2, 1/2', '1/2, 0, 1/2'], ['1/2, 1/2, 0', '1/2, 1/2, 1/2'], ['1/2, 1/2, 1/4', '1/2, 1/2, 3/4'], ['0, 0, 0', '0, 0, 1/2'], ['0, 0, 1/4', '0, 0, 3/4']]\"\n125,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x+1/2, y, -z', 'x, -y+1/2, -z', 'y, x, -z', '-y+1/2, -x+1/2, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z', 'x+1/2, -y, z', '-x, y+1/2, z', '-y, -x, z', 'y+1/2, x+1/2, z'], ['x, -x, z', '-x+1/2, x+1/2, z', 'x+1/2, x, z', '-x, -x+1/2, z', '-x+1/2, -x, -z', 'x, x+1/2, -z', '-x, x, -z', 'x+1/2, -x+1/2, -z'], ['x, 1/4, 1/2', '-x+1/2, 1/4, 1/2', '1/4, x, 1/2', '1/4, -x+1/2, 1/2', '-x, 3/4, 1/2', 'x+1/2, 3/4, 1/2', '3/4, -x, 1/2', '3/4, x+1/2, 1/2'], ['x, 1/4, 0', '-x+1/2, 1/4, 0', '1/4, x, 0', '1/4, -x+1/2, 0', '-x, 3/4, 0', 'x+1/2, 3/4, 0', '3/4, -x, 0', '3/4, x+1/2, 0'], ['x, x, 1/2', '-x+1/2, -x+1/2, 1/2', '-x+1/2, x, 1/2', 'x, -x+1/2, 1/2', '-x, -x, 1/2', 'x+1/2, x+1/2, 1/2', 'x+1/2, -x, 1/2', '-x, x+1/2, 1/2'], ['x, x, 0', '-x+1/2, -x+1/2, 0', '-x+1/2, x, 0', 'x, -x+1/2, 0', '-x, -x, 0', 'x+1/2, x+1/2, 0', 'x+1/2, -x, 0', '-x, x+1/2, 0'], ['3/4, 1/4, z', '1/4, 3/4, z', '3/4, 1/4, -z', '1/4, 3/4, -z'], ['1/4, 1/4, z', '1/4, 1/4, -z', '3/4, 3/4, -z', '3/4, 3/4, z'], ['0, 0, 1/2', '1/2, 1/2, 1/2', '1/2, 0, 1/2', '0, 1/2, 1/2'], ['0, 0, 0', '1/2, 1/2, 0', '1/2, 0, 0', '0, 1/2, 0'], ['3/4, 1/4, 1/2', '1/4, 3/4, 1/2'], ['3/4, 1/4, 0', '1/4, 3/4, 0'], ['1/4, 1/4, 1/2', '3/4, 3/4, 1/2'], ['1/4, 1/4, 0', '3/4, 3/4, 0']]\"\n126,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'y, x, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z', 'x+1/2, -y, z+1/2', '-x, y+1/2, z+1/2', '-y, -x, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['x, 3/4, 1/4', '-x+1/2, 3/4, 1/4', '3/4, x, 1/4', '3/4, -x+1/2, 1/4', '-x, 1/4, 3/4', 'x+1/2, 1/4, 3/4', '1/4, -x, 3/4', '1/4, x+1/2, 3/4'], ['x, 1/4, 1/4', '-x+1/2, 1/4, 1/4', '1/4, x, 1/4', '1/4, -x+1/2, 1/4', '-x, 3/4, 3/4', 'x+1/2, 3/4, 3/4', '3/4, -x, 3/4', '3/4, x+1/2, 3/4'], ['x, x, 1/4', '-x+1/2, -x+1/2, 1/4', '-x+1/2, x, 1/4', 'x, -x+1/2, 1/4', '-x, -x, 3/4', 'x+1/2, x+1/2, 3/4', 'x+1/2, -x, 3/4', '-x, x+1/2, 3/4'], ['1/4, 3/4, z', '3/4, 1/4, z', '1/4, 3/4, -z+1/2', '3/4, 1/4, -z+1/2', '3/4, 1/4, -z', '1/4, 3/4, -z', '3/4, 1/4, z+1/2', '1/4, 3/4, z+1/2'], ['0, 0, 0', '1/2, 1/2, 0', '1/2, 0, 0', '0, 1/2, 0', '1/2, 0, 1/2', '0, 1/2, 1/2', '0, 0, 1/2', '1/2, 1/2, 1/2'], ['1/4, 1/4, z', '1/4, 1/4, -z+1/2', '3/4, 3/4, -z', '3/4, 3/4, z+1/2'], ['1/4, 3/4, 0', '3/4, 1/4, 0', '1/4, 3/4, 1/2', '3/4, 1/4, 1/2'], ['1/4, 3/4, 3/4', '3/4, 1/4, 3/4', '3/4, 1/4, 1/4', '1/4, 3/4, 1/4'], ['1/4, 1/4, 3/4', '3/4, 3/4, 1/4'], ['1/4, 1/4, 1/4', '3/4, 3/4, 3/4']]\"\n127,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'y+1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', '-y+1/2, -x+1/2, z', 'y+1/2, x+1/2, z'], ['x, x+1/2, z', '-x, -x+1/2, z', '-x+1/2, x, z', 'x+1/2, -x, z', '-x+1/2, x, -z', 'x+1/2, -x, -z', 'x, x+1/2, -z', '-x, -x+1/2, -z'], ['x, y, 1/2', '-x, -y, 1/2', '-y, x, 1/2', 'y, -x, 1/2', '-x+1/2, y+1/2, 1/2', 'x+1/2, -y+1/2, 1/2', 'y+1/2, x+1/2, 1/2', '-y+1/2, -x+1/2, 1/2'], ['x, y, 0', '-x, -y, 0', '-y, x, 0', 'y, -x, 0', '-x+1/2, y+1/2, 0', 'x+1/2, -y+1/2, 0', 'y+1/2, x+1/2, 0', '-y+1/2, -x+1/2, 0'], ['x, x+1/2, 1/2', '-x, -x+1/2, 1/2', '-x+1/2, x, 1/2', 'x+1/2, -x, 1/2'], ['x, x+1/2, 0', '-x, -x+1/2, 0', '-x+1/2, x, 0', 'x+1/2, -x, 0'], ['0, 1/2, z', '1/2, 0, z', '1/2, 0, -z', '0, 1/2, -z'], ['0, 0, z', '1/2, 1/2, -z', '0, 0, -z', '1/2, 1/2, z'], ['0, 1/2, 0', '1/2, 0, 0'], ['0, 1/2, 1/2', '1/2, 0, 1/2'], ['0, 0, 1/2', '1/2, 1/2, 1/2'], ['0, 0, 0', '1/2, 1/2, 0']]\"\n128,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['x, y, 0', '-x, -y, 0', '-y, x, 0', 'y, -x, 0', '-x+1/2, y+1/2, 1/2', 'x+1/2, -y+1/2, 1/2', 'y+1/2, x+1/2, 1/2', '-y+1/2, -x+1/2, 1/2'], ['x, x+1/2, 1/4', '-x, -x+1/2, 1/4', '-x+1/2, x, 1/4', 'x+1/2, -x, 1/4', '-x, -x+1/2, 3/4', 'x, x+1/2, 3/4', 'x+1/2, -x, 3/4', '-x+1/2, x, 3/4'], ['0, 1/2, z', '1/2, 0, z', '1/2, 0, -z+1/2', '0, 1/2, -z+1/2', '0, 1/2, -z', '1/2, 0, -z', '1/2, 0, z+1/2', '0, 1/2, z+1/2'], ['0, 0, z', '1/2, 1/2, -z+1/2', '0, 0, -z', '1/2, 1/2, z+1/2'], ['0, 1/2, 1/4', '1/2, 0, 1/4', '0, 1/2, 3/4', '1/2, 0, 3/4'], ['0, 1/2, 0', '1/2, 0, 0', '1/2, 0, 1/2', '0, 1/2, 1/2'], ['0, 0, 1/2', '1/2, 1/2, 0'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n129,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, y+1/2, -z', 'x+1/2, -y, -z', 'y+1/2, x+1/2, -z', '-y, -x, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z', 'x, -y+1/2, z', '-x+1/2, y, z', '-y+1/2, -x+1/2, z', 'y, x, z'], ['x, x, z', '-x+1/2, -x+1/2, z', '-x+1/2, x, z', 'x, -x+1/2, z', '-x, x+1/2, -z', 'x+1/2, -x, -z', 'x+1/2, x+1/2, -z', '-x, -x, -z'], ['1/4, y, z', '1/4, -y+1/2, z', '-y+1/2, 1/4, z', 'y, 1/4, z', '3/4, y+1/2, -z', '3/4, -y, -z', 'y+1/2, 3/4, -z', '-y, 3/4, -z'], ['x, -x, 1/2', '-x+1/2, x+1/2, 1/2', 'x+1/2, x, 1/2', '-x, -x+1/2, 1/2', '-x, x, 1/2', 'x+1/2, -x+1/2, 1/2', '-x+1/2, -x, 1/2', 'x, x+1/2, 1/2'], ['x, -x, 0', '-x+1/2, x+1/2, 0', 'x+1/2, x, 0', '-x, -x+1/2, 0', '-x, x, 0', 'x+1/2, -x+1/2, 0', '-x+1/2, -x, 0', 'x, x+1/2, 0'], ['3/4, 1/4, z', '1/4, 3/4, z', '1/4, 3/4, -z', '3/4, 1/4, -z'], ['0, 0, 1/2', '1/2, 1/2, 1/2', '1/2, 0, 1/2', '0, 1/2, 1/2'], ['0, 0, 0', '1/2, 1/2, 0', '1/2, 0, 0', '0, 1/2, 0'], ['1/4, 1/4, z', '3/4, 3/4, -z'], ['3/4, 1/4, 1/2', '1/4, 3/4, 1/2'], ['3/4, 1/4, 0', '1/4, 3/4, 0']]\"\n130,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x, y+1/2, -z+1/2', 'x+1/2, -y, -z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y, -x, -z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z', '-y, x+1/2, -z', 'x, -y+1/2, z+1/2', '-x+1/2, y, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y, x, z+1/2'], ['x, -x, 1/4', '-x+1/2, x+1/2, 1/4', 'x+1/2, x, 1/4', '-x, -x+1/2, 1/4', '-x, x, 3/4', 'x+1/2, -x+1/2, 3/4', '-x+1/2, -x, 3/4', 'x, x+1/2, 3/4'], ['3/4, 1/4, z', '1/4, 3/4, z', '1/4, 3/4, -z+1/2', '3/4, 1/4, -z+1/2', '1/4, 3/4, -z', '3/4, 1/4, -z', '3/4, 1/4, z+1/2', '1/4, 3/4, z+1/2'], ['0, 0, 0', '1/2, 1/2, 0', '1/2, 0, 0', '0, 1/2, 0', '0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 1/2', '0, 0, 1/2'], ['1/4, 1/4, z', '3/4, 3/4, -z+1/2', '3/4, 3/4, -z', '1/4, 1/4, z+1/2'], ['3/4, 1/4, 0', '1/4, 3/4, 0', '1/4, 3/4, 1/2', '3/4, 1/4, 1/2'], ['3/4, 1/4, 1/4', '1/4, 3/4, 1/4', '1/4, 3/4, 3/4', '3/4, 1/4, 3/4']]\"\n131,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, y, -z', 'x, -y, -z', 'y, x, -z+1/2', '-y, -x, -z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z+1/2', '-y, x, -z+1/2', 'x, -y, z', '-x, y, z', '-y, -x, z+1/2', 'y, x, z+1/2'], ['x, y, 0', '-x, -y, 0', '-y, x, 1/2', 'y, -x, 1/2', '-x, y, 0', 'x, -y, 0', 'y, x, 1/2', '-y, -x, 1/2'], ['1/2, y, z', '1/2, -y, z', '-y, 1/2, z+1/2', 'y, 1/2, z+1/2', '1/2, y, -z', '1/2, -y, -z', 'y, 1/2, -z+1/2', '-y, 1/2, -z+1/2'], ['0, y, z', '0, -y, z', '-y, 0, z+1/2', 'y, 0, z+1/2', '0, y, -z', '0, -y, -z', 'y, 0, -z+1/2', '-y, 0, -z+1/2'], ['x, x, 1/4', '-x, -x, 1/4', '-x, x, 3/4', 'x, -x, 3/4', '-x, -x, 3/4', 'x, x, 3/4', 'x, -x, 1/4', '-x, x, 1/4'], ['x, 1/2, 0', '-x, 1/2, 0', '1/2, x, 1/2', '1/2, -x, 1/2'], ['x, 0, 1/2', '-x, 0, 1/2', '0, x, 0', '0, -x, 0'], ['x, 1/2, 1/2', '-x, 1/2, 1/2', '1/2, x, 0', '1/2, -x, 0'], ['x, 0, 0', '-x, 0, 0', '0, x, 1/2', '0, -x, 1/2'], ['0, 1/2, z', '1/2, 0, z+1/2', '0, 1/2, -z', '1/2, 0, -z+1/2'], ['1/2, 1/2, z', '1/2, 1/2, z+1/2', '1/2, 1/2, -z', '1/2, 1/2, -z+1/2'], ['0, 0, z', '0, 0, z+1/2', '0, 0, -z', '0, 0, -z+1/2'], ['1/2, 1/2, 1/4', '1/2, 1/2, 3/4'], ['0, 0, 1/4', '0, 0, 3/4'], ['0, 1/2, 1/2', '1/2, 0, 0'], ['0, 1/2, 0', '1/2, 0, 1/2'], ['1/2, 1/2, 0', '1/2, 1/2, 1/2'], ['0, 0, 0', '0, 0, 1/2']]\"\n132,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, x, -z', '-y, -x, -z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z+1/2', '-y, x, -z+1/2', 'x, -y, z+1/2', '-x, y, z+1/2', '-y, -x, z', 'y, x, z'], ['x, x, z', '-x, -x, z', '-x, x, z+1/2', 'x, -x, z+1/2', '-x, x, -z+1/2', 'x, -x, -z+1/2', 'x, x, -z', '-x, -x, -z'], ['x, y, 0', '-x, -y, 0', '-y, x, 1/2', 'y, -x, 1/2', '-x, y, 1/2', 'x, -y, 1/2', 'y, x, 0', '-y, -x, 0'], ['x, 1/2, 1/4', '-x, 1/2, 1/4', '1/2, x, 3/4', '1/2, -x, 3/4', '-x, 1/2, 3/4', 'x, 1/2, 3/4', '1/2, -x, 1/4', '1/2, x, 1/4'], ['x, 0, 1/4', '-x, 0, 1/4', '0, x, 3/4', '0, -x, 3/4', '-x, 0, 3/4', 'x, 0, 3/4', '0, -x, 1/4', '0, x, 1/4'], ['0, 1/2, z', '1/2, 0, z+1/2', '0, 1/2, -z+1/2', '1/2, 0, -z', '0, 1/2, -z', '1/2, 0, -z+1/2', '0, 1/2, z+1/2', '1/2, 0, z'], ['x, x, 1/2', '-x, -x, 1/2', '-x, x, 0', 'x, -x, 0'], ['x, x, 0', '-x, -x, 0', '-x, x, 1/2', 'x, -x, 1/2'], ['1/2, 1/2, z', '1/2, 1/2, z+1/2', '1/2, 1/2, -z+1/2', '1/2, 1/2, -z'], ['0, 0, z', '0, 0, z+1/2', '0, 0, -z+1/2', '0, 0, -z'], ['0, 1/2, 0', '1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 0, 0'], ['0, 1/2, 1/4', '1/2, 0, 3/4', '0, 1/2, 3/4', '1/2, 0, 1/4'], ['1/2, 1/2, 1/4', '1/2, 1/2, 3/4'], ['1/2, 1/2, 0', '1/2, 1/2, 1/2'], ['0, 0, 1/4', '0, 0, 3/4'], ['0, 0, 0', '0, 0, 1/2']]\"\n133,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x+1/2, y, -z', 'x, -y+1/2, -z', 'y, x, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2', 'x+1/2, -y, z', '-x, y+1/2, z', '-y, -x, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['x, x, 1/4', '-x+1/2, -x+1/2, 1/4', '-x+1/2, x, 3/4', 'x, -x+1/2, 3/4', '-x, -x, 3/4', 'x+1/2, x+1/2, 3/4', 'x+1/2, -x, 1/4', '-x, x+1/2, 1/4'], ['x, 1/4, 1/2', '-x+1/2, 1/4, 1/2', '1/4, x, 0', '1/4, -x+1/2, 0', '-x, 3/4, 1/2', 'x+1/2, 3/4, 1/2', '3/4, -x, 0', '3/4, x+1/2, 0'], ['x, 1/4, 0', '-x+1/2, 1/4, 0', '1/4, x, 1/2', '1/4, -x+1/2, 1/2', '-x, 3/4, 0', 'x+1/2, 3/4, 0', '3/4, -x, 1/2', '3/4, x+1/2, 1/2'], ['3/4, 1/4, z', '1/4, 3/4, z+1/2', '3/4, 1/4, -z', '1/4, 3/4, -z+1/2', '1/4, 3/4, -z', '3/4, 1/4, -z+1/2', '1/4, 3/4, z', '3/4, 1/4, z+1/2'], ['1/4, 1/4, z', '1/4, 1/4, z+1/2', '1/4, 1/4, -z', '1/4, 1/4, -z+1/2', '3/4, 3/4, -z', '3/4, 3/4, -z+1/2', '3/4, 3/4, z', '3/4, 3/4, z+1/2'], ['0, 0, 0', '1/2, 1/2, 0', '1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 0, 0', '0, 1/2, 0', '0, 0, 1/2', '1/2, 1/2, 1/2'], ['3/4, 1/4, 3/4', '1/4, 3/4, 1/4', '3/4, 1/4, 1/4', '1/4, 3/4, 3/4'], ['1/4, 1/4, 1/4', '1/4, 1/4, 3/4', '3/4, 3/4, 3/4', '3/4, 3/4, 1/4'], ['3/4, 1/4, 0', '1/4, 3/4, 1/2', '1/4, 3/4, 0', '3/4, 1/4, 1/2'], ['1/4, 1/4, 0', '1/4, 1/4, 1/2', '3/4, 3/4, 0', '3/4, 3/4, 1/2']]\"\n134,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'y, x, -z', '-y+1/2, -x+1/2, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2', 'x+1/2, -y, z+1/2', '-x, y+1/2, z+1/2', '-y, -x, z', 'y+1/2, x+1/2, z'], ['x, -x, z', '-x+1/2, x+1/2, z', 'x+1/2, x, z+1/2', '-x, -x+1/2, z+1/2', '-x+1/2, -x, -z+1/2', 'x, x+1/2, -z+1/2', '-x, x, -z', 'x+1/2, -x+1/2, -z'], ['x, x, 1/2', '-x+1/2, -x+1/2, 1/2', '-x+1/2, x, 0', 'x, -x+1/2, 0', '-x, -x, 1/2', 'x+1/2, x+1/2, 1/2', 'x+1/2, -x, 0', '-x, x+1/2, 0'], ['x, x, 0', '-x+1/2, -x+1/2, 0', '-x+1/2, x, 1/2', 'x, -x+1/2, 1/2', '-x, -x, 0', 'x+1/2, x+1/2, 0', 'x+1/2, -x, 1/2', '-x, x+1/2, 1/2'], ['x, 1/4, 1/4', '-x+1/2, 1/4, 1/4', '1/4, x, 3/4', '1/4, -x+1/2, 3/4', '-x, 3/4, 3/4', 'x+1/2, 3/4, 3/4', '3/4, -x, 1/4', '3/4, x+1/2, 1/4'], ['x, 1/4, 3/4', '-x+1/2, 1/4, 3/4', '1/4, x, 1/4', '1/4, -x+1/2, 1/4', '-x, 3/4, 1/4', 'x+1/2, 3/4, 1/4', '3/4, -x, 3/4', '3/4, x+1/2, 3/4'], ['1/4, 1/4, z', '1/4, 1/4, z+1/2', '1/4, 1/4, -z+1/2', '1/4, 1/4, -z', '3/4, 3/4, -z', '3/4, 3/4, -z+1/2', '3/4, 3/4, z+1/2', '3/4, 3/4, z'], ['3/4, 1/4, z', '1/4, 3/4, z+1/2', '3/4, 1/4, -z+1/2', '1/4, 3/4, -z'], ['0, 0, 0', '1/2, 1/2, 0', '1/2, 0, 1/2', '0, 1/2, 1/2'], ['0, 0, 1/2', '1/2, 1/2, 1/2', '1/2, 0, 0', '0, 1/2, 0'], ['1/4, 1/4, 0', '1/4, 1/4, 1/2', '3/4, 3/4, 0', '3/4, 3/4, 1/2'], ['1/4, 1/4, 1/4', '1/4, 1/4, 3/4', '3/4, 3/4, 3/4', '3/4, 3/4, 1/4'], ['3/4, 1/4, 1/4', '1/4, 3/4, 3/4'], ['1/4, 3/4, 1/4', '3/4, 1/4, 3/4']]\"\n135,\"[['x, y, z', '-x, -y, z', '-y, x, z+1/2', 'y, -x, z+1/2', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z+1/2', '-y, x, -z+1/2', 'x+1/2, -y+1/2, z', '-x+1/2, y+1/2, z', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['x, y, 0', '-x, -y, 0', '-y, x, 1/2', 'y, -x, 1/2', '-x+1/2, y+1/2, 0', 'x+1/2, -y+1/2, 0', 'y+1/2, x+1/2, 1/2', '-y+1/2, -x+1/2, 1/2'], ['x, x+1/2, 1/4', '-x, -x+1/2, 1/4', '-x+1/2, x, 3/4', 'x+1/2, -x, 3/4', '-x, -x+1/2, 3/4', 'x, x+1/2, 3/4', 'x+1/2, -x, 1/4', '-x+1/2, x, 1/4'], ['0, 1/2, z', '1/2, 0, z+1/2', '1/2, 0, -z', '0, 1/2, -z+1/2', '0, 1/2, -z', '1/2, 0, -z+1/2', '1/2, 0, z', '0, 1/2, z+1/2'], ['0, 0, z', '0, 0, z+1/2', '1/2, 1/2, -z', '1/2, 1/2, -z+1/2', '0, 0, -z', '0, 0, -z+1/2', '1/2, 1/2, z', '1/2, 1/2, z+1/2'], ['0, 1/2, 1/4', '1/2, 0, 3/4', '0, 1/2, 3/4', '1/2, 0, 1/4'], ['0, 1/2, 0', '1/2, 0, 1/2', '1/2, 0, 0', '0, 1/2, 1/2'], ['0, 0, 1/4', '0, 0, 3/4', '1/2, 1/2, 3/4', '1/2, 1/2, 1/4'], ['0, 0, 0', '0, 0, 1/2', '1/2, 1/2, 0', '1/2, 1/2, 1/2']]\"\n136,\"[['x, y, z', '-x, -y, z', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'y, x, -z', '-y, -x, -z', '-x, -y, -z', 'x, y, -z', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', '-y, -x, z', 'y, x, z'], ['x, x, z', '-x, -x, z', '-x+1/2, x+1/2, z+1/2', 'x+1/2, -x+1/2, z+1/2', '-x+1/2, x+1/2, -z+1/2', 'x+1/2, -x+1/2, -z+1/2', 'x, x, -z', '-x, -x, -z'], ['x, y, 0', '-x, -y, 0', '-y+1/2, x+1/2, 1/2', 'y+1/2, -x+1/2, 1/2', '-x+1/2, y+1/2, 1/2', 'x+1/2, -y+1/2, 1/2', 'y, x, 0', '-y, -x, 0'], ['0, 1/2, z', '0, 1/2, z+1/2', '1/2, 0, -z+1/2', '1/2, 0, -z', '0, 1/2, -z', '0, 1/2, -z+1/2', '1/2, 0, z+1/2', '1/2, 0, z'], ['x, -x, 0', '-x, x, 0', 'x+1/2, x+1/2, 1/2', '-x+1/2, -x+1/2, 1/2'], ['x, x, 0', '-x, -x, 0', '-x+1/2, x+1/2, 1/2', 'x+1/2, -x+1/2, 1/2'], ['0, 0, z', '1/2, 1/2, z+1/2', '1/2, 1/2, -z+1/2', '0, 0, -z'], ['0, 1/2, 1/4', '0, 1/2, 3/4', '1/2, 0, 1/4', '1/2, 0, 3/4'], ['0, 1/2, 0', '0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 0, 0'], ['0, 0, 1/2', '1/2, 1/2, 0'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n137,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x, y+1/2, -z', 'x+1/2, -y, -z', 'y+1/2, x+1/2, -z+1/2', '-y, -x, -z+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2', 'x, -y+1/2, z', '-x+1/2, y, z', '-y+1/2, -x+1/2, z+1/2', 'y, x, z+1/2'], ['1/4, y, z', '1/4, -y+1/2, z', '-y+1/2, 1/4, z+1/2', 'y, 1/4, z+1/2', '3/4, y+1/2, -z', '3/4, -y, -z', 'y+1/2, 3/4, -z+1/2', '-y, 3/4, -z+1/2'], ['x, -x, 1/4', '-x+1/2, x+1/2, 1/4', 'x+1/2, x, 3/4', '-x, -x+1/2, 3/4', '-x, x, 3/4', 'x+1/2, -x+1/2, 3/4', '-x+1/2, -x, 1/4', 'x, x+1/2, 1/4'], ['0, 0, 0', '1/2, 1/2, 0', '1/2, 0, 1/2', '0, 1/2, 1/2', '0, 1/2, 0', '1/2, 0, 0', '1/2, 1/2, 1/2', '0, 0, 1/2'], ['1/4, 1/4, z', '1/4, 1/4, z+1/2', '3/4, 3/4, -z', '3/4, 3/4, -z+1/2'], ['3/4, 1/4, z', '1/4, 3/4, z+1/2', '1/4, 3/4, -z', '3/4, 1/4, -z+1/2'], ['3/4, 1/4, 1/4', '1/4, 3/4, 3/4'], ['3/4, 1/4, 3/4', '1/4, 3/4, 1/4']]\"\n138,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z+1/2', 'y, -x+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y, -z+1/2', 'y+1/2, x+1/2, -z', '-y, -x, -z', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'y+1/2, -x, -z+1/2', '-y, x+1/2, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y, z+1/2', '-y+1/2, -x+1/2, z', 'y, x, z'], ['x, x, z', '-x+1/2, -x+1/2, z', '-x+1/2, x, z+1/2', 'x, -x+1/2, z+1/2', '-x, x+1/2, -z+1/2', 'x+1/2, -x, -z+1/2', 'x+1/2, x+1/2, -z', '-x, -x, -z'], ['x, -x, 0', '-x+1/2, x+1/2, 0', 'x+1/2, x, 1/2', '-x, -x+1/2, 1/2', '-x, x, 0', 'x+1/2, -x+1/2, 0', '-x+1/2, -x, 1/2', 'x, x+1/2, 1/2'], ['x, -x, 1/2', '-x+1/2, x+1/2, 1/2', 'x+1/2, x, 0', '-x, -x+1/2, 0', '-x, x, 1/2', 'x+1/2, -x+1/2, 1/2', '-x+1/2, -x, 0', 'x, x+1/2, 0'], ['3/4, 1/4, z', '1/4, 3/4, z+1/2', '1/4, 3/4, -z+1/2', '3/4, 1/4, -z', '1/4, 3/4, -z', '3/4, 1/4, -z+1/2', '3/4, 1/4, z+1/2', '1/4, 3/4, z'], ['1/4, 1/4, z', '1/4, 1/4, z+1/2', '3/4, 3/4, -z+1/2', '3/4, 3/4, -z'], ['0, 0, 0', '1/2, 1/2, 0', '1/2, 0, 1/2', '0, 1/2, 1/2'], ['0, 0, 1/2', '1/2, 1/2, 1/2', '1/2, 0, 0', '0, 1/2, 0'], ['3/4, 1/4, 3/4', '1/4, 3/4, 1/4', '1/4, 3/4, 3/4', '3/4, 1/4, 1/4'], ['3/4, 1/4, 0', '1/4, 3/4, 1/2', '1/4, 3/4, 0', '3/4, 1/4, 1/2']]\"\n139,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1/2, -z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, x+1/2, z+1/2'], ['0, y, z', '0, -y, z', '-y, 0, z', 'y, 0, z', '0, y, -z', '0, -y, -z', 'y, 0, -z', '-y, 0, -z', '1/2, y+1/2, z+1/2', '1/2, -y+1/2, z+1/2', '-y+1/2, 1/2, z+1/2', 'y+1/2, 1/2, z+1/2', '1/2, y+1/2, -z+1/2', '1/2, -y+1/2, -z+1/2', 'y+1/2, 1/2, -z+1/2', '-y+1/2, 1/2, -z+1/2'], ['x, x, z', '-x, -x, z', '-x, x, z', 'x, -x, z', '-x, x, -z', 'x, -x, -z', 'x, x, -z', '-x, -x, -z', 'x+1/2, x+1/2, z+1/2', '-x+1/2, -x+1/2, z+1/2', '-x+1/2, x+1/2, z+1/2', 'x+1/2, -x+1/2, z+1/2', '-x+1/2, x+1/2, -z+1/2', 'x+1/2, -x+1/2, -z+1/2', 'x+1/2, x+1/2, -z+1/2', '-x+1/2, -x+1/2, -z+1/2'], ['x, y, 0', '-x, -y, 0', '-y, x, 0', 'y, -x, 0', '-x, y, 0', 'x, -y, 0', 'y, x, 0', '-y, -x, 0', 'x+1/2, y+1/2, 1/2', '-x+1/2, -y+1/2, 1/2', '-y+1/2, x+1/2, 1/2', 'y+1/2, -x+1/2, 1/2', '-x+1/2, y+1/2, 1/2', 'x+1/2, -y+1/2, 1/2', 'y+1/2, x+1/2, 1/2', '-y+1/2, -x+1/2, 1/2'], ['x, x+1/2, 1/4', '-x, -x+1/2, 1/4', '-x+1/2, x, 1/4', 'x+1/2, -x, 1/4', '-x, -x+1/2, 3/4', 'x, x+1/2, 3/4', 'x+1/2, -x, 3/4', '-x+1/2, x, 3/4', 'x+1/2, x+1, 3/4', '-x+1/2, -x+1, 3/4', '-x+1, x+1/2, 3/4', 'x+1, -x+1/2, 3/4', '-x+1/2, -x+1, 5/4', 'x+1/2, x+1, 5/4', 'x+1, -x+1/2, 5/4', '-x+1, x+1/2, 5/4'], ['x, 1/2, 0', '-x, 1/2, 0', '1/2, x, 0', '1/2, -x, 0', 'x+1/2, 1, 1/2', '-x+1/2, 1, 1/2', '1, x+1/2, 1/2', '1, -x+1/2, 1/2'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', 'x+1/2, 1/2, 1/2', '-x+1/2, 1/2, 1/2', '1/2, x+1/2, 1/2', '1/2, -x+1/2, 1/2'], ['x, x, 0', '-x, -x, 0', '-x, x, 0', 'x, -x, 0', 'x+1/2, x+1/2, 1/2', '-x+1/2, -x+1/2, 1/2', '-x+1/2, x+1/2, 1/2', 'x+1/2, -x+1/2, 1/2'], ['0, 1/2, z', '1/2, 0, z', '0, 1/2, -z', '1/2, 0, -z', '1/2, 1, z+1/2', '1, 1/2, z+1/2', '1/2, 1, -z+1/2', '1, 1/2, -z+1/2'], ['1/4, 1/4, 1/4', '3/4, 3/4, 1/4', '3/4, 1/4, 1/4', '1/4, 3/4, 1/4', '3/4, 3/4, 3/4', '5/4, 5/4, 3/4', '5/4, 3/4, 3/4', '3/4, 5/4, 3/4'], ['0, 0, z', '0, 0, -z', '1/2, 1/2, z+1/2', '1/2, 1/2, -z+1/2'], ['0, 1/2, 1/4', '1/2, 0, 1/4', '1/2, 1, 3/4', '1, 1/2, 3/4'], ['0, 1/2, 0', '1/2, 0, 0', '1/2, 1, 1/2', '1, 1/2, 1/2'], ['0, 0, 1/2', '1/2, 1/2, 1'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n140,\"[['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x, -y, z+1/2', '-x, y, z+1/2', '-y, -x, z+1/2', 'y, x, z+1/2', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'y+1/2, -x+1/2, z+1/2', '-x+1/2, y+1/2, -z+1', 'x+1/2, -y+1/2, -z+1', 'y+1/2, x+1/2, -z+1', '-y+1/2, -x+1/2, -z+1', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1/2, -z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1', '-x+1/2, y+1/2, z+1', '-y+1/2, -x+1/2, z+1', 'y+1/2, x+1/2, z+1'], ['x, x+1/2, z', '-x, -x+1/2, z', '-x+1/2, x, z', 'x+1/2, -x, z', '-x, x+1/2, -z+1/2', 'x, -x+1/2, -z+1/2', 'x+1/2, x, -z+1/2', '-x+1/2, -x, -z+1/2', 'x+1/2, x+1, z+1/2', '-x+1/2, -x+1, z+1/2', '-x+1, x+1/2, z+1/2', 'x+1, -x+1/2, z+1/2', '-x+1/2, x+1, -z+1', 'x+1/2, -x+1, -z+1', 'x+1, x+1/2, -z+1', '-x+1, -x+1/2, -z+1'], ['x, y, 0', '-x, -y, 0', '-y, x, 0', 'y, -x, 0', '-x, y, 1/2', 'x, -y, 1/2', 'y, x, 1/2', '-y, -x, 1/2', 'x+1/2, y+1/2, 1/2', '-x+1/2, -y+1/2, 1/2', '-y+1/2, x+1/2, 1/2', 'y+1/2, -x+1/2, 1/2', '-x+1/2, y+1/2, 1', 'x+1/2, -y+1/2, 1', 'y+1/2, x+1/2, 1', '-y+1/2, -x+1/2, 1'], ['x, 0, 1/4', '-x, 0, 1/4', '0, x, 1/4', '0, -x, 1/4', '-x, 0, 3/4', 'x, 0, 3/4', '0, -x, 3/4', '0, x, 3/4', 'x+1/2, 1/2, 3/4', '-x+1/2, 1/2, 3/4', '1/2, x+1/2, 3/4', '1/2, -x+1/2, 3/4', '-x+1/2, 1/2, 5/4', 'x+1/2, 1/2, 5/4', '1/2, -x+1/2, 5/4', '1/2, x+1/2, 5/4'], ['x, x, 1/4', '-x, -x, 1/4', '-x, x, 1/4', 'x, -x, 1/4', '-x, -x, 3/4', 'x, x, 3/4', 'x, -x, 3/4', '-x, x, 3/4', 'x+1/2, x+1/2, 3/4', '-x+1/2, -x+1/2, 3/4', '-x+1/2, x+1/2, 3/4', 'x+1/2, -x+1/2, 3/4', '-x+1/2, -x+1/2, 5/4', 'x+1/2, x+1/2, 5/4', 'x+1/2, -x+1/2, 5/4', '-x+1/2, x+1/2, 5/4'], ['x, x+1/2, 0', '-x, -x+1/2, 0', '-x+1/2, x, 0', 'x+1/2, -x, 0', 'x+1/2, x+1, 1/2', '-x+1/2, -x+1, 1/2', '-x+1, x+1/2, 1/2', 'x+1, -x+1/2, 1/2'], ['0, 1/2, z', '1/2, 0, z', '0, 1/2, -z+1/2', '1/2, 0, -z+1/2', '1/2, 1, z+1/2', '1, 1/2, z+1/2', '1/2, 1, -z+1', '1, 1/2, -z+1'], ['0, 0, z', '0, 0, -z+1/2', '0, 0, -z', '0, 0, z+1/2', '1/2, 1/2, z+1/2', '1/2, 1/2, -z+1', '1/2, 1/2, -z+1/2', '1/2, 1/2, z+1'], ['1/4, 1/4, 1/4', '3/4, 3/4, 1/4', '3/4, 1/4, 1/4', '1/4, 3/4, 1/4', '3/4, 3/4, 3/4', '5/4, 5/4, 3/4', '5/4, 3/4, 3/4', '3/4, 5/4, 3/4'], ['0, 1/2, 0', '1/2, 0, 0', '1/2, 1, 1/2', '1, 1/2, 1/2'], ['0, 0, 0', '0, 0, 1/2', '1/2, 1/2, 1/2', '1/2, 1/2, 1'], ['0, 1/2, 1/4', '1/2, 0, 1/4', '1/2, 1, 3/4', '1, 1/2, 3/4'], ['0, 0, 1/4', '0, 0, 3/4', '1/2, 1/2, 3/4', '1/2, 1/2, 5/4']]\"\n141,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4', '-x+1/2, y, -z+1/2', 'x, -y, -z', 'y+1/4, x+3/4, -z+1/4', '-y+1/4, -x+1/4, -z+3/4', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4', 'x+1/2, -y, z+1/2', '-x, y, z', '-y+3/4, -x+1/4, z+3/4', 'y+3/4, x+3/4, z+1/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-y+3/4, x+5/4, z+3/4', 'y+3/4, -x+3/4, z+5/4', '-x+1, y+1/2, -z+1', 'x+1/2, -y+1/2, -z+1/2', 'y+3/4, x+5/4, -z+3/4', '-y+3/4, -x+3/4, -z+5/4', '-x+1/2, -y+1/2, -z+1/2', 'x+1, y+1/2, -z+1', 'y+5/4, -x+3/4, -z+5/4', '-y+5/4, x+5/4, -z+3/4', 'x+1, -y+1/2, z+1', '-x+1/2, y+1/2, z+1/2', '-y+5/4, -x+3/4, z+5/4', 'y+5/4, x+5/4, z+3/4'], ['0, y, z', '1/2, -y, z+1/2', '-y+1/4, 3/4, z+1/4', 'y+1/4, 1/4, z+3/4', '1/2, y, -z+1/2', '0, -y, -z', 'y+1/4, 3/4, -z+1/4', '-y+1/4, 1/4, -z+3/4', '1/2, y+1/2, z+1/2', '1, -y+1/2, z+1', '-y+3/4, 5/4, z+3/4', 'y+3/4, 3/4, z+5/4', '1, y+1/2, -z+1', '1/2, -y+1/2, -z+1/2', 'y+3/4, 5/4, -z+3/4', '-y+3/4, 3/4, -z+5/4'], ['x, x+1/4, 7/8', '-x+1/2, -x+3/4, 3/8', '-x, x+3/4, 1/8', 'x+1/2, -x+1/4, 5/8', '-x, -x+3/4, 1/8', 'x+1/2, x+1/4, 5/8', 'x, -x+1/4, 7/8', '-x+1/2, x+3/4, 3/8', 'x+1/2, x+3/4, 11/8', '-x+1, -x+5/4, 7/8', '-x+1/2, x+5/4, 5/8', 'x+1, -x+3/4, 9/8', '-x+1/2, -x+5/4, 5/8', 'x+1, x+3/4, 9/8', 'x+1/2, -x+3/4, 11/8', '-x+1, x+5/4, 7/8'], ['x, 0, 0', '-x+1/2, 0, 1/2', '1/4, x+3/4, 1/4', '1/4, -x+1/4, 3/4', '-x, 0, 0', 'x+1/2, 0, 1/2', '3/4, -x+1/4, 3/4', '3/4, x+3/4, 1/4', 'x+1/2, 1/2, 1/2', '-x+1, 1/2, 1', '3/4, x+5/4, 3/4', '3/4, -x+3/4, 5/4', '-x+1/2, 1/2, 1/2', 'x+1, 1/2, 1', '5/4, -x+3/4, 5/4', '5/4, x+5/4, 3/4'], ['0, 1/4, z', '0, 3/4, z+1/4', '1/2, 1/4, -z+1/2', '1/2, 3/4, -z+1/4', '1/2, 3/4, z+1/2', '1/2, 5/4, z+3/4', '1, 3/4, -z+1', '1, 5/4, -z+3/4'], ['0, 0, 1/2', '1/2, 0, 0', '1/4, 3/4, 3/4', '1/4, 1/4, 1/4', '1/2, 1/2, 1', '1, 1/2, 1/2', '3/4, 5/4, 5/4', '3/4, 3/4, 3/4'], ['0, 0, 0', '1/2, 0, 1/2', '1/4, 3/4, 1/4', '1/4, 1/4, 3/4', '1/2, 1/2, 1/2', '1, 1/2, 1', '3/4, 5/4, 3/4', '3/4, 3/4, 5/4'], ['0, 1/4, 3/8', '0, 3/4, 5/8', '1/2, 3/4, 7/8', '1/2, 5/4, 9/8'], ['0, 3/4, 1/8', '1/2, 3/4, 3/8', '1/2, 5/4, 5/8', '1, 5/4, 7/8']]\"\n142,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-y+1/4, x+3/4, z+1/4', 'y+1/4, -x+1/4, z+3/4', '-x+1/2, y, -z', 'x, -y, -z+1/2', 'y+1/4, x+3/4, -z+3/4', '-y+1/4, -x+1/4, -z+1/4', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4', 'x+1/2, -y, z', '-x, y, z+1/2', '-y+3/4, -x+1/4, z+1/4', 'y+3/4, x+3/4, z+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-y+3/4, x+5/4, z+3/4', 'y+3/4, -x+3/4, z+5/4', '-x+1, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1', 'y+3/4, x+5/4, -z+5/4', '-y+3/4, -x+3/4, -z+3/4', '-x+1/2, -y+1/2, -z+1/2', 'x+1, y+1/2, -z+1', 'y+5/4, -x+3/4, -z+5/4', '-y+5/4, x+5/4, -z+3/4', 'x+1, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1', '-y+5/4, -x+3/4, z+3/4', 'y+5/4, x+5/4, z+5/4'], ['x, x+1/4, 1/8', '-x+1/2, -x+3/4, 5/8', '-x, x+3/4, 3/8', 'x+1/2, -x+1/4, 7/8', '-x, -x+3/4, 7/8', 'x+1/2, x+1/4, 3/8', 'x, -x+1/4, 5/8', '-x+1/2, x+3/4, 1/8', 'x+1/2, x+3/4, 5/8', '-x+1, -x+5/4, 9/8', '-x+1/2, x+5/4, 7/8', 'x+1, -x+3/4, 11/8', '-x+1/2, -x+5/4, 11/8', 'x+1, x+3/4, 7/8', 'x+1/2, -x+3/4, 9/8', '-x+1, x+5/4, 5/8'], ['x, 0, 1/4', '-x+1/2, 0, 3/4', '1/4, x+3/4, 1/2', '1/4, -x+1/4, 0', '-x, 0, 3/4', 'x+1/2, 0, 1/4', '3/4, -x+1/4, 1/2', '3/4, x+3/4, 0', 'x+1/2, 1/2, 3/4', '-x+1, 1/2, 5/4', '3/4, x+5/4, 1', '3/4, -x+3/4, 1/2', '-x+1/2, 1/2, 5/4', 'x+1, 1/2, 3/4', '5/4, -x+3/4, 1', '5/4, x+5/4, 1/2'], ['0, 1/4, z', '0, 3/4, z+1/4', '1/2, 1/4, -z', '1/2, 3/4, -z+3/4', '0, 3/4, -z', '0, 1/4, -z+3/4', '1/2, 3/4, z', '1/2, 1/4, z+1/4', '1/2, 3/4, z+1/2', '1/2, 5/4, z+3/4', '1, 3/4, -z+1/2', '1, 5/4, -z+5/4', '1/2, 5/4, -z+1/2', '1/2, 3/4, -z+5/4', '1, 5/4, z+1/2', '1, 3/4, z+3/4'], ['0, 0, 0', '1/2, 0, 1/2', '1/4, 3/4, 1/4', '1/4, 1/4, 3/4', '1/2, 0, 0', '0, 0, 1/2', '1/4, 3/4, 3/4', '1/4, 1/4, 1/4', '1/2, 1/2, 1/2', '1, 1/2, 1', '3/4, 5/4, 3/4', '3/4, 3/4, 5/4', '1, 1/2, 1/2', '1/2, 1/2, 1', '3/4, 5/4, 5/4', '3/4, 3/4, 3/4'], ['0, 1/4, 1/8', '0, 3/4, 3/8', '0, 3/4, 7/8', '0, 1/4, 5/8', '1/2, 3/4, 5/8', '1/2, 5/4, 7/8', '1/2, 5/4, 11/8', '1/2, 3/4, 9/8'], ['0, 1/4, 3/8', '0, 3/4, 5/8', '1/2, 1/4, 5/8', '1/2, 3/4, 3/8', '1/2, 3/4, 7/8', '1/2, 5/4, 9/8', '1, 3/4, 9/8', '1, 5/4, 7/8']]\"\n143,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['2/3, 1/3, z'], ['1/3, 2/3, z'], ['0, 0, z']]\"\n144,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3']]\"\n145,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3']]\"\n146,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3'], ['0, 0, z', '2/3, 1/3, z+1/3', '1/3, 2/3, z+2/3']]\"\n147,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 1/2'], ['1/2, 0, 0', '0, 1/2, 0', '1/2, 1/2, 0'], ['1/3, 2/3, z', '2/3, 1/3, -z'], ['0, 0, z', '0, 0, -z'], ['0, 0, 1/2'], ['0, 0, 0']]\"\n148,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', '-x+2/3, -y+1/3, -z+1/3', 'y+2/3, -x+y+1/3, -z+1/3', 'x-y+2/3, x+1/3, -z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3', '-x+1/3, -y+2/3, -z+2/3', 'y+1/3, -x+y+2/3, -z+2/3', 'x-y+1/3, x+2/3, -z+2/3'], ['1/2, 0, 0', '0, 1/2, 0', '1/2, 1/2, 0', '7/6, 1/3, 1/3', '2/3, 5/6, 1/3', '7/6, 5/6, 1/3', '5/6, 2/3, 2/3', '1/3, 7/6, 2/3', '5/6, 7/6, 2/3'], ['1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 1/2', '7/6, 1/3, 5/6', '2/3, 5/6, 5/6', '7/6, 5/6, 5/6', '5/6, 2/3, 7/6', '1/3, 7/6, 7/6', '5/6, 7/6, 7/6'], ['0, 0, z', '0, 0, -z', '2/3, 1/3, z+1/3', '2/3, 1/3, -z+1/3', '1/3, 2/3, z+2/3', '1/3, 2/3, -z+2/3'], ['0, 0, 1/2', '2/3, 1/3, 5/6', '1/3, 2/3, 7/6'], ['0, 0, 0', '2/3, 1/3, 1/3', '1/3, 2/3, 2/3']]\"\n149,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, -x, 1/2', 'x, 2x, 1/2', '-2x, -x, 1/2'], ['x, -x, 0', 'x, 2x, 0', '-2x, -x, 0'], ['2/3, 1/3, z', '2/3, 1/3, -z'], ['1/3, 2/3, z', '1/3, 2/3, -z'], ['0, 0, z', '0, 0, -z'], ['2/3, 1/3, 1/2'], ['2/3, 1/3, 0'], ['1/3, 2/3, 1/2'], ['1/3, 2/3, 0'], ['0, 0, 1/2'], ['0, 0, 0']]\"\n150,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z'], ['x, 0, 1/2', '0, x, 1/2', '-x, -x, 1/2'], ['x, 0, 0', '0, x, 0', '-x, -x, 0'], ['1/3, 2/3, z', '2/3, 1/3, -z'], ['0, 0, z', '0, 0, -z'], ['0, 0, 1/2'], ['0, 0, 0']]\"\n151,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-y, -x, -z+2/3', '-x+y, y, -z+1/3', 'x, x-y, -z'], ['x, -x, 5/6', 'x, 2x, 1/6', '-2x, -x, 1/2'], ['x, -x, 1/3', 'x, 2x, 2/3', '-2x, -x, 0']]\"\n152,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', 'y, x, -z', 'x-y, -y, -z+2/3', '-x, -x+y, -z+1/3'], ['x, 0, 5/6', '0, x, 1/6', '-x, -x, 1/2'], ['x, 0, 1/3', '0, x, 2/3', '-x, -x, 0']]\"\n153,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-y, -x, -z+1/3', '-x+y, y, -z+2/3', 'x, x-y, -z'], ['x, -x, 1/6', 'x, 2x, 5/6', '-2x, -x, 1/2'], ['x, -x, 2/3', 'x, 2x, 1/3', '-2x, -x, 0']]\"\n154,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', 'y, x, -z', 'x-y, -y, -z+1/3', '-x, -x+y, -z+2/3'], ['x, 0, 1/6', '0, x, 5/6', '-x, -x, 1/2'], ['x, 0, 2/3', '0, x, 1/3', '-x, -x, 0']]\"\n155,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', 'y+2/3, x+1/3, -z+1/3', 'x-y+2/3, -y+1/3, -z+1/3', '-x+2/3, -x+y+1/3, -z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3', 'y+1/3, x+2/3, -z+2/3', 'x-y+1/3, -y+2/3, -z+2/3', '-x+1/3, -x+y+2/3, -z+2/3'], ['x, 0, 1/2', '0, x, 1/2', '-x, -x, 1/2', 'x+2/3, 1/3, 5/6', '2/3, x+1/3, 5/6', '-x+2/3, -x+1/3, 5/6', 'x+1/3, 2/3, 7/6', '1/3, x+2/3, 7/6', '-x+1/3, -x+2/3, 7/6'], ['x, 0, 0', '0, x, 0', '-x, -x, 0', 'x+2/3, 1/3, 1/3', '2/3, x+1/3, 1/3', '-x+2/3, -x+1/3, 1/3', 'x+1/3, 2/3, 2/3', '1/3, x+2/3, 2/3', '-x+1/3, -x+2/3, 2/3'], ['0, 0, z', '0, 0, -z', '2/3, 1/3, z+1/3', '2/3, 1/3, -z+1/3', '1/3, 2/3, z+2/3', '1/3, 2/3, -z+2/3'], ['0, 0, 1/2', '2/3, 1/3, 5/6', '1/3, 2/3, 7/6'], ['0, 0, 0', '2/3, 1/3, 1/3', '1/3, 2/3, 2/3']]\"\n156,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, -x, z', 'x, 2x, z', '-2x, -x, z'], ['2/3, 1/3, z'], ['1/3, 2/3, z'], ['0, 0, z']]\"\n157,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, 0, z', '0, x, z', '-x, -x, z'], ['1/3, 2/3, z', '2/3, 1/3, z'], ['0, 0, z']]\"\n158,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2'], ['2/3, 1/3, z', '2/3, 1/3, z+1/2'], ['1/3, 2/3, z', '1/3, 2/3, z+1/2'], ['0, 0, z', '0, 0, z+1/2']]\"\n159,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['1/3, 2/3, z', '2/3, 1/3, z+1/2'], ['0, 0, z', '0, 0, z+1/2']]\"\n160,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', '-y+2/3, -x+1/3, z+1/3', '-x+y+2/3, y+1/3, z+1/3', 'x+2/3, x-y+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3', '-y+1/3, -x+2/3, z+2/3', '-x+y+1/3, y+2/3, z+2/3', 'x+1/3, x-y+2/3, z+2/3'], ['x, -x, z', 'x, 2x, z', '-2x, -x, z', 'x+2/3, -x+1/3, z+1/3', 'x+2/3, 2x+1/3, z+1/3', '-2x+2/3, -x+1/3, z+1/3', 'x+1/3, -x+2/3, z+2/3', 'x+1/3, 2x+2/3, z+2/3', '-2x+1/3, -x+2/3, z+2/3'], ['0, 0, z', '2/3, 1/3, z+1/3', '1/3, 2/3, z+2/3']]\"\n161,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', '-y+2/3, -x+1/3, z+5/6', '-x+y+2/3, y+1/3, z+5/6', 'x+2/3, x-y+1/3, z+5/6', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3', '-y+1/3, -x+2/3, z+7/6', '-x+y+1/3, y+2/3, z+7/6', 'x+1/3, x-y+2/3, z+7/6'], ['0, 0, z', '0, 0, z+1/2', '2/3, 1/3, z+1/3', '2/3, 1/3, z+5/6', '1/3, 2/3, z+2/3', '1/3, 2/3, z+7/6']]\"\n162,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, 0, z', '0, x, z', '-x, -x, z', '0, -x, -z', '-x, 0, -z', 'x, x, -z'], ['x, -x, 1/2', 'x, 2x, 1/2', '-2x, -x, 1/2', '-x, x, 1/2', '-x, -2x, 1/2', '2x, x, 1/2'], ['x, -x, 0', 'x, 2x, 0', '-2x, -x, 0', '-x, x, 0', '-x, -2x, 0', '2x, x, 0'], ['1/3, 2/3, z', '1/3, 2/3, -z', '2/3, 1/3, -z', '2/3, 1/3, z'], ['1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 1/2'], ['1/2, 0, 0', '0, 1/2, 0', '1/2, 1/2, 0'], ['0, 0, z', '0, 0, -z'], ['1/3, 2/3, 1/2', '2/3, 1/3, 1/2'], ['1/3, 2/3, 0', '2/3, 1/3, 0'], ['0, 0, 1/2'], ['0, 0, 0']]\"\n163,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['x, -x, 1/4', 'x, 2x, 1/4', '-2x, -x, 1/4', '-x, x, 3/4', '-x, -2x, 3/4', '2x, x, 3/4'], ['1/2, 0, 0', '0, 1/2, 0', '1/2, 1/2, 0', '0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 1/2'], ['1/3, 2/3, z', '1/3, 2/3, -z+1/2', '2/3, 1/3, -z', '2/3, 1/3, z+1/2'], ['0, 0, z', '0, 0, -z+1/2', '0, 0, -z', '0, 0, z+1/2'], ['2/3, 1/3, 1/4', '1/3, 2/3, 3/4'], ['1/3, 2/3, 1/4', '2/3, 1/3, 3/4'], ['0, 0, 0', '0, 0, 1/2'], ['0, 0, 1/4', '0, 0, 3/4']]\"\n164,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, -x, z', 'x, 2x, z', '-2x, -x, z', '-x, x, -z', '2x, x, -z', '-x, -2x, -z'], ['x, 0, 1/2', '0, x, 1/2', '-x, -x, 1/2', '-x, 0, 1/2', '0, -x, 1/2', 'x, x, 1/2'], ['x, 0, 0', '0, x, 0', '-x, -x, 0', '-x, 0, 0', '0, -x, 0', 'x, x, 0'], ['1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 1/2'], ['1/2, 0, 0', '0, 1/2, 0', '1/2, 1/2, 0'], ['1/3, 2/3, z', '2/3, 1/3, -z'], ['0, 0, z', '0, 0, -z'], ['0, 0, 1/2'], ['0, 0, 0']]\"\n165,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2'], ['x, 0, 1/4', '0, x, 1/4', '-x, -x, 1/4', '-x, 0, 3/4', '0, -x, 3/4', 'x, x, 3/4'], ['1/2, 0, 0', '0, 1/2, 0', '1/2, 1/2, 0', '0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 1/2'], ['1/3, 2/3, z', '2/3, 1/3, -z+1/2', '2/3, 1/3, -z', '1/3, 2/3, z+1/2'], ['0, 0, z', '0, 0, -z+1/2', '0, 0, -z', '0, 0, z+1/2'], ['0, 0, 0', '0, 0, 1/2'], ['0, 0, 1/4', '0, 0, 3/4']]\"\n166,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', 'y+2/3, x+1/3, -z+1/3', 'x-y+2/3, -y+1/3, -z+1/3', '-x+2/3, -x+y+1/3, -z+1/3', '-x+2/3, -y+1/3, -z+1/3', 'y+2/3, -x+y+1/3, -z+1/3', 'x-y+2/3, x+1/3, -z+1/3', '-y+2/3, -x+1/3, z+1/3', '-x+y+2/3, y+1/3, z+1/3', 'x+2/3, x-y+1/3, z+1/3', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3', 'y+1/3, x+2/3, -z+2/3', 'x-y+1/3, -y+2/3, -z+2/3', '-x+1/3, -x+y+2/3, -z+2/3', '-x+1/3, -y+2/3, -z+2/3', 'y+1/3, -x+y+2/3, -z+2/3', 'x-y+1/3, x+2/3, -z+2/3', '-y+1/3, -x+2/3, z+2/3', '-x+y+1/3, y+2/3, z+2/3', 'x+1/3, x-y+2/3, z+2/3'], ['x, -x, z', 'x, 2x, z', '-2x, -x, z', '-x, x, -z', '2x, x, -z', '-x, -2x, -z', 'x+2/3, -x+1/3, z+1/3', 'x+2/3, 2x+1/3, z+1/3', '-2x+2/3, -x+1/3, z+1/3', '-x+2/3, x+1/3, -z+1/3', '2x+2/3, x+1/3, -z+1/3', '-x+2/3, -2x+1/3, -z+1/3', 'x+1/3, -x+2/3, z+2/3', 'x+1/3, 2x+2/3, z+2/3', '-2x+1/3, -x+2/3, z+2/3', '-x+1/3, x+2/3, -z+2/3', '2x+1/3, x+2/3, -z+2/3', '-x+1/3, -2x+2/3, -z+2/3'], ['x, 0, 1/2', '0, x, 1/2', '-x, -x, 1/2', '-x, 0, 1/2', '0, -x, 1/2', 'x, x, 1/2', 'x+2/3, 1/3, 5/6', '2/3, x+1/3, 5/6', '-x+2/3, -x+1/3, 5/6', '-x+2/3, 1/3, 5/6', '2/3, -x+1/3, 5/6', 'x+2/3, x+1/3, 5/6', 'x+1/3, 2/3, 7/6', '1/3, x+2/3, 7/6', '-x+1/3, -x+2/3, 7/6', '-x+1/3, 2/3, 7/6', '1/3, -x+2/3, 7/6', 'x+1/3, x+2/3, 7/6'], ['x, 0, 0', '0, x, 0', '-x, -x, 0', '-x, 0, 0', '0, -x, 0', 'x, x, 0', 'x+2/3, 1/3, 1/3', '2/3, x+1/3, 1/3', '-x+2/3, -x+1/3, 1/3', '-x+2/3, 1/3, 1/3', '2/3, -x+1/3, 1/3', 'x+2/3, x+1/3, 1/3', 'x+1/3, 2/3, 2/3', '1/3, x+2/3, 2/3', '-x+1/3, -x+2/3, 2/3', '-x+1/3, 2/3, 2/3', '1/3, -x+2/3, 2/3', 'x+1/3, x+2/3, 2/3'], ['1/2, 0, 0', '0, 1/2, 0', '1/2, 1/2, 0', '7/6, 1/3, 1/3', '2/3, 5/6, 1/3', '7/6, 5/6, 1/3', '5/6, 2/3, 2/3', '1/3, 7/6, 2/3', '5/6, 7/6, 2/3'], ['1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 1/2', '7/6, 1/3, 5/6', '2/3, 5/6, 5/6', '7/6, 5/6, 5/6', '5/6, 2/3, 7/6', '1/3, 7/6, 7/6', '5/6, 7/6, 7/6'], ['0, 0, z', '0, 0, -z', '2/3, 1/3, z+1/3', '2/3, 1/3, -z+1/3', '1/3, 2/3, z+2/3', '1/3, 2/3, -z+2/3'], ['0, 0, 1/2', '2/3, 1/3, 5/6', '1/3, 2/3, 7/6'], ['0, 0, 0', '2/3, 1/3, 1/3', '1/3, 2/3, 2/3']]\"\n167,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2', 'x+2/3, y+1/3, z+1/3', '-y+2/3, x-y+1/3, z+1/3', '-x+y+2/3, -x+1/3, z+1/3', 'y+2/3, x+1/3, -z+5/6', 'x-y+2/3, -y+1/3, -z+5/6', '-x+2/3, -x+y+1/3, -z+5/6', '-x+2/3, -y+1/3, -z+1/3', 'y+2/3, -x+y+1/3, -z+1/3', 'x-y+2/3, x+1/3, -z+1/3', '-y+2/3, -x+1/3, z+5/6', '-x+y+2/3, y+1/3, z+5/6', 'x+2/3, x-y+1/3, z+5/6', 'x+1/3, y+2/3, z+2/3', '-y+1/3, x-y+2/3, z+2/3', '-x+y+1/3, -x+2/3, z+2/3', 'y+1/3, x+2/3, -z+7/6', 'x-y+1/3, -y+2/3, -z+7/6', '-x+1/3, -x+y+2/3, -z+7/6', '-x+1/3, -y+2/3, -z+2/3', 'y+1/3, -x+y+2/3, -z+2/3', 'x-y+1/3, x+2/3, -z+2/3', '-y+1/3, -x+2/3, z+7/6', '-x+y+1/3, y+2/3, z+7/6', 'x+1/3, x-y+2/3, z+7/6'], ['x, 0, 1/4', '0, x, 1/4', '-x, -x, 1/4', '-x, 0, 3/4', '0, -x, 3/4', 'x, x, 3/4', 'x+2/3, 1/3, 7/12', '2/3, x+1/3, 7/12', '-x+2/3, -x+1/3, 7/12', '-x+2/3, 1/3, 13/12', '2/3, -x+1/3, 13/12', 'x+2/3, x+1/3, 13/12', 'x+1/3, 2/3, 11/12', '1/3, x+2/3, 11/12', '-x+1/3, -x+2/3, 11/12', '-x+1/3, 2/3, 17/12', '1/3, -x+2/3, 17/12', 'x+1/3, x+2/3, 17/12'], ['1/2, 0, 0', '0, 1/2, 0', '1/2, 1/2, 0', '0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 1/2', '7/6, 1/3, 1/3', '2/3, 5/6, 1/3', '7/6, 5/6, 1/3', '2/3, 5/6, 5/6', '7/6, 1/3, 5/6', '7/6, 5/6, 5/6', '5/6, 2/3, 2/3', '1/3, 7/6, 2/3', '5/6, 7/6, 2/3', '1/3, 7/6, 7/6', '5/6, 2/3, 7/6', '5/6, 7/6, 7/6'], ['0, 0, z', '0, 0, -z+1/2', '0, 0, -z', '0, 0, z+1/2', '2/3, 1/3, z+1/3', '2/3, 1/3, -z+5/6', '2/3, 1/3, -z+1/3', '2/3, 1/3, z+5/6', '1/3, 2/3, z+2/3', '1/3, 2/3, -z+7/6', '1/3, 2/3, -z+2/3', '1/3, 2/3, z+7/6'], ['0, 0, 0', '0, 0, 1/2', '2/3, 1/3, 1/3', '2/3, 1/3, 5/6', '1/3, 2/3, 2/3', '1/3, 2/3, 7/6'], ['0, 0, 1/4', '0, 0, 3/4', '2/3, 1/3, 7/12', '2/3, 1/3, 13/12', '1/3, 2/3, 11/12', '1/3, 2/3, 17/12']]\"\n168,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['1/2, 0, z', '0, 1/2, z', '1/2, 1/2, z'], ['1/3, 2/3, z', '2/3, 1/3, z'], ['0, 0, z']]\"\n169,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z+1/2', 'y, -x+y, z+5/6', 'x-y, x, z+1/6']]\"\n170,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z+1/2', 'y, -x+y, z+1/6', 'x-y, x, z+5/6']]\"\n171,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z', 'y, -x+y, z+2/3', 'x-y, x, z+1/3'], ['1/2, 1/2, z', '1/2, 0, z+2/3', '0, 1/2, z+1/3'], ['0, 0, z', '0, 0, z+2/3', '0, 0, z+1/3']]\"\n172,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z', 'y, -x+y, z+1/3', 'x-y, x, z+2/3'], ['1/2, 1/2, z', '1/2, 0, z+1/3', '0, 1/2, z+2/3'], ['0, 0, z', '0, 0, z+1/3', '0, 0, z+2/3']]\"\n173,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2'], ['1/3, 2/3, z', '2/3, 1/3, z+1/2'], ['0, 0, z', '0, 0, z+1/2']]\"\n174,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, 1/2', '-y, x-y, 1/2', '-x+y, -x, 1/2'], ['x, y, 0', '-y, x-y, 0', '-x+y, -x, 0'], ['2/3, 1/3, z', '2/3, 1/3, -z'], ['1/3, 2/3, z', '1/3, 2/3, -z'], ['0, 0, z', '0, 0, -z'], ['2/3, 1/3, 1/2'], ['2/3, 1/3, 0'], ['1/3, 2/3, 1/2'], ['1/3, 2/3, 0'], ['0, 0, 1/2'], ['0, 0, 0']]\"\n175,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, 1/2', '-y, x-y, 1/2', '-x+y, -x, 1/2', '-x, -y, 1/2', 'y, -x+y, 1/2', 'x-y, x, 1/2'], ['x, y, 0', '-y, x-y, 0', '-x+y, -x, 0', '-x, -y, 0', 'y, -x+y, 0', 'x-y, x, 0'], ['1/2, 0, z', '0, 1/2, z', '1/2, 1/2, z', '1/2, 0, -z', '0, 1/2, -z', '1/2, 1/2, -z'], ['1/3, 2/3, z', '2/3, 1/3, z', '2/3, 1/3, -z', '1/3, 2/3, -z'], ['1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 1/2'], ['1/2, 0, 0', '0, 1/2, 0', '1/2, 1/2, 0'], ['0, 0, z', '0, 0, -z'], ['1/3, 2/3, 1/2', '2/3, 1/3, 1/2'], ['1/3, 2/3, 0', '2/3, 1/3, 0'], ['0, 0, 1/2'], ['0, 0, 0']]\"\n176,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2'], ['x, y, 1/4', '-y, x-y, 1/4', '-x+y, -x, 1/4', '-x, -y, 3/4', 'y, -x+y, 3/4', 'x-y, x, 3/4'], ['1/2, 0, 0', '0, 1/2, 0', '1/2, 1/2, 0', '1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 1/2'], ['1/3, 2/3, z', '2/3, 1/3, z+1/2', '2/3, 1/3, -z', '1/3, 2/3, -z+1/2'], ['0, 0, z', '0, 0, z+1/2', '0, 0, -z', '0, 0, -z+1/2'], ['2/3, 1/3, 1/4', '1/3, 2/3, 3/4'], ['1/3, 2/3, 1/4', '2/3, 1/3, 3/4'], ['0, 0, 0', '0, 0, 1/2'], ['0, 0, 1/4', '0, 0, 3/4']]\"\n177,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, -x, 1/2', 'x, 2x, 1/2', '-2x, -x, 1/2', '-x, x, 1/2', '-x, -2x, 1/2', '2x, x, 1/2'], ['x, -x, 0', 'x, 2x, 0', '-2x, -x, 0', '-x, x, 0', '-x, -2x, 0', '2x, x, 0'], ['x, 0, 1/2', '0, x, 1/2', '-x, -x, 1/2', '-x, 0, 1/2', '0, -x, 1/2', 'x, x, 1/2'], ['x, 0, 0', '0, x, 0', '-x, -x, 0', '-x, 0, 0', '0, -x, 0', 'x, x, 0'], ['1/2, 0, z', '0, 1/2, z', '1/2, 1/2, z', '0, 1/2, -z', '1/2, 0, -z', '1/2, 1/2, -z'], ['1/3, 2/3, z', '2/3, 1/3, z', '2/3, 1/3, -z', '1/3, 2/3, -z'], ['1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 1/2'], ['1/2, 0, 0', '0, 1/2, 0', '1/2, 1/2, 0'], ['0, 0, z', '0, 0, -z'], ['1/3, 2/3, 1/2', '2/3, 1/3, 1/2'], ['1/3, 2/3, 0', '2/3, 1/3, 0'], ['0, 0, 1/2'], ['0, 0, 0']]\"\n178,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z+1/2', 'y, -x+y, z+5/6', 'x-y, x, z+1/6', 'y, x, -z+1/3', 'x-y, -y, -z', '-x, -x+y, -z+2/3', '-y, -x, -z+5/6', '-x+y, y, -z+1/2', 'x, x-y, -z+1/6'], ['x, 2x, 1/4', '-2x, -x, 7/12', 'x, -x, 11/12', '-x, -2x, 3/4', '2x, x, 1/12', '-x, x, 5/12'], ['x, 0, 0', '0, x, 1/3', '-x, -x, 2/3', '-x, 0, 1/2', '0, -x, 5/6', 'x, x, 1/6']]\"\n179,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z+1/2', 'y, -x+y, z+1/6', 'x-y, x, z+5/6', 'y, x, -z+2/3', 'x-y, -y, -z', '-x, -x+y, -z+1/3', '-y, -x, -z+1/6', '-x+y, y, -z+1/2', 'x, x-y, -z+5/6'], ['x, 2x, 3/4', '-2x, -x, 5/12', 'x, -x, 1/12', '-x, -2x, 1/4', '2x, x, 11/12', '-x, x, 7/12'], ['x, 0, 0', '0, x, 2/3', '-x, -x, 1/3', '-x, 0, 1/2', '0, -x, 1/6', 'x, x, 5/6']]\"\n180,\"[['x, y, z', '-y, x-y, z+2/3', '-x+y, -x, z+1/3', '-x, -y, z', 'y, -x+y, z+2/3', 'x-y, x, z+1/3', 'y, x, -z+2/3', 'x-y, -y, -z', '-x, -x+y, -z+1/3', '-y, -x, -z+2/3', '-x+y, y, -z', 'x, x-y, -z+1/3'], ['x, 2x, 1/2', '-2x, -x, 1/6', 'x, -x, 5/6', '-x, -2x, 1/2', '2x, x, 1/6', '-x, x, 5/6'], ['x, 2x, 0', '-2x, -x, 2/3', 'x, -x, 1/3', '-x, -2x, 0', '2x, x, 2/3', '-x, x, 1/3'], ['x, 0, 1/2', '0, x, 1/6', '-x, -x, 5/6', '-x, 0, 1/2', '0, -x, 1/6', 'x, x, 5/6'], ['x, 0, 0', '0, x, 2/3', '-x, -x, 1/3', '-x, 0, 0', '0, -x, 2/3', 'x, x, 1/3'], ['1/2, 0, z', '0, 1/2, z+2/3', '1/2, 1/2, z+1/3', '0, 1/2, -z+2/3', '1/2, 0, -z', '1/2, 1/2, -z+1/3'], ['0, 0, z', '0, 0, z+2/3', '0, 0, z+1/3', '0, 0, -z+2/3', '0, 0, -z', '0, 0, -z+1/3'], ['1/2, 0, 1/2', '0, 1/2, 1/6', '1/2, 1/2, 5/6'], ['1/2, 0, 0', '0, 1/2, 2/3', '1/2, 1/2, 1/3'], ['0, 0, 1/2', '0, 0, 1/6', '0, 0, 5/6'], ['0, 0, 0', '0, 0, 2/3', '0, 0, 1/3']]\"\n181,\"[['x, y, z', '-y, x-y, z+1/3', '-x+y, -x, z+2/3', '-x, -y, z', 'y, -x+y, z+1/3', 'x-y, x, z+2/3', 'y, x, -z+1/3', 'x-y, -y, -z', '-x, -x+y, -z+2/3', '-y, -x, -z+1/3', '-x+y, y, -z', 'x, x-y, -z+2/3'], ['x, 2x, 1/2', '-2x, -x, 5/6', 'x, -x, 1/6', '-x, -2x, 1/2', '2x, x, 5/6', '-x, x, 1/6'], ['x, 2x, 0', '-2x, -x, 1/3', 'x, -x, 2/3', '-x, -2x, 0', '2x, x, 1/3', '-x, x, 2/3'], ['x, 0, 1/2', '0, x, 5/6', '-x, -x, 1/6', '-x, 0, 1/2', '0, -x, 5/6', 'x, x, 1/6'], ['x, 0, 0', '0, x, 1/3', '-x, -x, 2/3', '-x, 0, 0', '0, -x, 1/3', 'x, x, 2/3'], ['1/2, 0, z', '0, 1/2, z+1/3', '1/2, 1/2, z+2/3', '0, 1/2, -z+1/3', '1/2, 0, -z', '1/2, 1/2, -z+2/3'], ['0, 0, z', '0, 0, z+1/3', '0, 0, z+2/3', '0, 0, -z+1/3', '0, 0, -z', '0, 0, -z+2/3'], ['1/2, 0, 1/2', '0, 1/2, 5/6', '1/2, 1/2, 1/6'], ['1/2, 0, 0', '0, 1/2, 1/3', '1/2, 1/2, 2/3'], ['0, 0, 1/2', '0, 0, 5/6', '0, 0, 1/6'], ['0, 0, 0', '0, 0, 1/3', '0, 0, 2/3']]\"\n182,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, 2x, 1/4', '-2x, -x, 1/4', 'x, -x, 1/4', '-x, -2x, 3/4', '2x, x, 3/4', '-x, x, 3/4'], ['x, 0, 0', '0, x, 0', '-x, -x, 0', '-x, 0, 1/2', '0, -x, 1/2', 'x, x, 1/2'], ['1/3, 2/3, z', '2/3, 1/3, z+1/2', '2/3, 1/3, -z', '1/3, 2/3, -z+1/2'], ['0, 0, z', '0, 0, z+1/2', '0, 0, -z', '0, 0, -z+1/2'], ['1/3, 2/3, 3/4', '2/3, 1/3, 1/4'], ['1/3, 2/3, 1/4', '2/3, 1/3, 3/4'], ['0, 0, 1/4', '0, 0, 3/4'], ['0, 0, 0', '0, 0, 1/2']]\"\n183,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, -x, z', 'x, 2x, z', '-2x, -x, z', '-x, x, z', '-x, -2x, z', '2x, x, z'], ['x, 0, z', '0, x, z', '-x, -x, z', '-x, 0, z', '0, -x, z', 'x, x, z'], ['1/2, 0, z', '0, 1/2, z', '1/2, 1/2, z'], ['1/3, 2/3, z', '2/3, 1/3, z'], ['0, 0, z']]\"\n184,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['1/2, 0, z', '0, 1/2, z', '1/2, 1/2, z', '0, 1/2, z+1/2', '1/2, 0, z+1/2', '1/2, 1/2, z+1/2'], ['1/3, 2/3, z', '2/3, 1/3, z', '1/3, 2/3, z+1/2', '2/3, 1/3, z+1/2'], ['0, 0, z', '0, 0, z+1/2']]\"\n185,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, 0, z', '0, x, z', '-x, -x, z', '-x, 0, z+1/2', '0, -x, z+1/2', 'x, x, z+1/2'], ['1/3, 2/3, z', '2/3, 1/3, z+1/2', '1/3, 2/3, z+1/2', '2/3, 1/3, z'], ['0, 0, z', '0, 0, z+1/2']]\"\n186,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['x, -x, z', 'x, 2x, z', '-2x, -x, z', '-x, x, z+1/2', '-x, -2x, z+1/2', '2x, x, z+1/2'], ['1/3, 2/3, z', '2/3, 1/3, z+1/2'], ['0, 0, z', '0, 0, z+1/2']]\"\n187,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, -x, z', 'x, 2x, z', '-2x, -x, z', 'x, -x, -z', 'x, 2x, -z', '-2x, -x, -z'], ['x, y, 1/2', '-y, x-y, 1/2', '-x+y, -x, 1/2', '-y, -x, 1/2', '-x+y, y, 1/2', 'x, x-y, 1/2'], ['x, y, 0', '-y, x-y, 0', '-x+y, -x, 0', '-y, -x, 0', '-x+y, y, 0', 'x, x-y, 0'], ['x, -x, 1/2', 'x, 2x, 1/2', '-2x, -x, 1/2'], ['x, -x, 0', 'x, 2x, 0', '-2x, -x, 0'], ['2/3, 1/3, z', '2/3, 1/3, -z'], ['1/3, 2/3, z', '1/3, 2/3, -z'], ['0, 0, z', '0, 0, -z'], ['2/3, 1/3, 1/2'], ['2/3, 1/3, 0'], ['1/3, 2/3, 1/2'], ['1/3, 2/3, 0'], ['0, 0, 1/2'], ['0, 0, 0']]\"\n188,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, 1/4', '-y, x-y, 1/4', '-x+y, -x, 1/4', '-y, -x, 3/4', '-x+y, y, 3/4', 'x, x-y, 3/4'], ['x, -x, 0', 'x, 2x, 0', '-2x, -x, 0', 'x, -x, 1/2', 'x, 2x, 1/2', '-2x, -x, 1/2'], ['2/3, 1/3, z', '2/3, 1/3, -z+1/2', '2/3, 1/3, z+1/2', '2/3, 1/3, -z'], ['1/3, 2/3, z', '1/3, 2/3, -z+1/2', '1/3, 2/3, z+1/2', '1/3, 2/3, -z'], ['0, 0, z', '0, 0, -z+1/2', '0, 0, z+1/2', '0, 0, -z'], ['2/3, 1/3, 1/4', '2/3, 1/3, 3/4'], ['2/3, 1/3, 0', '2/3, 1/3, 1/2'], ['1/3, 2/3, 1/4', '1/3, 2/3, 3/4'], ['1/3, 2/3, 0', '1/3, 2/3, 1/2'], ['0, 0, 1/4', '0, 0, 3/4'], ['0, 0, 0', '0, 0, 1/2']]\"\n189,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, 1/2', '-y, x-y, 1/2', '-x+y, -x, 1/2', 'y, x, 1/2', 'x-y, -y, 1/2', '-x, -x+y, 1/2'], ['x, y, 0', '-y, x-y, 0', '-x+y, -x, 0', 'y, x, 0', 'x-y, -y, 0', '-x, -x+y, 0'], ['x, 0, z', '0, x, z', '-x, -x, z', 'x, 0, -z', '0, x, -z', '-x, -x, -z'], ['1/3, 2/3, z', '1/3, 2/3, -z', '2/3, 1/3, -z', '2/3, 1/3, z'], ['x, 0, 1/2', '0, x, 1/2', '-x, -x, 1/2'], ['x, 0, 0', '0, x, 0', '-x, -x, 0'], ['0, 0, z', '0, 0, -z'], ['1/3, 2/3, 1/2', '2/3, 1/3, 1/2'], ['1/3, 2/3, 0', '2/3, 1/3, 0'], ['0, 0, 1/2'], ['0, 0, 0']]\"\n190,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['x, y, 1/4', '-y, x-y, 1/4', '-x+y, -x, 1/4', 'y, x, 3/4', 'x-y, -y, 3/4', '-x, -x+y, 3/4'], ['x, 0, 0', '0, x, 0', '-x, -x, 0', 'x, 0, 1/2', '0, x, 1/2', '-x, -x, 1/2'], ['1/3, 2/3, z', '1/3, 2/3, -z+1/2', '2/3, 1/3, -z', '2/3, 1/3, z+1/2'], ['0, 0, z', '0, 0, -z+1/2', '0, 0, -z', '0, 0, z+1/2'], ['2/3, 1/3, 1/4', '1/3, 2/3, 3/4'], ['1/3, 2/3, 1/4', '2/3, 1/3, 3/4'], ['0, 0, 1/4', '0, 0, 3/4'], ['0, 0, 0', '0, 0, 1/2']]\"\n191,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, 1/2', '-y, x-y, 1/2', '-x+y, -x, 1/2', '-x, -y, 1/2', 'y, -x+y, 1/2', 'x-y, x, 1/2', 'y, x, 1/2', 'x-y, -y, 1/2', '-x, -x+y, 1/2', '-y, -x, 1/2', '-x+y, y, 1/2', 'x, x-y, 1/2'], ['x, y, 0', '-y, x-y, 0', '-x+y, -x, 0', '-x, -y, 0', 'y, -x+y, 0', 'x-y, x, 0', 'y, x, 0', 'x-y, -y, 0', '-x, -x+y, 0', '-y, -x, 0', '-x+y, y, 0', 'x, x-y, 0'], ['x, 2x, z', '-2x, -x, z', 'x, -x, z', '-x, -2x, z', '2x, x, z', '-x, x, z', '2x, x, -z', '-x, -2x, -z', '-x, x, -z', '-2x, -x, -z', 'x, 2x, -z', 'x, -x, -z'], ['x, 0, z', '0, x, z', '-x, -x, z', '-x, 0, z', '0, -x, z', 'x, x, z', '0, x, -z', 'x, 0, -z', '-x, -x, -z', '0, -x, -z', '-x, 0, -z', 'x, x, -z'], ['x, 2x, 1/2', '-2x, -x, 1/2', 'x, -x, 1/2', '-x, -2x, 1/2', '2x, x, 1/2', '-x, x, 1/2'], ['x, 2x, 0', '-2x, -x, 0', 'x, -x, 0', '-x, -2x, 0', '2x, x, 0', '-x, x, 0'], ['x, 0, 1/2', '0, x, 1/2', '-x, -x, 1/2', '-x, 0, 1/2', '0, -x, 1/2', 'x, x, 1/2'], ['x, 0, 0', '0, x, 0', '-x, -x, 0', '-x, 0, 0', '0, -x, 0', 'x, x, 0'], ['1/2, 0, z', '0, 1/2, z', '1/2, 1/2, z', '0, 1/2, -z', '1/2, 0, -z', '1/2, 1/2, -z'], ['1/3, 2/3, z', '2/3, 1/3, z', '2/3, 1/3, -z', '1/3, 2/3, -z'], ['1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 1/2'], ['1/2, 0, 0', '0, 1/2, 0', '1/2, 1/2, 0'], ['0, 0, z', '0, 0, -z'], ['1/3, 2/3, 1/2', '2/3, 1/3, 1/2'], ['1/3, 2/3, 0', '2/3, 1/3, 0'], ['0, 0, 1/2'], ['0, 0, 0']]\"\n192,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['x, y, 0', '-y, x-y, 0', '-x+y, -x, 0', '-x, -y, 0', 'y, -x+y, 0', 'x-y, x, 0', 'y, x, 1/2', 'x-y, -y, 1/2', '-x, -x+y, 1/2', '-y, -x, 1/2', '-x+y, y, 1/2', 'x, x-y, 1/2'], ['x, 2x, 1/4', '-2x, -x, 1/4', 'x, -x, 1/4', '-x, -2x, 1/4', '2x, x, 1/4', '-x, x, 1/4', '-x, -2x, 3/4', '2x, x, 3/4', '-x, x, 3/4', 'x, 2x, 3/4', '-2x, -x, 3/4', 'x, -x, 3/4'], ['x, 0, 1/4', '0, x, 1/4', '-x, -x, 1/4', '-x, 0, 1/4', '0, -x, 1/4', 'x, x, 1/4', '-x, 0, 3/4', '0, -x, 3/4', 'x, x, 3/4', 'x, 0, 3/4', '0, x, 3/4', '-x, -x, 3/4'], ['1/2, 0, z', '0, 1/2, z', '1/2, 1/2, z', '0, 1/2, -z+1/2', '1/2, 0, -z+1/2', '1/2, 1/2, -z+1/2', '1/2, 0, -z', '0, 1/2, -z', '1/2, 1/2, -z', '0, 1/2, z+1/2', '1/2, 0, z+1/2', '1/2, 1/2, z+1/2'], ['1/3, 2/3, z', '2/3, 1/3, z', '2/3, 1/3, -z+1/2', '1/3, 2/3, -z+1/2', '2/3, 1/3, -z', '1/3, 2/3, -z', '1/3, 2/3, z+1/2', '2/3, 1/3, z+1/2'], ['1/2, 0, 0', '0, 1/2, 0', '1/2, 1/2, 0', '0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 1/2'], ['1/2, 0, 1/4', '0, 1/2, 1/4', '1/2, 1/2, 1/4', '1/2, 0, 3/4', '0, 1/2, 3/4', '1/2, 1/2, 3/4'], ['0, 0, z', '0, 0, -z+1/2', '0, 0, -z', '0, 0, z+1/2'], ['1/3, 2/3, 0', '2/3, 1/3, 0', '2/3, 1/3, 1/2', '1/3, 2/3, 1/2'], ['1/3, 2/3, 1/4', '2/3, 1/3, 1/4', '2/3, 1/3, 3/4', '1/3, 2/3, 3/4'], ['0, 0, 0', '0, 0, 1/2'], ['0, 0, 1/4', '0, 0, 3/4']]\"\n193,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2', '-y, -x, z+1/2', '-x+y, y, z+1/2', 'x, x-y, z+1/2', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, 0, z', '0, x, z', '-x, -x, z', '-x, 0, z+1/2', '0, -x, z+1/2', 'x, x, z+1/2', '0, x, -z+1/2', 'x, 0, -z+1/2', '-x, -x, -z+1/2', '0, -x, -z', '-x, 0, -z', 'x, x, -z'], ['x, y, 1/4', '-y, x-y, 1/4', '-x+y, -x, 1/4', '-x, -y, 3/4', 'y, -x+y, 3/4', 'x-y, x, 3/4', 'y, x, 1/4', 'x-y, -y, 1/4', '-x, -x+y, 1/4', '-y, -x, 3/4', '-x+y, y, 3/4', 'x, x-y, 3/4'], ['x, 2x, 0', '-2x, -x, 0', 'x, -x, 0', '-x, -2x, 1/2', '2x, x, 1/2', '-x, x, 1/2', '-x, -2x, 0', '2x, x, 0', '-x, x, 0', 'x, 2x, 1/2', '-2x, -x, 1/2', 'x, -x, 1/2'], ['1/3, 2/3, z', '2/3, 1/3, z+1/2', '2/3, 1/3, -z+1/2', '1/3, 2/3, -z', '2/3, 1/3, -z', '1/3, 2/3, -z+1/2', '1/3, 2/3, z+1/2', '2/3, 1/3, z'], ['x, 0, 1/4', '0, x, 1/4', '-x, -x, 1/4', '-x, 0, 3/4', '0, -x, 3/4', 'x, x, 3/4'], ['1/2, 0, 0', '0, 1/2, 0', '1/2, 1/2, 0', '1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 1/2'], ['0, 0, z', '0, 0, z+1/2', '0, 0, -z+1/2', '0, 0, -z'], ['1/3, 2/3, 0', '2/3, 1/3, 1/2', '2/3, 1/3, 0', '1/3, 2/3, 1/2'], ['1/3, 2/3, 1/4', '2/3, 1/3, 3/4', '2/3, 1/3, 1/4', '1/3, 2/3, 3/4'], ['0, 0, 0', '0, 0, 1/2'], ['0, 0, 1/4', '0, 0, 3/4']]\"\n194,\"[['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z+1/2', 'y, -x+y, z+1/2', 'x-y, x, z+1/2', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z+1/2', 'x-y, -y, z+1/2', '-x, -x+y, z+1/2'], ['x, 2x, z', '-2x, -x, z', 'x, -x, z', '-x, -2x, z+1/2', '2x, x, z+1/2', '-x, x, z+1/2', '2x, x, -z', '-x, -2x, -z', '-x, x, -z', '-2x, -x, -z+1/2', 'x, 2x, -z+1/2', 'x, -x, -z+1/2'], ['x, y, 1/4', '-y, x-y, 1/4', '-x+y, -x, 1/4', '-x, -y, 3/4', 'y, -x+y, 3/4', 'x-y, x, 3/4', 'y, x, 3/4', 'x-y, -y, 3/4', '-x, -x+y, 3/4', '-y, -x, 1/4', '-x+y, y, 1/4', 'x, x-y, 1/4'], ['x, 0, 0', '0, x, 0', '-x, -x, 0', '-x, 0, 1/2', '0, -x, 1/2', 'x, x, 1/2', '-x, 0, 0', '0, -x, 0', 'x, x, 0', 'x, 0, 1/2', '0, x, 1/2', '-x, -x, 1/2'], ['x, 2x, 1/4', '-2x, -x, 1/4', 'x, -x, 1/4', '-x, -2x, 3/4', '2x, x, 3/4', '-x, x, 3/4'], ['1/2, 0, 0', '0, 1/2, 0', '1/2, 1/2, 0', '1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 1/2'], ['1/3, 2/3, z', '2/3, 1/3, z+1/2', '2/3, 1/3, -z', '1/3, 2/3, -z+1/2'], ['0, 0, z', '0, 0, z+1/2', '0, 0, -z', '0, 0, -z+1/2'], ['1/3, 2/3, 3/4', '2/3, 1/3, 1/4'], ['1/3, 2/3, 1/4', '2/3, 1/3, 3/4'], ['0, 0, 1/4', '0, 0, 3/4'], ['0, 0, 0', '0, 0, 1/2']]\"\n195,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x'], ['x, 1/2, 1/2', '-x, 1/2, 1/2', '1/2, x, 1/2', '1/2, -x, 1/2', '1/2, 1/2, x', '1/2, 1/2, -x'], ['x, 1/2, 0', '-x, 1/2, 0', '0, x, 1/2', '0, -x, 1/2', '1/2, 0, x', '1/2, 0, -x'], ['x, 0, 1/2', '-x, 0, 1/2', '1/2, x, 0', '1/2, -x, 0', '0, 1/2, x', '0, 1/2, -x'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', '0, 0, x', '0, 0, -x'], ['x, x, x', '-x, -x, x', '-x, x, -x', 'x, -x, -x'], ['1/2, 0, 0', '0, 1/2, 0', '0, 0, 1/2'], ['0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0'], ['1/2, 1/2, 1/2'], ['0, 0, 0']]\"\n196,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x+1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z, -x+1/2, y+1/2', '-z, x+1/2, -y+1/2', 'y, z+1/2, x+1/2', '-y, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y, -z+1/2, x+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'z+1/2, x, y+1/2', 'z+1/2, -x, -y+1/2', '-z+1/2, -x, y+1/2', '-z+1/2, x, -y+1/2', 'y+1/2, z, x+1/2', '-y+1/2, z, -x+1/2', 'y+1/2, -z, -x+1/2', '-y+1/2, -z, x+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'z+1/2, x+1/2, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x+1/2, y', '-z+1/2, x+1/2, -y', 'y+1/2, z+1/2, x', '-y+1/2, z+1/2, -x', 'y+1/2, -z+1/2, -x', '-y+1/2, -z+1/2, x'], ['x, 1/4, 1/4', '-x, 3/4, 1/4', '1/4, x, 1/4', '1/4, -x, 3/4', '1/4, 1/4, x', '3/4, 1/4, -x', 'x, 3/4, 3/4', '-x, 5/4, 3/4', '1/4, x+1/2, 3/4', '1/4, -x+1/2, 5/4', '1/4, 3/4, x+1/2', '3/4, 3/4, -x+1/2', 'x+1/2, 1/4, 3/4', '-x+1/2, 3/4, 3/4', '3/4, x, 3/4', '3/4, -x, 5/4', '3/4, 1/4, x+1/2', '5/4, 1/4, -x+1/2', 'x+1/2, 3/4, 1/4', '-x+1/2, 5/4, 1/4', '3/4, x+1/2, 1/4', '3/4, -x+1/2, 3/4', '3/4, 3/4, x', '5/4, 3/4, -x'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', '0, 0, x', '0, 0, -x', 'x, 1/2, 1/2', '-x, 1/2, 1/2', '0, x+1/2, 1/2', '0, -x+1/2, 1/2', '0, 1/2, x+1/2', '0, 1/2, -x+1/2', 'x+1/2, 0, 1/2', '-x+1/2, 0, 1/2', '1/2, x, 1/2', '1/2, -x, 1/2', '1/2, 0, x+1/2', '1/2, 0, -x+1/2', 'x+1/2, 1/2, 0', '-x+1/2, 1/2, 0', '1/2, x+1/2, 0', '1/2, -x+1/2, 0', '1/2, 1/2, x', '1/2, 1/2, -x'], ['x, x, x', '-x, -x, x', '-x, x, -x', 'x, -x, -x', 'x, x+1/2, x+1/2', '-x, -x+1/2, x+1/2', '-x, x+1/2, -x+1/2', 'x, -x+1/2, -x+1/2', 'x+1/2, x, x+1/2', '-x+1/2, -x, x+1/2', '-x+1/2, x, -x+1/2', 'x+1/2, -x, -x+1/2', 'x+1/2, x+1/2, x', '-x+1/2, -x+1/2, x', '-x+1/2, x+1/2, -x', 'x+1/2, -x+1/2, -x'], ['3/4, 3/4, 3/4', '3/4, 5/4, 5/4', '5/4, 3/4, 5/4', '5/4, 5/4, 3/4'], ['1/4, 1/4, 1/4', '1/4, 3/4, 3/4', '3/4, 1/4, 3/4', '3/4, 3/4, 1/4'], ['1/2, 1/2, 1/2', '1/2, 1, 1', '1, 1/2, 1', '1, 1, 1/2'], ['0, 0, 0', '0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0']]\"\n197,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y+1/2', '-z+1/2, x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x+1/2'], ['x, 1/2, 0', '-x, 1/2, 0', '0, x, 1/2', '0, -x, 1/2', '1/2, 0, x', '1/2, 0, -x', 'x+1/2, 1, 1/2', '-x+1/2, 1, 1/2', '1/2, x+1/2, 1', '1/2, -x+1/2, 1', '1, 1/2, x+1/2', '1, 1/2, -x+1/2'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', '0, 0, x', '0, 0, -x', 'x+1/2, 1/2, 1/2', '-x+1/2, 1/2, 1/2', '1/2, x+1/2, 1/2', '1/2, -x+1/2, 1/2', '1/2, 1/2, x+1/2', '1/2, 1/2, -x+1/2'], ['x, x, x', '-x, -x, x', '-x, x, -x', 'x, -x, -x', 'x+1/2, x+1/2, x+1/2', '-x+1/2, -x+1/2, x+1/2', '-x+1/2, x+1/2, -x+1/2', 'x+1/2, -x+1/2, -x+1/2'], ['0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0', '1/2, 1, 1', '1, 1/2, 1', '1, 1, 1/2'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n198,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2'], ['x, x, x', '-x+1/2, -x, x+1/2', '-x, x+1/2, -x+1/2', 'x+1/2, -x+1/2, -x']]\"\n199,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1, -x+1, -y+1/2', '-z+1, -x+1/2, y+1', '-z+1/2, x+1, -y+1', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1, -x+1', 'y+1, -z+1, -x+1/2', '-y+1, -z+1/2, x+1'], ['x, 0, 1/4', '-x+1/2, 0, 3/4', '1/4, x, 0', '3/4, -x+1/2, 0', '0, 1/4, x', '0, 3/4, -x+1/2', 'x+1/2, 1/2, 3/4', '-x+1, 1/2, 5/4', '3/4, x+1/2, 1/2', '5/4, -x+1, 1/2', '1/2, 3/4, x+1/2', '1/2, 5/4, -x+1'], ['x, x, x', '-x+1/2, -x, x+1/2', '-x, x+1/2, -x+1/2', 'x+1/2, -x+1/2, -x', 'x+1/2, x+1/2, x+1/2', '-x+1, -x+1/2, x+1', '-x+1/2, x+1, -x+1', 'x+1, -x+1, -x+1/2']]\"\n200,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', '-z, -x, -y', '-z, x, y', 'z, x, -y', 'z, -x, y', '-y, -z, -x', 'y, -z, x', '-y, z, x', 'y, z, -x'], ['1/2, y, z', '1/2, -y, z', '1/2, y, -z', '1/2, -y, -z', 'z, 1/2, y', 'z, 1/2, -y', '-z, 1/2, y', '-z, 1/2, -y', 'y, z, 1/2', '-y, z, 1/2', 'y, -z, 1/2', '-y, -z, 1/2'], ['0, y, z', '0, -y, z', '0, y, -z', '0, -y, -z', 'z, 0, y', 'z, 0, -y', '-z, 0, y', '-z, 0, -y', 'y, z, 0', '-y, z, 0', 'y, -z, 0', '-y, -z, 0'], ['x, x, x', '-x, -x, x', '-x, x, -x', 'x, -x, -x', '-x, -x, -x', 'x, x, -x', 'x, -x, x', '-x, x, x'], ['x, 1/2, 1/2', '-x, 1/2, 1/2', '1/2, x, 1/2', '1/2, -x, 1/2', '1/2, 1/2, x', '1/2, 1/2, -x'], ['x, 1/2, 0', '-x, 1/2, 0', '0, x, 1/2', '0, -x, 1/2', '1/2, 0, x', '1/2, 0, -x'], ['x, 0, 1/2', '-x, 0, 1/2', '1/2, x, 0', '1/2, -x, 0', '0, 1/2, x', '0, 1/2, -x'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', '0, 0, x', '0, 0, -x'], ['1/2, 0, 0', '0, 1/2, 0', '0, 0, 1/2'], ['0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0'], ['1/2, 1/2, 1/2'], ['0, 0, 0']]\"\n201,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x, y', 'z, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y', '-z+1/2, x, -y+1/2', 'y, z, x', '-y+1/2, z, -x+1/2', 'y, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y, z+1/2', '-x, y+1/2, z+1/2', '-z, -x, -y', '-z, x+1/2, y+1/2', 'z+1/2, x+1/2, -y', 'z+1/2, -x, y+1/2', '-y, -z, -x', 'y+1/2, -z, x+1/2', '-y, z+1/2, x+1/2', 'y+1/2, z+1/2, -x'], ['x, 3/4, 1/4', '-x+1/2, 3/4, 1/4', '1/4, x, 3/4', '1/4, -x+1/2, 3/4', '3/4, 1/4, x', '3/4, 1/4, -x+1/2', '-x, 1/4, 3/4', 'x+1/2, 1/4, 3/4', '3/4, -x, 1/4', '3/4, x+1/2, 1/4', '1/4, 3/4, -x', '1/4, 3/4, x+1/2'], ['x, 1/4, 1/4', '-x+1/2, 1/4, 1/4', '1/4, x, 1/4', '1/4, -x+1/2, 1/4', '1/4, 1/4, x', '1/4, 1/4, -x+1/2', '-x, 3/4, 3/4', 'x+1/2, 3/4, 3/4', '3/4, -x, 3/4', '3/4, x+1/2, 3/4', '3/4, 3/4, -x', '3/4, 3/4, x+1/2'], ['x, x, x', '-x+1/2, -x+1/2, x', '-x+1/2, x, -x+1/2', 'x, -x+1/2, -x+1/2', '-x, -x, -x', 'x+1/2, x+1/2, -x', 'x+1/2, -x, x+1/2', '-x, x+1/2, x+1/2'], ['1/4, 3/4, 3/4', '3/4, 1/4, 3/4', '3/4, 3/4, 1/4', '3/4, 1/4, 1/4', '1/4, 3/4, 1/4', '1/4, 1/4, 3/4'], ['1/2, 1/2, 1/2', '0, 0, 1/2', '0, 1/2, 0', '1/2, 0, 0'], ['0, 0, 0', '1/2, 1/2, 0', '1/2, 0, 1/2', '0, 1/2, 1/2'], ['1/4, 1/4, 1/4', '3/4, 3/4, 3/4']]\"\n202,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', '-z, -x, -y', '-z, x, y', 'z, x, -y', 'z, -x, y', '-y, -z, -x', 'y, -z, x', '-y, z, x', 'y, z, -x', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x+1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z, -x+1/2, y+1/2', '-z, x+1/2, -y+1/2', 'y, z+1/2, x+1/2', '-y, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y, -z+1/2, x+1/2', 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-x+1/2', '7/8, 11/8, x+5/4', 'x+1/2, 1/8, 5/8', '-x+3/4, 1/8, 5/8', '5/8, x, 5/8', '5/8, -x+1/4, 5/8', '5/8, 1/8, x+1/2', '5/8, 1/8, -x+3/4', '-x+1/2, 7/8, 11/8', 'x+5/4, 7/8, 11/8', '11/8, -x, 11/8', '11/8, x+3/4, 11/8', '11/8, 7/8, -x+1/2', '11/8, 7/8, x+5/4', 'x+1/2, 5/8, 1/8', '-x+3/4, 5/8, 1/8', '5/8, x+1/2, 1/8', '5/8, -x+3/4, 1/8', '5/8, 5/8, x', '5/8, 5/8, -x+1/4', '-x+1/2, 11/8, 7/8', 'x+5/4, 11/8, 7/8', '11/8, -x+1/2, 7/8', '11/8, x+5/4, 7/8', '11/8, 11/8, -x', '11/8, 11/8, x+3/4'], ['x, x, x', '-x+1/4, -x+1/4, x', '-x+1/4, x, -x+1/4', 'x, -x+1/4, -x+1/4', '-x, -x, -x', 'x+3/4, x+3/4, -x', 'x+3/4, -x, x+3/4', '-x, x+3/4, x+3/4', 'x, x+1/2, x+1/2', '-x+1/4, -x+3/4, x+1/2', '-x+1/4, x+1/2, -x+3/4', 'x, -x+3/4, -x+3/4', '-x, -x+1/2, -x+1/2', 'x+3/4, x+5/4, -x+1/2', 'x+3/4, -x+1/2, x+5/4', '-x, x+5/4, x+5/4', 'x+1/2, x, x+1/2', '-x+3/4, -x+1/4, x+1/2', '-x+3/4, x, -x+3/4', 'x+1/2, -x+1/4, -x+3/4', '-x+1/2, -x, -x+1/2', 'x+5/4, x+3/4, -x+1/2', 'x+5/4, -x, x+5/4', '-x+1/2, x+3/4, x+5/4', 'x+1/2, x+1/2, x', '-x+3/4, -x+3/4, x', '-x+3/4, x+1/2, -x+1/4', 'x+1/2, -x+3/4, -x+1/4', '-x+1/2, -x+1/2, -x', 'x+5/4, x+5/4, -x', 'x+5/4, -x+1/2, x+3/4', '-x+1/2, x+5/4, x+3/4'], ['1/2, 1/2, 1/2', '3/4, 3/4, 1/2', '3/4, 1/2, 3/4', '1/2, 3/4, 3/4', '1/2, 1, 1', '3/4, 5/4, 1', '3/4, 1, 5/4', '1/2, 5/4, 5/4', '1, 1/2, 1', '5/4, 3/4, 1', '5/4, 1/2, 5/4', '1, 3/4, 5/4', '1, 1, 1/2', '5/4, 5/4, 1/2', '5/4, 1, 3/4', '1, 5/4, 3/4'], ['0, 0, 0', '1/4, 1/4, 0', '1/4, 0, 1/4', '0, 1/4, 1/4', '0, 1/2, 1/2', '1/4, 3/4, 1/2', '1/4, 1/2, 3/4', '0, 3/4, 3/4', '1/2, 0, 1/2', '3/4, 1/4, 1/2', '3/4, 0, 3/4', '1/2, 1/4, 3/4', '1/2, 1/2, 0', '3/4, 3/4, 0', '3/4, 1/2, 1/4', '1/2, 3/4, 1/4'], ['5/8, 5/8, 5/8', '3/8, 3/8, 3/8', '5/8, 9/8, 9/8', '3/8, 7/8, 7/8', '9/8, 5/8, 9/8', '7/8, 3/8, 7/8', '9/8, 9/8, 5/8', '7/8, 7/8, 3/8'], ['1/8, 1/8, 1/8', '7/8, 7/8, 7/8', '1/8, 5/8, 5/8', '7/8, 11/8, 11/8', '5/8, 1/8, 5/8', '11/8, 7/8, 11/8', '5/8, 5/8, 1/8', '11/8, 11/8, 7/8']]\"\n204,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', '-z, -x, -y', '-z, x, y', 'z, x, -y', 'z, -x, y', '-y, -z, -x', 'y, -z, x', '-y, z, x', 'y, z, -x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y+1/2', '-z+1/2, x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, z+1/2', '-z+1/2, -x+1/2, -y+1/2', '-z+1/2, x+1/2, y+1/2', 'z+1/2, x+1/2, -y+1/2', 'z+1/2, -x+1/2, y+1/2', '-y+1/2, -z+1/2, -x+1/2', 'y+1/2, -z+1/2, x+1/2', '-y+1/2, z+1/2, x+1/2', 'y+1/2, z+1/2, -x+1/2'], ['0, y, z', '0, -y, z', '0, y, -z', '0, -y, -z', 'z, 0, y', 'z, 0, -y', '-z, 0, y', '-z, 0, -y', 'y, z, 0', '-y, z, 0', 'y, -z, 0', '-y, -z, 0', '1/2, y+1/2, z+1/2', '1/2, -y+1/2, z+1/2', '1/2, y+1/2, -z+1/2', '1/2, -y+1/2, -z+1/2', 'z+1/2, 1/2, y+1/2', 'z+1/2, 1/2, -y+1/2', '-z+1/2, 1/2, y+1/2', '-z+1/2, 1/2, -y+1/2', 'y+1/2, z+1/2, 1/2', '-y+1/2, z+1/2, 1/2', 'y+1/2, -z+1/2, 1/2', '-y+1/2, -z+1/2, 1/2'], ['x, x, x', '-x, -x, x', '-x, x, -x', 'x, -x, -x', '-x, -x, -x', 'x, x, -x', 'x, -x, x', '-x, x, x', 'x+1/2, x+1/2, x+1/2', '-x+1/2, -x+1/2, x+1/2', '-x+1/2, x+1/2, -x+1/2', 'x+1/2, -x+1/2, -x+1/2', '-x+1/2, -x+1/2, -x+1/2', 'x+1/2, x+1/2, -x+1/2', 'x+1/2, -x+1/2, x+1/2', '-x+1/2, x+1/2, x+1/2'], ['x, 0, 1/2', '-x, 0, 1/2', '1/2, x, 0', '1/2, -x, 0', '0, 1/2, x', '0, 1/2, -x', 'x+1/2, 1/2, 1', '-x+1/2, 1/2, 1', '1, x+1/2, 1/2', '1, -x+1/2, 1/2', '1/2, 1, x+1/2', '1/2, 1, -x+1/2'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', '0, 0, x', '0, 0, -x', 'x+1/2, 1/2, 1/2', '-x+1/2, 1/2, 1/2', '1/2, x+1/2, 1/2', '1/2, -x+1/2, 1/2', '1/2, 1/2, x+1/2', '1/2, 1/2, -x+1/2'], ['1/4, 1/4, 1/4', '3/4, 3/4, 1/4', '3/4, 1/4, 3/4', '1/4, 3/4, 3/4', '3/4, 3/4, 3/4', '5/4, 5/4, 3/4', '5/4, 3/4, 5/4', '3/4, 5/4, 5/4'], ['0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0', '1/2, 1, 1', '1, 1/2, 1', '1, 1, 1/2'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n205,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z', '-z, -x, -y', '-z+1/2, x+1/2, y', 'z+1/2, x, -y+1/2', 'z, -x+1/2, y+1/2', '-y, -z, -x', 'y, -z+1/2, x+1/2', '-y+1/2, z+1/2, x', 'y+1/2, z, -x+1/2'], ['x, x, x', '-x+1/2, -x, x+1/2', '-x, x+1/2, -x+1/2', 'x+1/2, -x+1/2, -x', '-x, -x, -x', 'x+1/2, x, -x+1/2', 'x, -x+1/2, x+1/2', '-x+1/2, x+1/2, x'], ['1/2, 1/2, 1/2', '0, 1/2, 0', '1/2, 0, 0', '0, 0, 1/2'], ['0, 0, 0', '1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 0']]\"\n206,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', '-x, -y, -z', 'x+1/2, y, -z+1/2', 'x, -y+1/2, z+1/2', '-x+1/2, y+1/2, z', '-z, -x, -y', '-z+1/2, x+1/2, y', 'z+1/2, x, -y+1/2', 'z, -x+1/2, y+1/2', '-y, -z, -x', 'y, -z+1/2, x+1/2', '-y+1/2, z+1/2, x', 'y+1/2, z, -x+1/2', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1, -x+1, -y+1/2', '-z+1, -x+1/2, y+1', '-z+1/2, x+1, -y+1', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1, -x+1', 'y+1, -z+1, -x+1/2', '-y+1, -z+1/2, x+1', '-x+1/2, -y+1/2, -z+1/2', 'x+1, y+1/2, -z+1', 'x+1/2, -y+1, z+1', '-x+1, y+1, z+1/2', '-z+1/2, -x+1/2, -y+1/2', '-z+1, x+1, y+1/2', 'z+1, x+1/2, -y+1', 'z+1/2, -x+1, y+1', '-y+1/2, -z+1/2, -x+1/2', 'y+1/2, -z+1, x+1', '-y+1, z+1, x+1/2', 'y+1, z+1/2, -x+1'], ['x, 0, 1/4', '-x+1/2, 0, 3/4', '1/4, x, 0', '3/4, -x+1/2, 0', '0, 1/4, x', '0, 3/4, -x+1/2', '-x, 0, 3/4', 'x+1/2, 0, 1/4', '3/4, -x, 0', '1/4, x+1/2, 0', '0, 3/4, -x', '0, 1/4, x+1/2', 'x+1/2, 1/2, 3/4', '-x+1, 1/2, 5/4', '3/4, x+1/2, 1/2', '5/4, -x+1, 1/2', '1/2, 3/4, x+1/2', '1/2, 5/4, -x+1', '-x+1/2, 1/2, 5/4', 'x+1, 1/2, 3/4', '5/4, -x+1/2, 1/2', '3/4, x+1, 1/2', '1/2, 5/4, -x+1/2', '1/2, 3/4, x+1'], ['x, x, x', '-x+1/2, -x, x+1/2', '-x, x+1/2, -x+1/2', 'x+1/2, -x+1/2, -x', '-x, -x, -x', 'x+1/2, x, -x+1/2', 'x, -x+1/2, x+1/2', '-x+1/2, x+1/2, x', 'x+1/2, x+1/2, x+1/2', '-x+1, -x+1/2, x+1', '-x+1/2, x+1, -x+1', 'x+1, -x+1, -x+1/2', '-x+1/2, -x+1/2, -x+1/2', 'x+1, x+1/2, -x+1', 'x+1/2, -x+1, x+1', '-x+1, x+1, x+1/2'], ['1/4, 1/4, 1/4', '1/4, 3/4, 3/4', '3/4, 3/4, 1/4', '3/4, 1/4, 3/4', '3/4, 3/4, 3/4', '3/4, 5/4, 5/4', '5/4, 5/4, 3/4', '5/4, 3/4, 5/4'], ['0, 0, 0', '1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 0', '1/2, 1/2, 1/2', '1, 1/2, 1', '1/2, 1, 1', '1, 1, 1/2']]\"\n207,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z', 'x, z, -y', '-x, z, y', '-x, -z, -y', 'x, -z, y', 'z, y, -x', 'z, -y, x', '-z, y, x', '-z, -y, -x'], ['1/2, y, y', '1/2, -y, y', '1/2, y, -y', '1/2, -y, -y', 'y, 1/2, y', 'y, 1/2, -y', '-y, 1/2, y', '-y, 1/2, -y', 'y, y, 1/2', '-y, y, 1/2', 'y, -y, 1/2', '-y, -y, 1/2'], ['0, y, y', '0, -y, y', '0, y, -y', '0, -y, -y', 'y, 0, y', 'y, 0, -y', '-y, 0, y', '-y, 0, -y', 'y, y, 0', '-y, y, 0', 'y, -y, 0', '-y, -y, 0'], ['x, 1/2, 0', '-x, 1/2, 0', '0, x, 1/2', '0, -x, 1/2', '1/2, 0, x', '1/2, 0, -x', '1/2, x, 0', '1/2, -x, 0', 'x, 0, 1/2', '-x, 0, 1/2', '0, 1/2, -x', '0, 1/2, x'], ['x, x, x', '-x, -x, x', '-x, x, -x', 'x, -x, -x', 'x, x, -x', '-x, -x, -x', 'x, -x, x', '-x, x, x'], ['x, 1/2, 1/2', '-x, 1/2, 1/2', '1/2, x, 1/2', '1/2, -x, 1/2', '1/2, 1/2, x', '1/2, 1/2, -x'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', '0, 0, x', '0, 0, -x'], ['1/2, 0, 0', '0, 1/2, 0', '0, 0, 1/2'], ['0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0'], ['1/2, 1/2, 1/2'], ['0, 0, 0']]\"\n208,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', 'y+1/2, -x+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'x+1/2, z+1/2, -y+1/2', '-x+1/2, z+1/2, y+1/2', '-x+1/2, -z+1/2, -y+1/2', 'x+1/2, -z+1/2, y+1/2', 'z+1/2, y+1/2, -x+1/2', 'z+1/2, -y+1/2, x+1/2', '-z+1/2, y+1/2, x+1/2', '-z+1/2, -y+1/2, -x+1/2'], ['1/4, y, y+1/2', '3/4, -y, y+1/2', '3/4, y, -y+1/2', '1/4, -y, -y+1/2', 'y+1/2, 1/4, y', 'y+1/2, 3/4, -y', '-y+1/2, 3/4, y', '-y+1/2, 1/4, -y', 'y, y+1/2, 1/4', '-y, y+1/2, 3/4', 'y, -y+1/2, 3/4', '-y, -y+1/2, 1/4'], ['1/4, y, -y+1/2', '3/4, -y, -y+1/2', '3/4, y, y+1/2', '1/4, -y, y+1/2', '-y+1/2, 1/4, y', '-y+1/2, 3/4, -y', 'y+1/2, 3/4, y', 'y+1/2, 1/4, -y', 'y, -y+1/2, 1/4', '-y, -y+1/2, 3/4', 'y, y+1/2, 3/4', '-y, y+1/2, 1/4'], ['x, 1/2, 0', '-x, 1/2, 0', '0, x, 1/2', '0, -x, 1/2', '1/2, 0, x', '1/2, 0, -x', '0, x+1/2, 1/2', '0, -x+1/2, 1/2', 'x+1/2, 1/2, 0', '-x+1/2, 1/2, 0', '1/2, 0, -x+1/2', '1/2, 0, x+1/2'], ['x, 0, 1/2', '-x, 0, 1/2', '1/2, x, 0', '1/2, -x, 0', '0, 1/2, x', '0, 1/2, -x', '1/2, x+1/2, 0', '1/2, -x+1/2, 0', 'x+1/2, 0, 1/2', '-x+1/2, 0, 1/2', '0, 1/2, -x+1/2', '0, 1/2, x+1/2'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', '0, 0, x', '0, 0, -x', '1/2, x+1/2, 1/2', '1/2, -x+1/2, 1/2', 'x+1/2, 1/2, 1/2', '-x+1/2, 1/2, 1/2', '1/2, 1/2, -x+1/2', '1/2, 1/2, x+1/2'], ['x, x, x', '-x, -x, x', '-x, x, -x', 'x, -x, -x', 'x+1/2, x+1/2, -x+1/2', '-x+1/2, -x+1/2, -x+1/2', 'x+1/2, -x+1/2, x+1/2', '-x+1/2, x+1/2, x+1/2'], ['1/4, 1/2, 0', '3/4, 1/2, 0', '0, 1/4, 1/2', '0, 3/4, 1/2', '1/2, 0, 1/4', '1/2, 0, 3/4'], ['1/4, 0, 1/2', '3/4, 0, 1/2', '1/2, 1/4, 0', '1/2, 3/4, 0', '0, 1/2, 1/4', '0, 1/2, 3/4'], ['0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0', '0, 1/2, 0', '1/2, 0, 0', '0, 0, 1/2'], ['3/4, 3/4, 3/4', '1/4, 1/4, 3/4', '1/4, 3/4, 1/4', '3/4, 1/4, 1/4'], ['1/4, 1/4, 1/4', '3/4, 3/4, 1/4', '3/4, 1/4, 3/4', '1/4, 3/4, 3/4'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n209,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z', 'x, z, -y', '-x, z, y', '-x, -z, -y', 'x, -z, y', 'z, y, -x', 'z, -y, x', '-z, y, x', '-z, -y, -x', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x+1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z, -x+1/2, y+1/2', '-z, x+1/2, -y+1/2', 'y, z+1/2, x+1/2', '-y, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y, -z+1/2, x+1/2', 'y, x+1/2, -z+1/2', '-y, -x+1/2, -z+1/2', 'y, -x+1/2, z+1/2', '-y, x+1/2, z+1/2', 'x, z+1/2, -y+1/2', '-x, z+1/2, y+1/2', '-x, -z+1/2, -y+1/2', 'x, -z+1/2, y+1/2', 'z, y+1/2, -x+1/2', 'z, -y+1/2, x+1/2', '-z, y+1/2, x+1/2', '-z, -y+1/2, -x+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'z+1/2, x, y+1/2', 'z+1/2, -x, -y+1/2', '-z+1/2, -x, y+1/2', '-z+1/2, x, -y+1/2', 'y+1/2, z, x+1/2', '-y+1/2, z, -x+1/2', 'y+1/2, -z, -x+1/2', '-y+1/2, -z, x+1/2', 'y+1/2, x, -z+1/2', '-y+1/2, -x, -z+1/2', 'y+1/2, -x, z+1/2', '-y+1/2, x, z+1/2', 'x+1/2, z, -y+1/2', '-x+1/2, z, y+1/2', '-x+1/2, -z, -y+1/2', 'x+1/2, -z, y+1/2', 'z+1/2, y, -x+1/2', 'z+1/2, -y, x+1/2', '-z+1/2, y, x+1/2', '-z+1/2, -y, -x+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'z+1/2, x+1/2, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x+1/2, y', '-z+1/2, x+1/2, -y', 'y+1/2, z+1/2, x', '-y+1/2, z+1/2, -x', 'y+1/2, -z+1/2, -x', '-y+1/2, -z+1/2, x', 'y+1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z', 'y+1/2, -x+1/2, z', '-y+1/2, x+1/2, z', 'x+1/2, z+1/2, -y', '-x+1/2, z+1/2, y', '-x+1/2, -z+1/2, -y', 'x+1/2, -z+1/2, y', 'z+1/2, y+1/2, -x', 'z+1/2, -y+1/2, x', '-z+1/2, y+1/2, x', '-z+1/2, -y+1/2, -x'], ['x, 1/4, 1/4', '-x, 3/4, 1/4', '1/4, x, 1/4', '1/4, -x, 3/4', '1/4, 1/4, x', '3/4, 1/4, -x', '1/4, x, 3/4', '3/4, -x, 3/4', 'x, 1/4, 3/4', '-x, 1/4, 1/4', '1/4, 1/4, -x', '1/4, 3/4, x', 'x, 3/4, 3/4', '-x, 5/4, 3/4', '1/4, x+1/2, 3/4', '1/4, -x+1/2, 5/4', '1/4, 3/4, x+1/2', '3/4, 3/4, -x+1/2', '1/4, x+1/2, 5/4', '3/4, -x+1/2, 5/4', 'x, 3/4, 5/4', '-x, 3/4, 3/4', '1/4, 3/4, -x+1/2', '1/4, 5/4, x+1/2', 'x+1/2, 1/4, 3/4', '-x+1/2, 3/4, 3/4', '3/4, x, 3/4', '3/4, -x, 5/4', '3/4, 1/4, x+1/2', '5/4, 1/4, -x+1/2', '3/4, x, 5/4', '5/4, -x, 5/4', 'x+1/2, 1/4, 5/4', '-x+1/2, 1/4, 3/4', '3/4, 1/4, -x+1/2', '3/4, 3/4, x+1/2', 'x+1/2, 3/4, 1/4', '-x+1/2, 5/4, 1/4', '3/4, x+1/2, 1/4', '3/4, -x+1/2, 3/4', '3/4, 3/4, x', '5/4, 3/4, -x', '3/4, x+1/2, 3/4', '5/4, -x+1/2, 3/4', 'x+1/2, 3/4, 3/4', '-x+1/2, 3/4, 1/4', '3/4, 3/4, -x', '3/4, 5/4, x'], ['1/2, y, y', '1/2, -y, y', '1/2, y, -y', '1/2, -y, -y', 'y, 1/2, y', 'y, 1/2, -y', '-y, 1/2, y', '-y, 1/2, -y', 'y, y, 1/2', '-y, y, 1/2', 'y, -y, 1/2', '-y, -y, 1/2', '1/2, y+1/2, y+1/2', '1/2, -y+1/2, y+1/2', '1/2, y+1/2, 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x+1/2, x'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', '0, 0, x', '0, 0, -x', 'x, 1/2, 1/2', '-x, 1/2, 1/2', '0, x+1/2, 1/2', '0, -x+1/2, 1/2', '0, 1/2, x+1/2', '0, 1/2, -x+1/2', 'x+1/2, 0, 1/2', '-x+1/2, 0, 1/2', '1/2, x, 1/2', '1/2, -x, 1/2', '1/2, 0, x+1/2', '1/2, 0, -x+1/2', 'x+1/2, 1/2, 0', '-x+1/2, 1/2, 0', '1/2, x+1/2, 0', '1/2, -x+1/2, 0', '1/2, 1/2, x', '1/2, 1/2, -x'], ['0, 1/4, 1/4', '0, 3/4, 1/4', '1/4, 0, 1/4', '1/4, 0, 3/4', '1/4, 1/4, 0', '3/4, 1/4, 0', '0, 3/4, 3/4', '0, 5/4, 3/4', '1/4, 1/2, 3/4', '1/4, 1/2, 5/4', '1/4, 3/4, 1/2', '3/4, 3/4, 1/2', '1/2, 1/4, 3/4', '1/2, 3/4, 3/4', '3/4, 0, 3/4', '3/4, 0, 5/4', '3/4, 1/4, 1/2', '5/4, 1/4, 1/2', '1/2, 3/4, 1/4', '1/2, 5/4, 1/4', '3/4, 1/2, 1/4', '3/4, 1/2, 3/4', '3/4, 3/4, 0', '5/4, 3/4, 0'], ['1/4, 1/4, 1/4', '1/4, 1/4, 3/4', '1/4, 3/4, 3/4', '1/4, 3/4, 5/4', '3/4, 1/4, 3/4', '3/4, 1/4, 5/4', '3/4, 3/4, 1/4', '3/4, 3/4, 3/4'], ['1/2, 1/2, 1/2', '1/2, 1, 1', '1, 1/2, 1', '1, 1, 1/2'], ['0, 0, 0', '0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0']]\"\n210,\"[['x, y, z', '-x, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z', 'x+1/2, -y, -z+1/2', 'z, x, y', 'z+1/2, -x, -y+1/2', '-z, -x+1/2, y+1/2', '-z+1/2, x+1/2, -y', 'y, z, x', '-y+1/2, z+1/2, -x', 'y+1/2, -z, -x+1/2', '-y, -z+1/2, x+1/2', 'y+3/4, x+1/4, -z+3/4', '-y+1/4, -x+1/4, -z+1/4', 'y+1/4, -x+3/4, z+3/4', '-y+3/4, x+3/4, z+1/4', 'x+3/4, z+1/4, -y+3/4', '-x+3/4, z+3/4, y+1/4', '-x+1/4, -z+1/4, -y+1/4', 'x+1/4, -z+3/4, y+3/4', 'z+3/4, y+1/4, -x+3/4', 'z+1/4, -y+3/4, x+3/4', '-z+3/4, y+3/4, x+1/4', '-z+1/4, -y+1/4, -x+1/4', 'x, y+1/2, z+1/2', '-x, -y+1, z+1', '-x+1/2, y+1, -z+1/2', 'x+1/2, -y+1/2, -z+1', 'z, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1', '-z, -x+1, y+1', '-z+1/2, x+1, -y+1/2', 'y, z+1/2, x+1/2', '-y+1/2, z+1, -x+1/2', 'y+1/2, -z+1/2, -x+1', '-y, -z+1, x+1', 'y+3/4, x+3/4, -z+5/4', '-y+1/4, -x+3/4, -z+3/4', 'y+1/4, -x+5/4, z+5/4', '-y+3/4, x+5/4, z+3/4', 'x+3/4, z+3/4, -y+5/4', '-x+3/4, z+5/4, y+3/4', '-x+1/4, -z+3/4, -y+3/4', 'x+1/4, -z+5/4, y+5/4', 'z+3/4, y+3/4, -x+5/4', 'z+1/4, -y+5/4, x+5/4', '-z+3/4, y+5/4, x+3/4', '-z+1/4, -y+3/4, -x+3/4', 'x+1/2, y, z+1/2', '-x+1/2, -y+1/2, z+1', '-x+1, y+1/2, -z+1/2', 'x+1, -y, -z+1', 'z+1/2, x, y+1/2', 'z+1, -x, -y+1', '-z+1/2, -x+1/2, y+1', '-z+1, x+1/2, -y+1/2', 'y+1/2, z, x+1/2', '-y+1, z+1/2, -x+1/2', 'y+1, -z, -x+1', '-y+1/2, -z+1/2, x+1', 'y+5/4, x+1/4, -z+5/4', '-y+3/4, -x+1/4, -z+3/4', 'y+3/4, -x+3/4, z+5/4', '-y+5/4, x+3/4, z+3/4', 'x+5/4, z+1/4, -y+5/4', '-x+5/4, z+3/4, y+3/4', '-x+3/4, -z+1/4, -y+3/4', 'x+3/4, -z+3/4, y+5/4', 'z+5/4, y+1/4, -x+5/4', 'z+3/4, -y+3/4, x+5/4', '-z+5/4, y+3/4, x+3/4', '-z+3/4, -y+1/4, -x+3/4', 'x+1/2, y+1/2, z', '-x+1/2, -y+1, z+1/2', '-x+1, y+1, -z', 'x+1, -y+1/2, -z+1/2', 'z+1/2, x+1/2, y', 'z+1, -x+1/2, -y+1/2', '-z+1/2, -x+1, y+1/2', '-z+1, x+1, -y', 'y+1/2, z+1/2, x', '-y+1, z+1, -x', 'y+1, -z+1/2, -x+1/2', '-y+1/2, -z+1, x+1/2', 'y+5/4, x+3/4, -z+3/4', '-y+3/4, -x+3/4, -z+1/4', 'y+3/4, -x+5/4, z+3/4', '-y+5/4, x+5/4, z+1/4', 'x+5/4, z+3/4, -y+3/4', '-x+5/4, z+5/4, y+1/4', '-x+3/4, -z+3/4, -y+1/4', 'x+3/4, -z+5/4, y+3/4', 'z+5/4, y+3/4, -x+3/4', 'z+3/4, -y+5/4, x+3/4', '-z+5/4, y+5/4, x+1/4', '-z+3/4, -y+3/4, -x+1/4'], ['1/8, y, -y+1/4', '7/8, -y+1/2, -y+3/4', '3/8, y+1/2, y+3/4', '5/8, -y, y+1/4', '-y+1/4, 1/8, y', '-y+3/4, 7/8, -y+1/2', 'y+3/4, 3/8, y+1/2', 'y+1/4, 5/8, -y', 'y, -y+1/4, 1/8', '-y+1/2, -y+3/4, 7/8', 'y+1/2, y+3/4, 3/8', '-y, y+1/4, 5/8', '1/8, y+1/2, -y+3/4', '7/8, -y+1, -y+5/4', '3/8, y+1, y+5/4', '5/8, -y+1/2, y+3/4', '-y+1/4, 5/8, y+1/2', '-y+3/4, 11/8, -y+1', 'y+3/4, 7/8, y+1', 'y+1/4, 9/8, -y+1/2', 'y, -y+3/4, 5/8', '-y+1/2, -y+5/4, 11/8', 'y+1/2, y+5/4, 7/8', '-y, y+3/4, 9/8', '5/8, y, -y+3/4', '11/8, -y+1/2, -y+5/4', '7/8, y+1/2, y+5/4', '9/8, -y, y+3/4', '-y+3/4, 1/8, y+1/2', '-y+5/4, 7/8, -y+1', 'y+5/4, 3/8, y+1', 'y+3/4, 5/8, -y+1/2', 'y+1/2, -y+1/4, 5/8', '-y+1, -y+3/4, 11/8', 'y+1, y+3/4, 7/8', '-y+1/2, y+1/4, 9/8', '5/8, y+1/2, -y+1/4', '11/8, -y+1, -y+3/4', '7/8, y+1, y+3/4', '9/8, -y+1/2, y+1/4', '-y+3/4, 5/8, y', '-y+5/4, 11/8, -y+1/2', 'y+5/4, 7/8, y+1/2', 'y+3/4, 9/8, -y', 'y+1/2, -y+3/4, 1/8', '-y+1, -y+5/4, 7/8', 'y+1, y+5/4, 3/8', '-y+1/2, y+3/4, 5/8'], ['x, 0, 0', '-x, 1/2, 1/2', '0, x, 0', '1/2, -x, 1/2', '0, 0, x', '1/2, 1/2, -x', '3/4, x+1/4, 3/4', '1/4, -x+1/4, 1/4', 'x+3/4, 1/4, 3/4', '-x+3/4, 3/4, 1/4', '3/4, 1/4, -x+3/4', '1/4, 3/4, x+3/4', 'x, 1/2, 1/2', '-x, 1, 1', '0, x+1/2, 1/2', '1/2, -x+1/2, 1', '0, 1/2, x+1/2', '1/2, 1, -x+1/2', '3/4, x+3/4, 5/4', '1/4, -x+3/4, 3/4', 'x+3/4, 3/4, 5/4', '-x+3/4, 5/4, 3/4', '3/4, 3/4, -x+5/4', '1/4, 5/4, x+5/4', 'x+1/2, 0, 1/2', '-x+1/2, 1/2, 1', '1/2, x, 1/2', '1, -x, 1', '1/2, 0, x+1/2', '1, 1/2, -x+1/2', '5/4, x+1/4, 5/4', '3/4, -x+1/4, 3/4', 'x+5/4, 1/4, 5/4', '-x+5/4, 3/4, 3/4', '5/4, 1/4, -x+5/4', '3/4, 3/4, x+5/4', 'x+1/2, 1/2, 0', '-x+1/2, 1, 1/2', '1/2, x+1/2, 0', '1, -x+1/2, 1/2', '1/2, 1/2, x', '1, 1, -x', '5/4, x+3/4, 3/4', '3/4, -x+3/4, 1/4', 'x+5/4, 3/4, 3/4', '-x+5/4, 5/4, 1/4', '5/4, 3/4, -x+3/4', '3/4, 5/4, x+3/4'], ['x, x, x', '-x, -x+1/2, x+1/2', '-x+1/2, x+1/2, -x', 'x+1/2, -x, -x+1/2', 'x+3/4, x+1/4, -x+3/4', '-x+1/4, -x+1/4, -x+1/4', 'x+1/4, -x+3/4, x+3/4', '-x+3/4, x+3/4, x+1/4', 'x, x+1/2, x+1/2', '-x, -x+1, x+1', '-x+1/2, x+1, -x+1/2', 'x+1/2, -x+1/2, -x+1', 'x+3/4, x+3/4, -x+5/4', '-x+1/4, -x+3/4, -x+3/4', 'x+1/4, -x+5/4, x+5/4', '-x+3/4, x+5/4, x+3/4', 'x+1/2, x, x+1/2', '-x+1/2, -x+1/2, x+1', '-x+1, x+1/2, -x+1/2', 'x+1, -x, -x+1', 'x+5/4, x+1/4, -x+5/4', '-x+3/4, -x+1/4, -x+3/4', 'x+3/4, -x+3/4, x+5/4', '-x+5/4, x+3/4, x+3/4', 'x+1/2, x+1/2, x', '-x+1/2, -x+1, x+1/2', '-x+1, x+1, -x', 'x+1, -x+1/2, -x+1/2', 'x+5/4, x+3/4, -x+3/4', '-x+3/4, -x+3/4, -x+1/4', 'x+3/4, -x+5/4, x+3/4', '-x+5/4, x+5/4, x+1/4'], ['5/8, 5/8, 5/8', '3/8, 7/8, 1/8', '7/8, 1/8, 3/8', '1/8, 3/8, 7/8', '5/8, 9/8, 9/8', '3/8, 11/8, 5/8', '7/8, 5/8, 7/8', '1/8, 7/8, 11/8', '9/8, 5/8, 9/8', '7/8, 7/8, 5/8', '11/8, 1/8, 7/8', '5/8, 3/8, 11/8', '9/8, 9/8, 5/8', '7/8, 11/8, 1/8', '11/8, 5/8, 3/8', '5/8, 7/8, 7/8'], ['1/8, 1/8, 1/8', '7/8, 3/8, 5/8', '3/8, 5/8, 7/8', '5/8, 7/8, 3/8', '1/8, 5/8, 5/8', '7/8, 7/8, 9/8', '3/8, 9/8, 11/8', '5/8, 11/8, 7/8', '5/8, 1/8, 5/8', '11/8, 3/8, 9/8', '7/8, 5/8, 11/8', '9/8, 7/8, 7/8', '5/8, 5/8, 1/8', '11/8, 7/8, 5/8', '7/8, 9/8, 7/8', '9/8, 11/8, 3/8'], ['1/2, 1/2, 1/2', '1/4, 3/4, 1/4', '1/2, 1, 1', '1/4, 5/4, 3/4', '1, 1/2, 1', '3/4, 3/4, 3/4', '1, 1, 1/2', '3/4, 5/4, 1/4'], ['0, 0, 0', '3/4, 1/4, 3/4', '0, 1/2, 1/2', '3/4, 3/4, 5/4', '1/2, 0, 1/2', '5/4, 1/4, 5/4', '1/2, 1/2, 0', '5/4, 3/4, 3/4']]\"\n211,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z', 'x, z, -y', '-x, z, y', '-x, -z, -y', 'x, -z, y', 'z, y, -x', 'z, -y, x', '-z, y, x', '-z, -y, -x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y+1/2', '-z+1/2, x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x+1/2', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', 'y+1/2, -x+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'x+1/2, z+1/2, -y+1/2', '-x+1/2, z+1/2, y+1/2', '-x+1/2, -z+1/2, -y+1/2', 'x+1/2, -z+1/2, y+1/2', 'z+1/2, y+1/2, -x+1/2', 'z+1/2, -y+1/2, x+1/2', '-z+1/2, y+1/2, x+1/2', '-z+1/2, -y+1/2, -x+1/2'], ['1/4, y, -y+1/2', '3/4, -y, -y+1/2', '3/4, y, y+1/2', '1/4, -y, y+1/2', '-y+1/2, 1/4, y', '-y+1/2, 3/4, -y', 'y+1/2, 3/4, y', 'y+1/2, 1/4, -y', 'y, -y+1/2, 1/4', '-y, -y+1/2, 3/4', 'y, y+1/2, 3/4', '-y, y+1/2, 1/4', '3/4, y+1/2, -y+1', '5/4, -y+1/2, -y+1', '5/4, y+1/2, y+1', '3/4, -y+1/2, y+1', '-y+1, 3/4, y+1/2', '-y+1, 5/4, -y+1/2', 'y+1, 5/4, y+1/2', 'y+1, 3/4, -y+1/2', 'y+1/2, -y+1, 3/4', '-y+1/2, -y+1, 5/4', 'y+1/2, y+1, 5/4', '-y+1/2, y+1, 3/4'], ['0, y, y', '0, -y, y', '0, y, -y', '0, -y, -y', 'y, 0, y', 'y, 0, -y', '-y, 0, y', '-y, 0, -y', 'y, y, 0', '-y, y, 0', 'y, -y, 0', '-y, -y, 0', '1/2, y+1/2, y+1/2', '1/2, -y+1/2, y+1/2', '1/2, y+1/2, -y+1/2', '1/2, -y+1/2, -y+1/2', 'y+1/2, 1/2, y+1/2', 'y+1/2, 1/2, -y+1/2', '-y+1/2, 1/2, y+1/2', '-y+1/2, 1/2, -y+1/2', 'y+1/2, y+1/2, 1/2', '-y+1/2, y+1/2, 1/2', 'y+1/2, -y+1/2, 1/2', '-y+1/2, -y+1/2, 1/2'], ['x, 1/2, 0', '-x, 1/2, 0', '0, x, 1/2', '0, -x, 1/2', '1/2, 0, x', '1/2, 0, -x', '1/2, x, 0', '1/2, -x, 0', 'x, 0, 1/2', '-x, 0, 1/2', '0, 1/2, -x', '0, 1/2, x', 'x+1/2, 1, 1/2', '-x+1/2, 1, 1/2', '1/2, x+1/2, 1', '1/2, -x+1/2, 1', '1, 1/2, x+1/2', '1, 1/2, -x+1/2', '1, x+1/2, 1/2', '1, -x+1/2, 1/2', 'x+1/2, 1/2, 1', '-x+1/2, 1/2, 1', '1/2, 1, -x+1/2', '1/2, 1, x+1/2'], ['x, x, x', '-x, -x, x', '-x, x, -x', 'x, -x, -x', 'x, x, -x', '-x, -x, -x', 'x, -x, x', '-x, x, x', 'x+1/2, x+1/2, x+1/2', '-x+1/2, -x+1/2, x+1/2', '-x+1/2, x+1/2, -x+1/2', 'x+1/2, -x+1/2, -x+1/2', 'x+1/2, x+1/2, -x+1/2', '-x+1/2, -x+1/2, -x+1/2', 'x+1/2, -x+1/2, x+1/2', '-x+1/2, x+1/2, x+1/2'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', '0, 0, x', '0, 0, -x', 'x+1/2, 1/2, 1/2', '-x+1/2, 1/2, 1/2', '1/2, x+1/2, 1/2', '1/2, -x+1/2, 1/2', '1/2, 1/2, x+1/2', '1/2, 1/2, -x+1/2'], ['1/4, 1/2, 0', '3/4, 1/2, 0', '0, 1/4, 1/2', '0, 3/4, 1/2', '1/2, 0, 1/4', '1/2, 0, 3/4', '3/4, 1, 1/2', '5/4, 1, 1/2', '1/2, 3/4, 1', '1/2, 5/4, 1', '1, 1/2, 3/4', '1, 1/2, 5/4'], ['1/4, 1/4, 1/4', '3/4, 3/4, 1/4', '3/4, 1/4, 3/4', '1/4, 3/4, 3/4', '3/4, 3/4, 3/4', '5/4, 5/4, 3/4', '5/4, 3/4, 5/4', '3/4, 5/4, 5/4'], ['0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0', '1/2, 1, 1', '1, 1/2, 1', '1, 1, 1/2'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n212,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', 'y+1/4, x+3/4, -z+3/4', '-y+1/4, -x+1/4, -z+1/4', 'y+3/4, -x+3/4, z+1/4', '-y+3/4, x+1/4, z+3/4', 'x+1/4, z+3/4, -y+3/4', '-x+3/4, z+1/4, y+3/4', '-x+1/4, -z+1/4, -y+1/4', 'x+3/4, -z+3/4, y+1/4', 'z+1/4, y+3/4, -x+3/4', 'z+3/4, -y+3/4, x+1/4', '-z+3/4, y+1/4, x+3/4', '-z+1/4, -y+1/4, -x+1/4'], ['1/8, y, -y+1/4', '3/8, -y, -y+3/4', '7/8, y+1/2, y+1/4', '5/8, -y+1/2, y+3/4', '-y+1/4, 1/8, y', '-y+3/4, 3/8, -y', 'y+1/4, 7/8, y+1/2', 'y+3/4, 5/8, -y+1/2', 'y, -y+1/4, 1/8', '-y, -y+3/4, 3/8', 'y+1/2, y+1/4, 7/8', '-y+1/2, y+3/4, 5/8'], ['x, x, x', '-x+1/2, -x, x+1/2', '-x, x+1/2, -x+1/2', 'x+1/2, -x+1/2, -x', 'x+1/4, x+3/4, -x+3/4', '-x+1/4, -x+1/4, -x+1/4', 'x+3/4, -x+3/4, x+1/4', '-x+3/4, x+1/4, x+3/4'], ['5/8, 5/8, 5/8', '7/8, 3/8, 1/8', '3/8, 1/8, 7/8', '1/8, 7/8, 3/8'], ['1/8, 1/8, 1/8', '3/8, 7/8, 5/8', '7/8, 5/8, 3/8', '5/8, 3/8, 7/8']]\"\n213,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', 'y+3/4, x+1/4, -z+1/4', '-y+3/4, -x+3/4, -z+3/4', 'y+1/4, -x+1/4, z+3/4', '-y+1/4, x+3/4, z+1/4', 'x+3/4, z+1/4, -y+1/4', '-x+1/4, z+3/4, y+1/4', '-x+3/4, -z+3/4, -y+3/4', 'x+1/4, -z+1/4, y+3/4', 'z+3/4, y+1/4, -x+1/4', 'z+1/4, -y+1/4, x+3/4', '-z+1/4, y+3/4, x+1/4', '-z+3/4, -y+3/4, -x+3/4'], ['1/8, y, y+1/4', '3/8, -y, y+3/4', '7/8, y+1/2, -y+1/4', '5/8, -y+1/2, -y+3/4', 'y+1/4, 1/8, y', 'y+3/4, 3/8, -y', '-y+1/4, 7/8, y+1/2', '-y+3/4, 5/8, -y+1/2', 'y, y+1/4, 1/8', '-y, y+3/4, 3/8', 'y+1/2, -y+1/4, 7/8', '-y+1/2, -y+3/4, 5/8'], ['x, x, x', '-x+1/2, -x, x+1/2', '-x, x+1/2, -x+1/2', 'x+1/2, -x+1/2, -x', 'x+3/4, x+1/4, -x+1/4', '-x+3/4, -x+3/4, -x+3/4', 'x+1/4, -x+1/4, x+3/4', '-x+1/4, x+3/4, x+1/4'], ['7/8, 7/8, 7/8', '5/8, 1/8, 3/8', '1/8, 3/8, 5/8', '3/8, 5/8, 1/8'], ['3/8, 3/8, 3/8', '1/8, 5/8, 7/8', '5/8, 7/8, 1/8', '7/8, 1/8, 5/8']]\"\n214,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', 'y+3/4, x+1/4, -z+1/4', '-y+3/4, -x+3/4, -z+3/4', 'y+1/4, -x+1/4, z+3/4', '-y+1/4, x+3/4, z+1/4', 'x+3/4, z+1/4, -y+1/4', '-x+1/4, z+3/4, y+1/4', '-x+3/4, -z+3/4, -y+3/4', 'x+1/4, -z+1/4, y+3/4', 'z+3/4, y+1/4, -x+1/4', 'z+1/4, -y+1/4, x+3/4', '-z+1/4, y+3/4, x+1/4', '-z+3/4, -y+3/4, -x+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1, -x+1, -y+1/2', '-z+1, -x+1/2, y+1', '-z+1/2, x+1, -y+1', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1, -x+1', 'y+1, -z+1, -x+1/2', '-y+1, -z+1/2, x+1', 'y+5/4, x+3/4, -z+3/4', '-y+5/4, -x+5/4, -z+5/4', 'y+3/4, -x+3/4, z+5/4', '-y+3/4, x+5/4, z+3/4', 'x+5/4, z+3/4, -y+3/4', '-x+3/4, z+5/4, y+3/4', '-x+5/4, -z+5/4, -y+5/4', 'x+3/4, -z+3/4, y+5/4', 'z+5/4, y+3/4, -x+3/4', 'z+3/4, -y+3/4, x+5/4', '-z+3/4, y+5/4, x+3/4', '-z+5/4, -y+5/4, -x+5/4'], ['1/8, y, -y+1/4', '3/8, -y, -y+3/4', '7/8, y+1/2, y+1/4', '5/8, -y+1/2, y+3/4', '-y+1/4, 1/8, y', '-y+3/4, 3/8, -y', 'y+1/4, 7/8, y+1/2', 'y+3/4, 5/8, -y+1/2', 'y, -y+1/4, 1/8', '-y, -y+3/4, 3/8', 'y+1/2, y+1/4, 7/8', '-y+1/2, y+3/4, 5/8', '5/8, y+1/2, -y+3/4', '7/8, -y+1/2, -y+5/4', '11/8, y+1, y+3/4', '9/8, -y+1, y+5/4', '-y+3/4, 5/8, y+1/2', '-y+5/4, 7/8, -y+1/2', 'y+3/4, 11/8, y+1', 'y+5/4, 9/8, -y+1', 'y+1/2, -y+3/4, 5/8', '-y+1/2, -y+5/4, 7/8', 'y+1, y+3/4, 11/8', '-y+1, y+5/4, 9/8'], ['1/8, y, y+1/4', '3/8, -y, y+3/4', '7/8, y+1/2, -y+1/4', '5/8, -y+1/2, -y+3/4', 'y+1/4, 1/8, y', 'y+3/4, 3/8, -y', '-y+1/4, 7/8, y+1/2', '-y+3/4, 5/8, -y+1/2', 'y, y+1/4, 1/8', '-y, y+3/4, 3/8', 'y+1/2, -y+1/4, 7/8', '-y+1/2, -y+3/4, 5/8', '5/8, y+1/2, y+3/4', '7/8, -y+1/2, y+5/4', '11/8, y+1, -y+3/4', '9/8, -y+1, -y+5/4', 'y+3/4, 5/8, y+1/2', 'y+5/4, 7/8, -y+1/2', '-y+3/4, 11/8, y+1', '-y+5/4, 9/8, -y+1', 'y+1/2, y+3/4, 5/8', '-y+1/2, y+5/4, 7/8', 'y+1, -y+3/4, 11/8', '-y+1, -y+5/4, 9/8'], ['x, 0, 1/4', '-x+1/2, 0, 3/4', '1/4, x, 0', '3/4, -x+1/2, 0', '0, 1/4, x', '0, 3/4, -x+1/2', '3/4, x+1/4, 0', '3/4, -x+3/4, 1/2', 'x+3/4, 1/2, 1/4', '-x+1/4, 0, 1/4', '0, 1/4, -x+1/4', '1/2, 1/4, x+3/4', 'x+1/2, 1/2, 3/4', '-x+1, 1/2, 5/4', '3/4, x+1/2, 1/2', '5/4, -x+1, 1/2', '1/2, 3/4, x+1/2', '1/2, 5/4, -x+1', '5/4, x+3/4, 1/2', '5/4, -x+5/4, 1', 'x+5/4, 1, 3/4', '-x+3/4, 1/2, 3/4', '1/2, 3/4, -x+3/4', '1, 3/4, x+5/4'], ['x, x, x', '-x+1/2, -x, x+1/2', '-x, x+1/2, -x+1/2', 'x+1/2, -x+1/2, -x', 'x+3/4, x+1/4, -x+1/4', '-x+3/4, -x+3/4, -x+3/4', 'x+1/4, -x+1/4, x+3/4', '-x+1/4, x+3/4, x+1/4', 'x+1/2, x+1/2, x+1/2', '-x+1, -x+1/2, x+1', '-x+1/2, x+1, -x+1', 'x+1, -x+1, -x+1/2', 'x+5/4, x+3/4, -x+3/4', '-x+5/4, -x+5/4, -x+5/4', 'x+3/4, -x+3/4, x+5/4', '-x+3/4, x+5/4, x+3/4'], ['5/8, 0, 1/4', '7/8, 0, 3/4', '1/4, 5/8, 0', '3/4, 7/8, 0', '0, 1/4, 5/8', '0, 3/4, 7/8', '9/8, 1/2, 3/4', '11/8, 1/2, 5/4', '3/4, 9/8, 1/2', '5/4, 11/8, 1/2', '1/2, 3/4, 9/8', '1/2, 5/4, 11/8'], ['1/8, 0, 1/4', '3/8, 0, 3/4', '1/4, 1/8, 0', '3/4, 3/8, 0', '0, 1/4, 1/8', '0, 3/4, 3/8', '5/8, 1/2, 3/4', '7/8, 1/2, 5/4', '3/4, 5/8, 1/2', '5/4, 7/8, 1/2', '1/2, 3/4, 5/8', '1/2, 5/4, 7/8'], ['7/8, 7/8, 7/8', '5/8, 1/8, 3/8', '1/8, 3/8, 5/8', '3/8, 5/8, 1/8', '11/8, 11/8, 11/8', '9/8, 5/8, 7/8', '5/8, 7/8, 9/8', '7/8, 9/8, 5/8'], ['1/8, 1/8, 1/8', '3/8, 7/8, 5/8', '7/8, 5/8, 3/8', '5/8, 3/8, 7/8', '5/8, 5/8, 5/8', '7/8, 11/8, 9/8', '11/8, 9/8, 7/8', '9/8, 7/8, 11/8']]\"\n215,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, z', '-y, -x, z', 'y, -x, -z', '-y, x, -z', 'x, z, y', '-x, z, -y', '-x, -z, y', 'x, -z, -y', 'z, y, x', 'z, -y, -x', '-z, y, -x', '-z, -y, x'], ['x, x, z', '-x, -x, z', '-x, x, -z', 'x, -x, -z', 'z, x, x', 'z, -x, -x', '-z, -x, x', '-z, x, -x', 'x, z, x', '-x, z, -x', 'x, -z, -x', '-x, -z, x'], ['x, 1/2, 0', '-x, 1/2, 0', '0, x, 1/2', '0, -x, 1/2', '1/2, 0, x', '1/2, 0, -x', '1/2, x, 0', '1/2, -x, 0', 'x, 0, 1/2', '-x, 0, 1/2', '0, 1/2, x', '0, 1/2, -x'], ['x, 1/2, 1/2', '-x, 1/2, 1/2', '1/2, x, 1/2', '1/2, -x, 1/2', '1/2, 1/2, x', '1/2, 1/2, -x'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', '0, 0, x', '0, 0, -x'], ['x, x, x', '-x, -x, x', '-x, x, -x', 'x, -x, -x'], ['1/2, 0, 0', '0, 1/2, 0', '0, 0, 1/2'], ['0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0'], ['1/2, 1/2, 1/2'], ['0, 0, 0']]\"\n216,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, z', '-y, -x, z', 'y, -x, -z', '-y, x, -z', 'x, z, y', '-x, z, -y', '-x, -z, y', 'x, -z, -y', 'z, y, x', 'z, -y, -x', '-z, y, -x', '-z, -y, x', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x+1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z, -x+1/2, y+1/2', '-z, x+1/2, -y+1/2', 'y, z+1/2, x+1/2', '-y, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y, -z+1/2, x+1/2', 'y, x+1/2, z+1/2', '-y, -x+1/2, z+1/2', 'y, -x+1/2, -z+1/2', '-y, x+1/2, -z+1/2', 'x, z+1/2, y+1/2', '-x, z+1/2, -y+1/2', '-x, -z+1/2, y+1/2', 'x, -z+1/2, -y+1/2', 'z, y+1/2, x+1/2', 'z, -y+1/2, -x+1/2', '-z, y+1/2, -x+1/2', '-z, -y+1/2, x+1/2', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'z+1/2, x, y+1/2', 'z+1/2, -x, -y+1/2', '-z+1/2, -x, y+1/2', '-z+1/2, x, -y+1/2', 'y+1/2, z, x+1/2', '-y+1/2, z, -x+1/2', 'y+1/2, -z, -x+1/2', '-y+1/2, -z, x+1/2', 'y+1/2, x, z+1/2', '-y+1/2, -x, z+1/2', 'y+1/2, -x, -z+1/2', '-y+1/2, x, -z+1/2', 'x+1/2, z, y+1/2', '-x+1/2, z, -y+1/2', '-x+1/2, -z, y+1/2', 'x+1/2, -z, -y+1/2', 'z+1/2, y, x+1/2', 'z+1/2, -y, -x+1/2', '-z+1/2, y, -x+1/2', '-z+1/2, -y, x+1/2', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'z+1/2, x+1/2, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x+1/2, y', '-z+1/2, x+1/2, -y', 'y+1/2, z+1/2, x', '-y+1/2, z+1/2, -x', 'y+1/2, -z+1/2, -x', '-y+1/2, -z+1/2, x', 'y+1/2, x+1/2, z', '-y+1/2, -x+1/2, z', 'y+1/2, -x+1/2, -z', '-y+1/2, x+1/2, -z', 'x+1/2, z+1/2, y', '-x+1/2, z+1/2, -y', '-x+1/2, -z+1/2, y', 'x+1/2, -z+1/2, -y', 'z+1/2, y+1/2, x', 'z+1/2, -y+1/2, -x', '-z+1/2, y+1/2, -x', '-z+1/2, -y+1/2, x'], ['x, x, z', '-x, -x, z', '-x, x, -z', 'x, -x, -z', 'z, x, x', 'z, -x, -x', '-z, -x, x', '-z, x, -x', 'x, z, x', '-x, z, -x', 'x, -z, -x', '-x, -z, x', 'x, x+1/2, z+1/2', '-x, -x+1/2, z+1/2', '-x, x+1/2, -z+1/2', 'x, -x+1/2, -z+1/2', 'z, x+1/2, x+1/2', 'z, -x+1/2, -x+1/2', '-z, -x+1/2, x+1/2', '-z, x+1/2, -x+1/2', 'x, z+1/2, x+1/2', '-x, z+1/2, -x+1/2', 'x, -z+1/2, -x+1/2', '-x, -z+1/2, x+1/2', 'x+1/2, x, z+1/2', '-x+1/2, -x, z+1/2', '-x+1/2, x, -z+1/2', 'x+1/2, -x, -z+1/2', 'z+1/2, x, x+1/2', 'z+1/2, -x, -x+1/2', '-z+1/2, -x, x+1/2', '-z+1/2, x, -x+1/2', 'x+1/2, z, x+1/2', '-x+1/2, z, -x+1/2', 'x+1/2, -z, -x+1/2', '-x+1/2, -z, x+1/2', 'x+1/2, x+1/2, z', '-x+1/2, -x+1/2, z', '-x+1/2, x+1/2, -z', 'x+1/2, -x+1/2, -z', 'z+1/2, x+1/2, x', 'z+1/2, -x+1/2, -x', '-z+1/2, -x+1/2, x', '-z+1/2, x+1/2, -x', 'x+1/2, z+1/2, x', '-x+1/2, z+1/2, -x', 'x+1/2, -z+1/2, -x', '-x+1/2, -z+1/2, x'], ['x, 1/4, 1/4', '-x, 3/4, 1/4', '1/4, x, 1/4', '1/4, -x, 3/4', '1/4, 1/4, x', '3/4, 1/4, -x', 'x, 3/4, 3/4', '-x, 5/4, 3/4', '1/4, x+1/2, 3/4', '1/4, -x+1/2, 5/4', '1/4, 3/4, x+1/2', '3/4, 3/4, -x+1/2', 'x+1/2, 1/4, 3/4', '-x+1/2, 3/4, 3/4', '3/4, x, 3/4', '3/4, -x, 5/4', '3/4, 1/4, x+1/2', '5/4, 1/4, -x+1/2', 'x+1/2, 3/4, 1/4', '-x+1/2, 5/4, 1/4', '3/4, x+1/2, 1/4', '3/4, -x+1/2, 3/4', '3/4, 3/4, x', '5/4, 3/4, -x'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', '0, 0, x', '0, 0, -x', 'x, 1/2, 1/2', '-x, 1/2, 1/2', '0, x+1/2, 1/2', '0, -x+1/2, 1/2', '0, 1/2, x+1/2', '0, 1/2, -x+1/2', 'x+1/2, 0, 1/2', '-x+1/2, 0, 1/2', '1/2, x, 1/2', '1/2, -x, 1/2', '1/2, 0, x+1/2', '1/2, 0, -x+1/2', 'x+1/2, 1/2, 0', '-x+1/2, 1/2, 0', '1/2, x+1/2, 0', '1/2, -x+1/2, 0', '1/2, 1/2, x', '1/2, 1/2, -x'], ['x, x, x', '-x, -x, x', '-x, x, -x', 'x, -x, -x', 'x, x+1/2, x+1/2', '-x, -x+1/2, x+1/2', '-x, x+1/2, -x+1/2', 'x, -x+1/2, -x+1/2', 'x+1/2, x, x+1/2', '-x+1/2, -x, x+1/2', '-x+1/2, x, -x+1/2', 'x+1/2, -x, -x+1/2', 'x+1/2, x+1/2, x', '-x+1/2, -x+1/2, x', '-x+1/2, x+1/2, -x', 'x+1/2, -x+1/2, -x'], ['3/4, 3/4, 3/4', '3/4, 5/4, 5/4', '5/4, 3/4, 5/4', '5/4, 5/4, 3/4'], ['1/4, 1/4, 1/4', '1/4, 3/4, 3/4', '3/4, 1/4, 3/4', '3/4, 3/4, 1/4'], ['1/2, 1/2, 1/2', '1/2, 1, 1', '1, 1/2, 1', '1, 1, 1/2'], ['0, 0, 0', '0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0']]\"\n217,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, z', '-y, -x, z', 'y, -x, -z', '-y, x, -z', 'x, z, y', '-x, z, -y', '-x, -z, y', 'x, -z, -y', 'z, y, x', 'z, -y, -x', '-z, y, -x', '-z, -y, x', 'x+1/2, y+1/2, z+1/2', '-x+1/2, -y+1/2, z+1/2', '-x+1/2, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1/2, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y+1/2', '-z+1/2, x+1/2, -y+1/2', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x+1/2', 'y+1/2, x+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, z+1/2, y+1/2', '-x+1/2, z+1/2, -y+1/2', '-x+1/2, -z+1/2, y+1/2', 'x+1/2, -z+1/2, -y+1/2', 'z+1/2, y+1/2, x+1/2', 'z+1/2, -y+1/2, -x+1/2', '-z+1/2, y+1/2, -x+1/2', '-z+1/2, -y+1/2, x+1/2'], ['x, x, z', '-x, -x, z', '-x, x, -z', 'x, -x, -z', 'z, x, x', 'z, -x, -x', '-z, -x, x', '-z, x, -x', 'x, z, x', '-x, z, -x', 'x, -z, -x', '-x, -z, x', 'x+1/2, x+1/2, z+1/2', '-x+1/2, -x+1/2, z+1/2', '-x+1/2, x+1/2, -z+1/2', 'x+1/2, -x+1/2, -z+1/2', 'z+1/2, x+1/2, x+1/2', 'z+1/2, -x+1/2, -x+1/2', '-z+1/2, -x+1/2, x+1/2', '-z+1/2, x+1/2, -x+1/2', 'x+1/2, z+1/2, x+1/2', '-x+1/2, z+1/2, -x+1/2', 'x+1/2, -z+1/2, -x+1/2', '-x+1/2, -z+1/2, x+1/2'], ['x, 1/2, 0', '-x, 1/2, 0', '0, x, 1/2', '0, -x, 1/2', '1/2, 0, x', '1/2, 0, -x', '1/2, x, 0', '1/2, -x, 0', 'x, 0, 1/2', '-x, 0, 1/2', '0, 1/2, x', '0, 1/2, -x', 'x+1/2, 1, 1/2', '-x+1/2, 1, 1/2', '1/2, x+1/2, 1', '1/2, -x+1/2, 1', '1, 1/2, x+1/2', '1, 1/2, -x+1/2', '1, x+1/2, 1/2', '1, -x+1/2, 1/2', 'x+1/2, 1/2, 1', '-x+1/2, 1/2, 1', '1/2, 1, x+1/2', '1/2, 1, -x+1/2'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', '0, 0, x', '0, 0, -x', 'x+1/2, 1/2, 1/2', '-x+1/2, 1/2, 1/2', '1/2, x+1/2, 1/2', '1/2, -x+1/2, 1/2', '1/2, 1/2, x+1/2', '1/2, 1/2, -x+1/2'], ['1/4, 1/2, 0', '3/4, 1/2, 0', '0, 1/4, 1/2', '0, 3/4, 1/2', '1/2, 0, 1/4', '1/2, 0, 3/4', '3/4, 1, 1/2', '5/4, 1, 1/2', '1/2, 3/4, 1', '1/2, 5/4, 1', '1, 1/2, 3/4', '1, 1/2, 5/4'], ['x, x, x', '-x, -x, x', '-x, x, -x', 'x, -x, -x', 'x+1/2, x+1/2, x+1/2', '-x+1/2, -x+1/2, x+1/2', '-x+1/2, x+1/2, -x+1/2', 'x+1/2, -x+1/2, -x+1/2'], ['0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0', '1/2, 1, 1', '1, 1/2, 1', '1, 1, 1/2'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n218,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y+1/2, x+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, z+1/2, y+1/2', '-x+1/2, z+1/2, -y+1/2', '-x+1/2, -z+1/2, y+1/2', 'x+1/2, -z+1/2, -y+1/2', 'z+1/2, y+1/2, x+1/2', 'z+1/2, -y+1/2, -x+1/2', '-z+1/2, y+1/2, -x+1/2', '-z+1/2, -y+1/2, x+1/2'], ['x, 0, 1/2', '-x, 0, 1/2', '1/2, x, 0', '1/2, -x, 0', '0, 1/2, x', '0, 1/2, -x', '1/2, x+1/2, 0', '1/2, -x+1/2, 0', 'x+1/2, 0, 1/2', '-x+1/2, 0, 1/2', '0, 1/2, x+1/2', '0, 1/2, -x+1/2'], ['x, 1/2, 0', '-x, 1/2, 0', '0, x, 1/2', '0, -x, 1/2', '1/2, 0, x', '1/2, 0, -x', '0, x+1/2, 1/2', '0, -x+1/2, 1/2', 'x+1/2, 1/2, 0', '-x+1/2, 1/2, 0', '1/2, 0, x+1/2', '1/2, 0, -x+1/2'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', '0, 0, x', '0, 0, -x', '1/2, x+1/2, 1/2', '1/2, -x+1/2, 1/2', 'x+1/2, 1/2, 1/2', '-x+1/2, 1/2, 1/2', '1/2, 1/2, x+1/2', '1/2, 1/2, -x+1/2'], ['x, x, x', '-x, -x, x', '-x, x, -x', 'x, -x, -x', 'x+1/2, x+1/2, x+1/2', '-x+1/2, -x+1/2, x+1/2', 'x+1/2, -x+1/2, -x+1/2', '-x+1/2, x+1/2, -x+1/2'], ['1/4, 0, 1/2', '3/4, 0, 1/2', '1/2, 1/4, 0', '1/2, 3/4, 0', '0, 1/2, 1/4', '0, 1/2, 3/4'], ['1/4, 1/2, 0', '3/4, 1/2, 0', '0, 1/4, 1/2', '0, 3/4, 1/2', '1/2, 0, 1/4', '1/2, 0, 3/4'], ['0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0', '0, 1/2, 0', '1/2, 0, 0', '0, 0, 1/2'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n219,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y+1/2, x+1/2, z+1/2', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'x+1/2, z+1/2, y+1/2', '-x+1/2, z+1/2, -y+1/2', '-x+1/2, -z+1/2, y+1/2', 'x+1/2, -z+1/2, -y+1/2', 'z+1/2, y+1/2, x+1/2', 'z+1/2, -y+1/2, -x+1/2', '-z+1/2, y+1/2, -x+1/2', '-z+1/2, -y+1/2, x+1/2', 'x, y+1/2, z+1/2', '-x, -y+1/2, z+1/2', '-x, y+1/2, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x+1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z, -x+1/2, y+1/2', '-z, x+1/2, -y+1/2', 'y, z+1/2, x+1/2', '-y, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y, -z+1/2, x+1/2', 'y+1/2, x+1, z+1', '-y+1/2, -x+1, z+1', 'y+1/2, -x+1, -z+1', '-y+1/2, x+1, -z+1', 'x+1/2, z+1, y+1', '-x+1/2, z+1, -y+1', '-x+1/2, -z+1, y+1', 'x+1/2, -z+1, -y+1', 'z+1/2, y+1, x+1', 'z+1/2, -y+1, -x+1', '-z+1/2, y+1, -x+1', '-z+1/2, -y+1, x+1', 'x+1/2, y, z+1/2', '-x+1/2, -y, z+1/2', '-x+1/2, y, -z+1/2', 'x+1/2, -y, -z+1/2', 'z+1/2, x, y+1/2', 'z+1/2, -x, -y+1/2', '-z+1/2, -x, y+1/2', '-z+1/2, x, -y+1/2', 'y+1/2, z, x+1/2', '-y+1/2, z, -x+1/2', 'y+1/2, -z, -x+1/2', '-y+1/2, -z, x+1/2', 'y+1, x+1/2, z+1', '-y+1, -x+1/2, z+1', 'y+1, -x+1/2, -z+1', '-y+1, x+1/2, -z+1', 'x+1, z+1/2, y+1', '-x+1, z+1/2, -y+1', '-x+1, -z+1/2, y+1', 'x+1, -z+1/2, -y+1', 'z+1, y+1/2, x+1', 'z+1, -y+1/2, -x+1', '-z+1, y+1/2, -x+1', '-z+1, -y+1/2, x+1', 'x+1/2, y+1/2, z', '-x+1/2, -y+1/2, z', '-x+1/2, y+1/2, -z', 'x+1/2, -y+1/2, -z', 'z+1/2, x+1/2, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x+1/2, y', '-z+1/2, x+1/2, -y', 'y+1/2, z+1/2, x', '-y+1/2, z+1/2, -x', 'y+1/2, -z+1/2, -x', '-y+1/2, -z+1/2, x', 'y+1, x+1, z+1/2', '-y+1, -x+1, z+1/2', 'y+1, -x+1, -z+1/2', '-y+1, x+1, -z+1/2', 'x+1, z+1, y+1/2', '-x+1, z+1, -y+1/2', '-x+1, -z+1, y+1/2', 'x+1, -z+1, -y+1/2', 'z+1, y+1, x+1/2', 'z+1, -y+1, -x+1/2', '-z+1, y+1, -x+1/2', '-z+1, -y+1, x+1/2'], ['x, 1/4, 1/4', '-x, 3/4, 1/4', '1/4, x, 1/4', '1/4, -x, 3/4', '1/4, 1/4, x', '3/4, 1/4, -x', '3/4, x+1/2, 3/4', '1/4, -x+1/2, 3/4', 'x+1/2, 3/4, 3/4', '-x+1/2, 3/4, 1/4', '3/4, 3/4, x+1/2', '3/4, 1/4, -x+1/2', 'x, 3/4, 3/4', '-x, 5/4, 3/4', '1/4, x+1/2, 3/4', '1/4, -x+1/2, 5/4', '1/4, 3/4, x+1/2', '3/4, 3/4, -x+1/2', '3/4, x+1, 5/4', '1/4, -x+1, 5/4', 'x+1/2, 5/4, 5/4', '-x+1/2, 5/4, 3/4', '3/4, 5/4, x+1', '3/4, 3/4, -x+1', 'x+1/2, 1/4, 3/4', '-x+1/2, 3/4, 3/4', '3/4, x, 3/4', '3/4, -x, 5/4', '3/4, 1/4, x+1/2', '5/4, 1/4, -x+1/2', '5/4, x+1/2, 5/4', '3/4, -x+1/2, 5/4', 'x+1, 3/4, 5/4', '-x+1, 3/4, 3/4', '5/4, 3/4, x+1', '5/4, 1/4, -x+1', 'x+1/2, 3/4, 1/4', '-x+1/2, 5/4, 1/4', '3/4, x+1/2, 1/4', '3/4, -x+1/2, 3/4', '3/4, 3/4, x', '5/4, 3/4, -x', '5/4, x+1, 3/4', '3/4, -x+1, 3/4', 'x+1, 5/4, 3/4', '-x+1, 5/4, 1/4', '5/4, 5/4, x+1/2', '5/4, 3/4, -x+1/2'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', '0, 0, x', '0, 0, -x', '1/2, x+1/2, 1/2', '1/2, -x+1/2, 1/2', 'x+1/2, 1/2, 1/2', '-x+1/2, 1/2, 1/2', '1/2, 1/2, x+1/2', '1/2, 1/2, -x+1/2', 'x, 1/2, 1/2', '-x, 1/2, 1/2', '0, x+1/2, 1/2', '0, -x+1/2, 1/2', '0, 1/2, x+1/2', '0, 1/2, -x+1/2', '1/2, x+1, 1', '1/2, -x+1, 1', 'x+1/2, 1, 1', '-x+1/2, 1, 1', '1/2, 1, x+1', '1/2, 1, -x+1', 'x+1/2, 0, 1/2', '-x+1/2, 0, 1/2', '1/2, x, 1/2', '1/2, -x, 1/2', '1/2, 0, x+1/2', '1/2, 0, -x+1/2', '1, x+1/2, 1', '1, -x+1/2, 1', 'x+1, 1/2, 1', '-x+1, 1/2, 1', '1, 1/2, x+1', '1, 1/2, -x+1', 'x+1/2, 1/2, 0', '-x+1/2, 1/2, 0', '1/2, x+1/2, 0', '1/2, -x+1/2, 0', '1/2, 1/2, x', '1/2, 1/2, -x', '1, x+1, 1/2', '1, -x+1, 1/2', 'x+1, 1, 1/2', '-x+1, 1, 1/2', '1, 1, x+1/2', '1, 1, -x+1/2'], ['x, x, x', '-x, -x, x', '-x, x, -x', 'x, -x, -x', 'x+1/2, x+1/2, x+1/2', '-x+1/2, -x+1/2, x+1/2', 'x+1/2, -x+1/2, -x+1/2', '-x+1/2, x+1/2, -x+1/2', 'x, x+1/2, x+1/2', '-x, -x+1/2, x+1/2', '-x, x+1/2, -x+1/2', 'x, -x+1/2, -x+1/2', 'x+1/2, x+1, x+1', '-x+1/2, -x+1, x+1', 'x+1/2, -x+1, -x+1', '-x+1/2, x+1, -x+1', 'x+1/2, x, x+1/2', '-x+1/2, -x, x+1/2', '-x+1/2, x, -x+1/2', 'x+1/2, -x, -x+1/2', 'x+1, x+1/2, x+1', '-x+1, -x+1/2, x+1', 'x+1, -x+1/2, -x+1', '-x+1, x+1/2, -x+1', 'x+1/2, x+1/2, x', '-x+1/2, -x+1/2, x', '-x+1/2, x+1/2, -x', 'x+1/2, -x+1/2, -x', 'x+1, x+1, x+1/2', '-x+1, -x+1, x+1/2', 'x+1, -x+1, -x+1/2', '-x+1, x+1, -x+1/2'], ['1/4, 0, 0', '3/4, 0, 0', '0, 1/4, 0', '0, 3/4, 0', '0, 0, 1/4', '0, 0, 3/4', '1/4, 1/2, 1/2', '3/4, 1/2, 1/2', '0, 3/4, 1/2', '0, 5/4, 1/2', '0, 1/2, 3/4', '0, 1/2, 5/4', '3/4, 0, 1/2', '5/4, 0, 1/2', '1/2, 1/4, 1/2', '1/2, 3/4, 1/2', '1/2, 0, 3/4', '1/2, 0, 5/4', '3/4, 1/2, 0', '5/4, 1/2, 0', '1/2, 3/4, 0', '1/2, 5/4, 0', '1/2, 1/2, 1/4', '1/2, 1/2, 3/4'], ['0, 1/4, 1/4', '0, 3/4, 1/4', '1/4, 0, 1/4', '1/4, 0, 3/4', '1/4, 1/4, 0', '3/4, 1/4, 0', '0, 3/4, 3/4', '0, 5/4, 3/4', '1/4, 1/2, 3/4', '1/4, 1/2, 5/4', '1/4, 3/4, 1/2', '3/4, 3/4, 1/2', '1/2, 1/4, 3/4', '1/2, 3/4, 3/4', '3/4, 0, 3/4', '3/4, 0, 5/4', '3/4, 1/4, 1/2', '5/4, 1/4, 1/2', '1/2, 3/4, 1/4', '1/2, 5/4, 1/4', '3/4, 1/2, 1/4', '3/4, 1/2, 3/4', '3/4, 3/4, 0', '5/4, 3/4, 0'], ['1/4, 1/4, 1/4', '3/4, 3/4, 3/4', '1/4, 3/4, 3/4', '3/4, 5/4, 5/4', '3/4, 1/4, 3/4', '5/4, 3/4, 5/4', '3/4, 3/4, 1/4', '5/4, 5/4, 3/4'], ['0, 0, 0', '1/2, 1/2, 1/2', '0, 1/2, 1/2', '1/2, 1, 1', '1/2, 0, 1/2', '1, 1/2, 1', '1/2, 1/2, 0', '1, 1, 1/2']]\"\n220,\"[['x, y, z', '-x+1/2, -y, z+1/2', '-x, y+1/2, -z+1/2', 'x+1/2, -y+1/2, -z', 'z, x, y', 'z+1/2, -x+1/2, -y', '-z+1/2, -x, y+1/2', '-z, x+1/2, -y+1/2', 'y, z, x', '-y, z+1/2, -x+1/2', 'y+1/2, -z+1/2, -x', '-y+1/2, -z, x+1/2', 'y+1/4, x+1/4, z+1/4', '-y+1/4, -x+3/4, z+3/4', 'y+3/4, -x+1/4, -z+3/4', '-y+3/4, x+3/4, -z+1/4', 'x+1/4, z+1/4, y+1/4', '-x+3/4, z+3/4, -y+1/4', '-x+1/4, -z+3/4, y+3/4', 'x+3/4, -z+1/4, -y+3/4', 'z+1/4, y+1/4, x+1/4', 'z+3/4, -y+1/4, -x+3/4', '-z+3/4, y+3/4, -x+1/4', '-z+1/4, -y+3/4, x+3/4', 'x+1/2, y+1/2, z+1/2', '-x+1, -y+1/2, z+1', '-x+1/2, y+1, -z+1', 'x+1, -y+1, -z+1/2', 'z+1/2, x+1/2, y+1/2', 'z+1, -x+1, -y+1/2', '-z+1, -x+1/2, y+1', '-z+1/2, x+1, -y+1', 'y+1/2, z+1/2, x+1/2', '-y+1/2, z+1, -x+1', 'y+1, -z+1, -x+1/2', '-y+1, -z+1/2, x+1', 'y+3/4, x+3/4, z+3/4', '-y+3/4, -x+5/4, z+5/4', 'y+5/4, -x+3/4, -z+5/4', '-y+5/4, x+5/4, -z+3/4', 'x+3/4, z+3/4, y+3/4', '-x+5/4, z+5/4, -y+3/4', '-x+3/4, -z+5/4, y+5/4', 'x+5/4, -z+3/4, -y+5/4', 'z+3/4, y+3/4, x+3/4', 'z+5/4, -y+3/4, -x+5/4', '-z+5/4, y+5/4, -x+3/4', '-z+3/4, -y+5/4, x+5/4'], ['x, 0, 1/4', '-x+1/2, 0, 3/4', '1/4, x, 0', '3/4, -x+1/2, 0', '0, 1/4, x', '0, 3/4, -x+1/2', '1/4, x+1/4, 1/2', '1/4, -x+3/4, 0', 'x+1/4, 1/2, 1/4', '-x+3/4, 0, 1/4', '1/2, 1/4, x+1/4', '0, 1/4, -x+3/4', 'x+1/2, 1/2, 3/4', '-x+1, 1/2, 5/4', '3/4, x+1/2, 1/2', '5/4, -x+1, 1/2', '1/2, 3/4, x+1/2', '1/2, 5/4, -x+1', '3/4, x+3/4, 1', '3/4, -x+5/4, 1/2', 'x+3/4, 1, 3/4', '-x+5/4, 1/2, 3/4', '1, 3/4, x+3/4', '1/2, 3/4, -x+5/4'], ['x, x, x', '-x+1/2, -x, x+1/2', '-x, x+1/2, -x+1/2', 'x+1/2, -x+1/2, -x', 'x+1/4, x+1/4, x+1/4', '-x+1/4, -x+3/4, x+3/4', 'x+3/4, -x+1/4, -x+3/4', '-x+3/4, x+3/4, -x+1/4', 'x+1/2, x+1/2, x+1/2', '-x+1, -x+1/2, x+1', '-x+1/2, x+1, -x+1', 'x+1, -x+1, -x+1/2', 'x+3/4, x+3/4, x+3/4', '-x+3/4, -x+5/4, x+5/4', 'x+5/4, -x+3/4, -x+5/4', '-x+5/4, x+5/4, -x+3/4'], ['7/8, 0, 1/4', '5/8, 0, 3/4', '1/4, 7/8, 0', '3/4, 5/8, 0', '0, 1/4, 7/8', '0, 3/4, 5/8', '11/8, 1/2, 3/4', '9/8, 1/2, 5/4', '3/4, 11/8, 1/2', '5/4, 9/8, 1/2', '1/2, 3/4, 11/8', '1/2, 5/4, 9/8'], ['3/8, 0, 1/4', '1/8, 0, 3/4', '1/4, 3/8, 0', '3/4, 1/8, 0', '0, 1/4, 3/8', '0, 3/4, 1/8', '7/8, 1/2, 3/4', '5/8, 1/2, 5/4', '3/4, 7/8, 1/2', '5/4, 5/8, 1/2', '1/2, 3/4, 7/8', '1/2, 5/4, 5/8']]\"\n221,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z', 'x, z, -y', '-x, z, y', '-x, -z, -y', 'x, -z, y', 'z, y, -x', 'z, -y, x', '-z, y, x', '-z, -y, -x', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', '-z, -x, -y', '-z, x, y', 'z, x, -y', 'z, -x, y', '-y, -z, -x', 'y, -z, x', '-y, z, x', 'y, z, -x', '-y, -x, z', 'y, x, z', '-y, x, -z', 'y, -x, -z', '-x, -z, y', 'x, -z, -y', 'x, z, y', '-x, z, -y', '-z, -y, x', '-z, y, -x', 'z, -y, -x', 'z, y, x'], ['x, x, z', '-x, -x, z', '-x, x, -z', 'x, -x, -z', 'z, x, x', 'z, -x, -x', '-z, -x, x', '-z, x, -x', 'x, z, x', '-x, z, -x', 'x, -z, -x', '-x, -z, x', 'x, x, -z', '-x, -x, -z', 'x, -x, z', '-x, x, z', 'x, z, -x', '-x, z, x', '-x, -z, -x', 'x, -z, x', 'z, x, -x', 'z, -x, x', '-z, x, x', '-z, -x, -x'], ['1/2, y, z', '1/2, -y, z', '1/2, y, -z', '1/2, -y, -z', 'z, 1/2, y', 'z, 1/2, -y', '-z, 1/2, y', '-z, 1/2, -y', 'y, z, 1/2', '-y, z, 1/2', 'y, -z, 1/2', '-y, -z, 1/2', 'y, 1/2, -z', '-y, 1/2, -z', 'y, 1/2, z', '-y, 1/2, z', '1/2, z, -y', '1/2, z, y', '1/2, -z, -y', '1/2, -z, y', 'z, y, 1/2', 'z, -y, 1/2', '-z, y, 1/2', '-z, -y, 1/2'], ['0, y, z', '0, -y, z', '0, y, -z', '0, -y, -z', 'z, 0, y', 'z, 0, -y', '-z, 0, y', '-z, 0, -y', 'y, z, 0', '-y, z, 0', 'y, -z, 0', '-y, -z, 0', 'y, 0, -z', '-y, 0, -z', 'y, 0, z', '-y, 0, z', '0, z, -y', '0, z, y', '0, -z, -y', '0, -z, y', 'z, y, 0', 'z, -y, 0', '-z, y, 0', '-z, -y, 0'], ['1/2, y, y', '1/2, -y, y', '1/2, y, -y', '1/2, -y, -y', 'y, 1/2, y', 'y, 1/2, -y', '-y, 1/2, y', '-y, 1/2, -y', 'y, y, 1/2', '-y, y, 1/2', 'y, -y, 1/2', '-y, -y, 1/2'], ['0, y, y', '0, -y, y', '0, y, -y', '0, -y, -y', 'y, 0, y', 'y, 0, -y', '-y, 0, y', '-y, 0, -y', 'y, y, 0', '-y, y, 0', 'y, -y, 0', '-y, -y, 0'], ['x, 1/2, 0', '-x, 1/2, 0', '0, x, 1/2', '0, -x, 1/2', '1/2, 0, x', '1/2, 0, -x', '1/2, x, 0', '1/2, -x, 0', 'x, 0, 1/2', '-x, 0, 1/2', '0, 1/2, -x', '0, 1/2, x'], ['x, x, x', '-x, -x, x', '-x, x, -x', 'x, -x, -x', 'x, x, -x', '-x, -x, -x', 'x, -x, x', '-x, x, x'], ['x, 1/2, 1/2', '-x, 1/2, 1/2', '1/2, x, 1/2', '1/2, -x, 1/2', '1/2, 1/2, x', '1/2, 1/2, -x'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', '0, 0, x', '0, 0, -x'], ['1/2, 0, 0', '0, 1/2, 0', '0, 0, 1/2'], ['0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0'], ['1/2, 1/2, 1/2'], ['0, 0, 0']]\"\n222,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x, y', 'z, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y', '-z+1/2, x, -y+1/2', 'y, z, x', '-y+1/2, z, -x+1/2', 'y, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x', 'y, x, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', 'y, -x+1/2, z', '-y+1/2, x, z', 'x, z, -y+1/2', '-x+1/2, z, y', '-x+1/2, -z+1/2, -y+1/2', 'x, -z+1/2, y', 'z, y, -x+1/2', 'z, -y+1/2, x', '-z+1/2, y, x', '-z+1/2, -y+1/2, -x+1/2', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y, z+1/2', '-x, y+1/2, z+1/2', '-z, -x, -y', '-z, x+1/2, y+1/2', 'z+1/2, x+1/2, -y', 'z+1/2, -x, y+1/2', '-y, -z, -x', 'y+1/2, -z, x+1/2', '-y, z+1/2, x+1/2', 'y+1/2, z+1/2, -x', '-y, -x, z+1/2', 'y+1/2, x+1/2, z+1/2', '-y, x+1/2, -z', 'y+1/2, -x, -z', '-x, -z, y+1/2', 'x+1/2, -z, -y', 'x+1/2, z+1/2, y+1/2', '-x, z+1/2, -y', '-z, -y, x+1/2', '-z, y+1/2, -x', 'z+1/2, -y, -x', 'z+1/2, y+1/2, x+1/2'], ['1/4, y, y', '1/4, -y+1/2, y', '1/4, y, -y+1/2', '1/4, -y+1/2, -y+1/2', 'y, 1/4, y', 'y, 1/4, -y+1/2', '-y+1/2, 1/4, y', '-y+1/2, 1/4, -y+1/2', 'y, y, 1/4', '-y+1/2, y, 1/4', 'y, -y+1/2, 1/4', '-y+1/2, -y+1/2, 1/4', '3/4, -y, -y', '3/4, y+1/2, -y', '3/4, -y, y+1/2', '3/4, y+1/2, y+1/2', '-y, 3/4, -y', '-y, 3/4, y+1/2', 'y+1/2, 3/4, -y', 'y+1/2, 3/4, y+1/2', '-y, -y, 3/4', 'y+1/2, -y, 3/4', '-y, y+1/2, 3/4', 'y+1/2, y+1/2, 3/4'], ['x, 3/4, 1/4', '-x+1/2, 3/4, 1/4', '1/4, x, 3/4', '1/4, -x+1/2, 3/4', '3/4, 1/4, x', '3/4, 1/4, -x+1/2', '3/4, x, 1/4', '3/4, -x+1/2, 1/4', 'x, 1/4, 3/4', '-x+1/2, 1/4, 3/4', '1/4, 3/4, -x+1/2', '1/4, 3/4, x', '-x, 1/4, 3/4', 'x+1/2, 1/4, 3/4', '3/4, -x, 1/4', '3/4, x+1/2, 1/4', '1/4, 3/4, -x', '1/4, 3/4, x+1/2', '1/4, -x, 3/4', '1/4, x+1/2, 3/4', '-x, 3/4, 1/4', 'x+1/2, 3/4, 1/4', '3/4, 1/4, x+1/2', '3/4, 1/4, -x'], ['x, x, x', '-x+1/2, -x+1/2, x', '-x+1/2, x, -x+1/2', 'x, -x+1/2, -x+1/2', 'x, x, -x+1/2', '-x+1/2, -x+1/2, -x+1/2', 'x, -x+1/2, x', '-x+1/2, x, x', '-x, -x, -x', 'x+1/2, x+1/2, -x', 'x+1/2, -x, x+1/2', '-x, x+1/2, x+1/2', '-x, -x, x+1/2', 'x+1/2, x+1/2, x+1/2', '-x, x+1/2, -x', 'x+1/2, -x, -x'], ['x, 1/4, 1/4', '-x+1/2, 1/4, 1/4', '1/4, x, 1/4', '1/4, -x+1/2, 1/4', '1/4, 1/4, x', '1/4, 1/4, -x+1/2', '-x, 3/4, 3/4', 'x+1/2, 3/4, 3/4', '3/4, -x, 3/4', '3/4, x+1/2, 3/4', '3/4, 3/4, -x', '3/4, 3/4, x+1/2'], ['0, 3/4, 1/4', '1/2, 3/4, 1/4', '1/4, 0, 3/4', '1/4, 1/2, 3/4', '3/4, 1/4, 0', '3/4, 1/4, 1/2', '3/4, 0, 1/4', '3/4, 1/2, 1/4', '0, 1/4, 3/4', '1/2, 1/4, 3/4', '1/4, 3/4, 1/2', '1/4, 3/4, 0'], ['0, 0, 0', '1/2, 1/2, 0', '1/2, 0, 1/2', '0, 1/2, 1/2', '0, 0, 1/2', '1/2, 1/2, 1/2', '0, 1/2, 0', '1/2, 0, 0'], ['3/4, 1/4, 1/4', '1/4, 3/4, 1/4', '1/4, 1/4, 3/4', '1/4, 3/4, 3/4', '3/4, 1/4, 3/4', '3/4, 3/4, 1/4'], ['1/4, 1/4, 1/4', '3/4, 3/4, 3/4']]\"\n223,\"[['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', 'y+1/2, -x+1/2, z+1/2', '-y+1/2, x+1/2, z+1/2', 'x+1/2, z+1/2, -y+1/2', '-x+1/2, z+1/2, y+1/2', '-x+1/2, -z+1/2, -y+1/2', 'x+1/2, -z+1/2, y+1/2', 'z+1/2, y+1/2, -x+1/2', 'z+1/2, -y+1/2, x+1/2', '-z+1/2, y+1/2, x+1/2', '-z+1/2, -y+1/2, -x+1/2', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', '-z, -x, -y', '-z, x, y', 'z, x, -y', 'z, -x, y', '-y, -z, -x', 'y, -z, x', '-y, z, x', 'y, z, -x', '-y+1/2, -x+1/2, z+1/2', 'y+1/2, x+1/2, z+1/2', '-y+1/2, x+1/2, -z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-x+1/2, -z+1/2, y+1/2', 'x+1/2, -z+1/2, -y+1/2', 'x+1/2, z+1/2, y+1/2', '-x+1/2, z+1/2, -y+1/2', '-z+1/2, -y+1/2, x+1/2', '-z+1/2, y+1/2, -x+1/2', 'z+1/2, -y+1/2, -x+1/2', 'z+1/2, y+1/2, x+1/2'], ['0, y, z', '0, -y, z', '0, y, -z', '0, -y, -z', 'z, 0, y', 'z, 0, -y', '-z, 0, y', '-z, 0, -y', 'y, z, 0', '-y, z, 0', 'y, -z, 0', '-y, -z, 0', 'y+1/2, 1/2, -z+1/2', '-y+1/2, 1/2, -z+1/2', 'y+1/2, 1/2, z+1/2', '-y+1/2, 1/2, z+1/2', '1/2, z+1/2, -y+1/2', '1/2, z+1/2, y+1/2', '1/2, -z+1/2, -y+1/2', '1/2, -z+1/2, y+1/2', 'z+1/2, y+1/2, 1/2', 'z+1/2, -y+1/2, 1/2', '-z+1/2, y+1/2, 1/2', '-z+1/2, -y+1/2, 1/2'], ['1/4, y, y+1/2', '3/4, -y, y+1/2', '3/4, y, -y+1/2', '1/4, -y, -y+1/2', 'y+1/2, 1/4, y', 'y+1/2, 3/4, -y', '-y+1/2, 3/4, y', '-y+1/2, 1/4, -y', 'y, y+1/2, 1/4', '-y, y+1/2, 3/4', 'y, -y+1/2, 3/4', '-y, -y+1/2, 1/4', '3/4, -y, -y+1/2', '1/4, y, -y+1/2', '1/4, -y, y+1/2', '3/4, y, y+1/2', '-y+1/2, 3/4, -y', '-y+1/2, 1/4, y', 'y+1/2, 1/4, -y', 'y+1/2, 3/4, y', '-y, -y+1/2, 3/4', 'y, -y+1/2, 1/4', '-y, y+1/2, 1/4', 'y, y+1/2, 3/4'], ['x, x, x', '-x, -x, x', '-x, x, -x', 'x, -x, -x', 'x+1/2, x+1/2, -x+1/2', '-x+1/2, -x+1/2, -x+1/2', 'x+1/2, -x+1/2, x+1/2', '-x+1/2, x+1/2, x+1/2', '-x, -x, -x', 'x, x, -x', 'x, -x, x', '-x, x, x', '-x+1/2, -x+1/2, x+1/2', 'x+1/2, x+1/2, x+1/2', '-x+1/2, x+1/2, -x+1/2', 'x+1/2, -x+1/2, -x+1/2'], ['x, 1/2, 0', '-x, 1/2, 0', '0, x, 1/2', '0, -x, 1/2', '1/2, 0, x', '1/2, 0, -x', '0, x+1/2, 1/2', '0, -x+1/2, 1/2', 'x+1/2, 1/2, 0', '-x+1/2, 1/2, 0', '1/2, 0, -x+1/2', '1/2, 0, x+1/2'], ['x, 0, 1/2', '-x, 0, 1/2', '1/2, x, 0', '1/2, -x, 0', '0, 1/2, x', '0, 1/2, -x', '1/2, x+1/2, 0', '1/2, -x+1/2, 0', 'x+1/2, 0, 1/2', '-x+1/2, 0, 1/2', '0, 1/2, -x+1/2', '0, 1/2, x+1/2'], ['x, 0, 0', '-x, 0, 0', '0, x, 0', '0, -x, 0', '0, 0, x', '0, 0, -x', '1/2, x+1/2, 1/2', '1/2, -x+1/2, 1/2', 'x+1/2, 1/2, 1/2', '-x+1/2, 1/2, 1/2', '1/2, 1/2, -x+1/2', '1/2, 1/2, x+1/2'], ['1/4, 1/4, 1/4', '3/4, 3/4, 1/4', '3/4, 1/4, 3/4', '1/4, 3/4, 3/4', '3/4, 3/4, 3/4', '1/4, 1/4, 3/4', '1/4, 3/4, 1/4', '3/4, 1/4, 1/4'], ['1/4, 1/2, 0', '3/4, 1/2, 0', '0, 1/4, 1/2', '0, 3/4, 1/2', '1/2, 0, 1/4', '1/2, 0, 3/4'], ['1/4, 0, 1/2', '3/4, 0, 1/2', '1/2, 1/4, 0', '1/2, 3/4, 0', '0, 1/2, 1/4', '0, 1/2, 3/4'], ['0, 1/2, 1/2', '1/2, 0, 1/2', '1/2, 1/2, 0', '0, 1/2, 0', '1/2, 0, 0', '0, 0, 1/2'], ['0, 0, 0', '1/2, 1/2, 1/2']]\"\n224,\"[['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x, y', 'z, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y', '-z+1/2, x, -y+1/2', 'y, z, x', '-y+1/2, z, -x+1/2', 'y, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x', 'y+1/2, x+1/2, -z', '-y, -x, -z', 'y+1/2, -x, z+1/2', '-y, x+1/2, z+1/2', 'x+1/2, z+1/2, -y', '-x, z+1/2, y+1/2', '-x, -z, -y', 'x+1/2, -z, y+1/2', 'z+1/2, y+1/2, -x', 'z+1/2, -y, x+1/2', '-z, y+1/2, x+1/2', '-z, -y, -x', '-x, -y, -z', 'x+1/2, y+1/2, -z', 'x+1/2, -y, z+1/2', '-x, y+1/2, z+1/2', '-z, -x, -y', '-z, x+1/2, y+1/2', 'z+1/2, x+1/2, -y', 'z+1/2, -x, y+1/2', '-y, -z, -x', 'y+1/2, -z, x+1/2', '-y, z+1/2, x+1/2', 'y+1/2, z+1/2, -x', '-y+1/2, -x+1/2, z', 'y, x, z', '-y+1/2, x, -z+1/2', 'y, -x+1/2, -z+1/2', '-x+1/2, -z+1/2, y', 'x, -z+1/2, -y+1/2', 'x, z, y', '-x+1/2, z, -y+1/2', '-z+1/2, -y+1/2, x', '-z+1/2, y, -x+1/2', 'z, -y+1/2, -x+1/2', 'z, y, x'], ['x, x, z', '-x+1/2, -x+1/2, z', '-x+1/2, x, -z+1/2', 'x, -x+1/2, -z+1/2', 'z, x, x', 'z, -x+1/2, -x+1/2', '-z+1/2, -x+1/2, x', '-z+1/2, x, -x+1/2', 'x, z, x', '-x+1/2, z, -x+1/2', 'x, -z+1/2, -x+1/2', '-x+1/2, -z+1/2, x', 'x+1/2, x+1/2, -z', '-x, -x, -z', 'x+1/2, -x, z+1/2', '-x, x+1/2, z+1/2', 'x+1/2, z+1/2, -x', '-x, z+1/2, x+1/2', '-x, -z, -x', 'x+1/2, -z, x+1/2', 'z+1/2, x+1/2, -x', 'z+1/2, -x, x+1/2', '-z, x+1/2, x+1/2', '-z, -x, -x'], ['1/2, y, -y', '0, -y+1/2, -y', '0, y, y+1/2', '1/2, -y+1/2, y+1/2', '-y, 1/2, y', '-y, 0, -y+1/2', 'y+1/2, 0, y', 'y+1/2, 1/2, -y+1/2', 'y, -y, 1/2', '-y+1/2, -y, 0', 'y, y+1/2, 0', '-y+1/2, y+1/2, 1/2', '1/2, -y, y', '0, y+1/2, y', '0, -y, -y+1/2', '1/2, y+1/2, -y+1/2', 'y, 1/2, -y', 'y, 0, y+1/2', '-y+1/2, 0, -y', '-y+1/2, 1/2, y+1/2', '-y, y, 1/2', 'y+1/2, y, 0', '-y, -y+1/2, 0', 'y+1/2, -y+1/2, 1/2'], ['1/2, y, y+1/2', '0, -y+1/2, y+1/2', '0, y, -y', '1/2, -y+1/2, -y', 'y+1/2, 1/2, y', 'y+1/2, 0, -y+1/2', '-y, 0, y', '-y, 1/2, -y+1/2', 'y, y+1/2, 1/2', '-y+1/2, y+1/2, 0', 'y, -y, 0', '-y+1/2, -y, 1/2', '1/2, -y, -y+1/2', '0, y+1/2, -y+1/2', '0, -y, y', '1/2, y+1/2, y', '-y+1/2, 1/2, -y', '-y+1/2, 0, y+1/2', 'y, 0, -y', 'y, 1/2, y+1/2', '-y, -y+1/2, 1/2', 'y+1/2, -y+1/2, 0', '-y, y, 0', 'y+1/2, y, 1/2'], ['x, 1/4, 3/4', '-x+1/2, 1/4, 3/4', '3/4, x, 1/4', '3/4, -x+1/2, 1/4', '1/4, 3/4, x', '1/4, 3/4, -x+1/2', '3/4, x+1/2, 1/4', '3/4, -x, 1/4', 'x+1/2, 1/4, 3/4', '-x, 1/4, 3/4', '1/4, 3/4, -x', '1/4, 3/4, x+1/2', '-x, 3/4, 1/4', 'x+1/2, 3/4, 1/4', '1/4, -x, 3/4', '1/4, x+1/2, 3/4', '3/4, 1/4, -x', '3/4, 1/4, x+1/2', '1/4, -x+1/2, 3/4', '1/4, x, 3/4', '-x+1/2, 3/4, 1/4', 'x, 3/4, 1/4', '3/4, 1/4, x', '3/4, 1/4, -x+1/2'], ['x, 1/4, 1/4', '-x+1/2, 1/4, 1/4', '1/4, x, 1/4', '1/4, -x+1/2, 1/4', '1/4, 1/4, x', '1/4, 1/4, -x+1/2', '3/4, x+1/2, 3/4', '3/4, -x, 3/4', 'x+1/2, 3/4, 3/4', '-x, 3/4, 3/4', '3/4, 3/4, -x', '3/4, 3/4, x+1/2'], ['1/2, 1/4, 3/4', '0, 1/4, 3/4', '3/4, 1/2, 1/4', '3/4, 0, 1/4', '1/4, 3/4, 1/2', '1/4, 3/4, 0', '1/2, 3/4, 1/4', '0, 3/4, 1/4', '1/4, 1/2, 3/4', '1/4, 0, 3/4', '3/4, 1/4, 1/2', '3/4, 1/4, 0'], ['x, x, x', '-x+1/2, -x+1/2, x', '-x+1/2, x, -x+1/2', 'x, -x+1/2, -x+1/2', 'x+1/2, x+1/2, -x', '-x, -x, -x', 'x+1/2, -x, x+1/2', '-x, x+1/2, x+1/2'], ['1/4, 3/4, 3/4', 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'1, 5/4, -x+3/4'], ['x, x, x', '-x+1/2, -x, x+1/2', '-x, x+1/2, -x+1/2', 'x+1/2, -x+1/2, -x', 'x+3/4, x+1/4, -x+1/4', '-x+3/4, -x+3/4, -x+3/4', 'x+1/4, -x+1/4, x+3/4', '-x+1/4, x+3/4, x+1/4', '-x, -x, -x', 'x+1/2, x, -x+1/2', 'x, -x+1/2, x+1/2', '-x+1/2, x+1/2, x', '-x+1/4, -x+3/4, x+3/4', 'x+1/4, x+1/4, x+1/4', '-x+3/4, x+3/4, -x+1/4', 'x+3/4, -x+1/4, -x+3/4', 'x+1/2, x+1/2, x+1/2', '-x+1, -x+1/2, x+1', '-x+1/2, x+1, -x+1', 'x+1, -x+1, -x+1/2', 'x+5/4, x+3/4, -x+3/4', '-x+5/4, -x+5/4, -x+5/4', 'x+3/4, -x+3/4, x+5/4', '-x+3/4, x+5/4, x+3/4', '-x+1/2, -x+1/2, -x+1/2', 'x+1, x+1/2, -x+1', 'x+1/2, -x+1, x+1', '-x+1, x+1, x+1/2', '-x+3/4, -x+5/4, x+5/4', 'x+3/4, x+3/4, x+3/4', '-x+5/4, x+5/4, -x+3/4', 'x+5/4, -x+3/4, -x+5/4'], ['3/8, 0, 1/4', '1/8, 0, 3/4', '1/4, 3/8, 0', '3/4, 1/8, 0', '0, 1/4, 3/8', '0, 3/4, 1/8', '3/4, 5/8, 0', '3/4, 3/8, 1/2', '1/8, 1/2, 1/4', '7/8, 0, 1/4', '0, 1/4, 7/8', '1/2, 1/4, 1/8', '7/8, 1/2, 3/4', '5/8, 1/2, 5/4', '3/4, 7/8, 1/2', '5/4, 5/8, 1/2', '1/2, 3/4, 7/8', '1/2, 5/4, 5/8', '5/4, 9/8, 1/2', '5/4, 7/8, 1', '5/8, 1, 3/4', '11/8, 1/2, 3/4', '1/2, 3/4, 11/8', '1, 3/4, 5/8'], ['1/8, 0, 1/4', '3/8, 0, 3/4', '1/4, 1/8, 0', '3/4, 3/8, 0', '0, 1/4, 1/8', '0, 3/4, 3/8', '7/8, 0, 3/4', '5/8, 0, 1/4', '3/4, 7/8, 0', '1/4, 5/8, 0', '0, 3/4, 7/8', '0, 1/4, 5/8', '5/8, 1/2, 3/4', '7/8, 1/2, 5/4', '3/4, 5/8, 1/2', '5/4, 7/8, 1/2', '1/2, 3/4, 5/8', '1/2, 5/4, 7/8', '11/8, 1/2, 5/4', '9/8, 1/2, 3/4', '5/4, 11/8, 1/2', '3/4, 9/8, 1/2', '1/2, 5/4, 11/8', '1/2, 3/4, 9/8'], ['1/8, 1/8, 1/8', '3/8, 7/8, 5/8', '7/8, 5/8, 3/8', '5/8, 3/8, 7/8', '7/8, 7/8, 7/8', '5/8, 1/8, 3/8', '1/8, 3/8, 5/8', '3/8, 5/8, 1/8', '5/8, 5/8, 5/8', '7/8, 11/8, 9/8', '11/8, 9/8, 7/8', '9/8, 7/8, 11/8', '11/8, 11/8, 11/8', '9/8, 5/8, 7/8', '5/8, 7/8, 9/8', '7/8, 9/8, 5/8'], ['0, 0, 0', '1/2, 0, 1/2', '0, 1/2, 1/2', '1/2, 1/2, 0', '3/4, 1/4, 1/4', '3/4, 3/4, 3/4', '1/4, 1/4, 3/4', '1/4, 3/4, 1/4', '1/2, 1/2, 1/2', '1, 1/2, 1', '1/2, 1, 1', '1, 1, 1/2', '5/4, 3/4, 3/4', '5/4, 5/4, 5/4', '3/4, 3/4, 5/4', '3/4, 5/4, 3/4']]\"\n" }, { "path": "pyxtal/database/wyckoff_sets.json", "content": "{\n\t\t\"1\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\"], \"Transformed WP\": [\"a\", \"a\"]}, \n\t\t\"2\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,0,0)\", \"t (0,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,0)\", \"t (1/2,0,1/2)\", \"t (0,1/2,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i\", \"d f e a c b h g i\", \"c g a e d h b f i\", \"b a g f h d c e i\", \"e h d c a g f b i\", \"f d h b g a e c i\", \"g c b h f e a d i\", \"h e f g b c d a i\"]}, \n\t\t\"3\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y,z+1/2\", \"x+1/2,y,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,0,0)\", \"t (0,0,1/2)\", \"t (1/2,0,1/2)\", \"-1 0,0,0\", \"-1 1/4,0,0\", \"-1 0,0,1/4\", \"-1 1/4,0,1/4\"], \"Transformed WP\": [\"a b c d e\", \"c d a b e\", \"b a d c e\", \"d c b a e\", \"a b c d e\", \"c d a b e\", \"b a d c e\", \"d c b a e\"]}, \n\t\t\"4\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y,z+1/2\", \"x+1/2,y,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,0,0)\", \"t (0,0,1/2)\", \"t (1/2,0,1/2)\", \"-1 0,0,0\", \"-1 1/4,0,0\", \"-1 0,0,1/4\", \"-1 1/4,0,1/4\"], \"Transformed WP\": [\"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\"]}, \n\t\t\"5\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x,-y,-z\", \"-x,-y,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"-1 0,0,0\", \"-1 0,0,1/4\"], \"Transformed WP\": [\"a b c\", \"b a c\", \"a b c\", \"b a c\"]}, \n\t\t\"6\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y+1/2,z\", \"-x,-y,-z\", \"-x,-y+1/2,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (0,1/2,0)\", \"-1 0,0,0\", \"-1 0,1/4,0\"], \"Transformed WP\": [\"a b c\", \"b a c\", \"a b c\", \"b a c\"]}, \n\t\t\"7\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y+1/2,z\", \"-x,-y,-z\", \"-x,-y+1/2,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (0,1/2,0)\", \"-1 0,0,0\", \"-1 0,1/4,0\"], \"Transformed WP\": [\"a\", \"a\", \"a\", \"a\"]}, \n\t\t\"8\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\"], \"Transformed WP\": [\"a b\", \"a b\"]}, \n\t\t\"9\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\"], \"Transformed WP\": [\"a\", \"a\"]}, \n\t\t\"10\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,0,0)\", \"t (0,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,0)\", \"t (1/2,0,1/2)\", \"t (0,1/2,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l m n o\", \"d e g a b h c f j i l k m n o\", \"b a f e d c h g i j k l n m o\", \"c f a g h b d e k l i j m n o\", \"e d h b a g f c j i l k n m o\", \"g h d c f e a b l k j i m n o\", \"f c b h g a e d k l i j n m o\", \"h g e f c d b a l k j i n m o\"]}, \n\t\t\"11\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,0,0)\", \"t (0,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,0)\", \"t (1/2,0,1/2)\", \"t (0,1/2,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f\", \"b a d c e f\", \"a b c d e f\", \"c d a b e f\", \"b a d c e f\", \"d c b a e f\", \"c d a b e f\", \"d c b a e f\"]}, \n\t\t\"12\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y,z+1/2\", \"x+1/2,y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,0,0)\", \"t (0,0,1/2)\", \"t (1/2,0,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j\", \"b a d c e f g h i j\", \"c d a b f e h g i j\", \"d c b a f e h g i j\"]}, \n\t\t\"13\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,0,0)\", \"t (0,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,0)\", \"t (1/2,0,1/2)\", \"t (0,1/2,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g\", \"d c b a f e g\", \"c d a b e f g\", \"a b c d e f g\", \"b a d c f e g\", \"d c b a f e g\", \"c d a b e f g\", \"b a d c f e g\"]}, \n\t\t\"14\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,0,0)\", \"t (0,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,0)\", \"t (1/2,0,1/2)\", \"t (0,1/2,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e\", \"b a d c e\", \"c d a b e\", \"c d a b e\", \"d c b a e\", \"d c b a e\", \"a b c d e\", \"b a d c e\"]},\n\t\t\"15\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y,z+1/2\", \"x+1/2,y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,0,0)\", \"t (0,0,1/2)\", \"t (1/2,0,1/2)\"], \"Transformed WP\": [\"a b c d e f\", \"b a d c e f\", \"a b d c e f\", \"b a c d e f\"]}, \n\t\t\"16\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\", \"17\", \"18\", \"19\", \"20\", \"21\", \"22\", \"23\", \"24\", \"25\", \"26\", \"27\", \"28\", \"29\", \"30\", \"31\", \"32\", \"33\", \"34\", \"35\", \"36\", \"37\", \"38\", \"39\", \"40\", \"41\", \"42\", \"43\", \"44\", \"45\", \"46\", \"47\", \"48\", \"49\", \"50\", \"51\", \"52\", \"53\", \"54\", \"55\", \"56\", \"57\", \"58\", \"59\", \"60\", \"61\", \"62\", \"63\", \"64\", \"65\", \"66\", \"67\", \"68\", \"69\", \"70\", \"71\", \"72\", \"73\", \"74\", \"75\", \"76\", \"77\", \"78\", \"79\", \"80\", \"81\", \"82\", \"83\", \"84\", \"85\", \"86\", \"87\", \"88\", \"89\", \"90\", \"91\", \"92\", \"93\", \"94\", \"95\", \"96\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y+1/2,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y+1/2,-z\", \"-x+1/2,-y,-z+1/2\", \"-x,-y+1/2,-z+1/2\", \"-x+1/2,-y+1/2,-z+1/2\", \"z,x,y\", \"z+1/2,x,y\", \"z,x+1/2,y\", \"z,x,y+1/2\", \"z+1/2,x+1/2,y\", \"z+1/2,x,y+1/2\", \"z,x+1/2,y+1/2\", \"z+1/2,x+1/2,y+1/2\", \"-z,-x,-y\", \"-z+1/2,-x,-y\", \"-z,-x+1/2,-y\", \"-z,-x,-y+1/2\", \"-z+1/2,-x+1/2,-y\", \"-z+1/2,-x,-y+1/2\", \"-z,-x+1/2,-y+1/2\", \"-z+1/2,-x+1/2,-y+1/2\", \"y,x,z\", \"y+1/2,x,z\", \"y,x+1/2,z\", \"y,x,z+1/2\", \"y+1/2,x+1/2,z\", \"y+1/2,x,z+1/2\", \"y,x+1/2,z+1/2\", \"y+1/2,x+1/2,z+1/2\", \"-y,-x,-z\", \"-y+1/2,-x,-z\", \"-y,-x+1/2,-z\", \"-y,-x,-z+1/2\", \"-y+1/2,-x+1/2,-z\", \"-y+1/2,-x,-z+1/2\", \"-y,-x+1/2,-z+1/2\", \"-y+1/2,-x+1/2,-z+1/2\", \"y,z,x\", \"y+1/2,z,x\", \"y,z+1/2,x\", \"y,z,x+1/2\", \"y+1/2,z+1/2,x\", \"y+1/2,z,x+1/2\", \"y,z+1/2,x+1/2\", \"y+1/2,z+1/2,x+1/2\", \"-y,-z,-x\", \"-y+1/2,-z,-x\", \"-y,-z+1/2,-x\", \"-y,-z,-x+1/2\", \"-y+1/2,-z+1/2,-x\", \"-y+1/2,-z,-x+1/2\", \"-y,-z+1/2,-x+1/2\", \"-y+1/2,-z+1/2,-x+1/2\", \"z,y,x\", \"z+1/2,y,x\", \"z,y+1/2,x\", \"z,y,x+1/2\", \"z+1/2,y+1/2,x\", \"z+1/2,y,x+1/2\", \"z,y+1/2,x+1/2\", \"z+1/2,y+1/2,x+1/2\", \"-z,-y,-x\", \"-z+1/2,-y,-x\", \"-z,-y+1/2,-x\", \"-z,-y,-x+1/2\", \"-z+1/2,-y+1/2,-x\", \"-z+1/2,-y,-x+1/2\", \"-z,-y+1/2,-x+1/2\", \"-z+1/2,-y+1/2,-x+1/2\", \"x,z,y\", \"x+1/2,z,y\", \"x,z+1/2,y\", \"x,z,y+1/2\", \"x+1/2,z+1/2,y\", \"x+1/2,z,y+1/2\", \"x,z+1/2,y+1/2\", \"x+1/2,z+1/2,y+1/2\", \"-x,-z,-y\", \"-x+1/2,-z,-y\", \"-x,-z+1/2,-y\", \"-x,-z,-y+1/2\", \"-x+1/2,-z+1/2,-y\", \"-x+1/2,-z,-y+1/2\", \"-x,-z+1/2,-y+1/2\", \"-x+1/2,-z+1/2,-y+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i j k l m n o p q r s t u\", \"b a e f c d h g i j k l o p m n r q t s u\", \"c e a g b h d f k l i j m n o p s t q r u\", \"d f g a h b c e j i l k n m p o q r s t u\", \"e c b h a g f d k l i j o p m n t s r q u\", \"f d h b g a e c j i l k p o n m r q t s u\", \"g h d c f e a b l k j i n m p o s t q r u\", \"h g f e d c b a l k j i p o n m t s r q u\", \"a b c d e f g h i j k l m n o p q r s t u\", \"b a e f c d h g i j k l o p m n r q t s u\", \"c e a g b h d f k l i j m n o p s t q r u\", \"d f g a h b c e j i l k n m p o q r s t u\", \"e c b h a g f d k l i j o p m n t s r q u\", \"f d h b g a e c j i l k p o n m r q t s u\", \"g h d c f e a b l k j i n m p o s t q r u\", \"h g f e d c b a l k j i p o n m t s r q u\", \"a d b c f g e h q s r t i k j l m n o p u\", \"d a f g b c h e q s r t j l i k n m p o u\", \"b f a e d h c g r t q s i k j l o p m n u\", \"c g e a h d b f s q t r k i l j m n o p u\", \"f b d h a e g c r t q s j l i k p o n m u\", \"g c h d e a f b s q t r l j k i n m p o u\", \"e h c b g f a d t r s q k i l j o p m n u\", \"h e g f c b d a t r s q l j k i p o n m u\", \"a d b c f g e h q s r t i k j l m n o p u\", \"d a f g b c h e q s r t j l i k n m p o u\", \"b f a e d h c g r t q s i k j l o p m n u\", \"c g e a h d b f s q t r k i l j m n o p u\", \"f b d h a e g c r t q s j l i k p o n m u\", \"g c h d e a f b s q t r l j k i n m p o u\", \"e h c b g f a d t r s q k i l j o p m n u\", \"h e g f c b d a t r s q l j k i p o n m u\", \"a c b d e g f h m n o p i j k l q s r t u\", \"c a e g b d h f m n o p k l i j s q t r u\", \"b e a f c h d g o p m n i j k l r t q s u\", \"d g f a h c b e n m p o j i l k q s r t u\", \"e b c h a f g d o p m n k l i j t r s q u\", \"g d h c f a e b n m p o l k j i s q t r u\", \"f h d b g e a c p o n m j i l k r t q s u\", \"h f g e d b c a p o n m l k j i t r s q u\", \"a c b d e g f h m n o p i j k l q s r t u\", \"c a e g b d h f m n o p k l i j s q t r u\", \"b e a f c h d g o p m n i j k l r t q s u\", \"d g f a h c b e n m p o j i l k q s r t u\", \"e b c h a f g d o p m n k l i j t r s q u\", \"g d h c f a e b n m p o l k j i s q t r u\", \"f h d b g e a c p o n m j i l k r t q s u\", \"h f g e d b c a p o n m l k j i t r s q u\", \"a c d b g e f h m o n p q r s t i k j l u\", \"c a g e d b h f m o n p s t q r k i l j u\", \"d g a f c h b e n p m o q r s t j l i k u\", \"b e f a h c d g o m p n r q t s i k j l u\", \"g d c h a f e b n p m o s t q r l j k i u\", \"e b h c f a g d o m p n t s r q k i l j u\", \"f h b d e g a c p n o m r q t s j l i k u\", \"h f e g b d c a p n o m t s r q l j k i u\", \"a c d b g e f h m o n p q r s t i k j l u\", \"c a g e d b h f m o n p s t q r k i l j u\", \"d g a f c h b e n p m o q r s t j l i k u\", \"b e f a h c d g o m p n r q t s i k j l u\", \"g d c h a f e b n p m o s t q r l j k i u\", \"e b h c f a g d o m p n t s r q k i l j u\", \"f h b d e g a c p n o m r q t s j l i k u\", \"h f e g b d c a p n o m t s r q l j k i u\", \"a d c b g f e h q r s t m o n p i j k l u\", \"d a g f c b h e q r s t n p m o j i l k u\", \"c g a e d h b f s t q r m o n p k l i j u\", \"b f e a h d c g r q t s o m p n i j k l u\", \"g c d h a e f b s t q r n p m o l k j i u\", \"f b h d e a g c r q t s p n o m j i l k u\", \"e h b c f g a d t s r q o m p n k l i j u\", \"h e f g b c d a t s r q p n o m l k j i u\", \"a d c b g f e h q r s t m o n p i j k l u\", \"d a g f c b h e q r s t n p m o j i l k u\", \"c g a e d h b f s t q r m o n p k l i j u\", \"b f e a h d c g r q t s o m p n i j k l u\", \"g c d h a e f b s t q r n p m o l k j i u\", \"f b h d e a g c r q t s p n o m j i l k u\", \"e h b c f g a d t s r q o m p n k l i j u\", \"h e f g b c d a t s r q p n o m l k j i u\", \"a b d c f e g h i k j l q s r t m o n p u\", \"b a f e d c h g i k j l r t q s o m p n u\", \"d f a g b h c e j l i k q s r t n p m o u\", \"c e g a h b d f k i l j s q t r m o n p u\", \"f d b h a g e c j l i k r t q s p n o m u\", \"e c h b g a f d k i l j t r s q o m p n u\", \"g h c d e f a b l j k i s q t r n p m o u\", \"h g e f c d b a l j k i t r s q p n o m u\", \"a b d c f e g h i k j l q s r t m o n p u\", \"b a f e d c h g i k j l r t q s o m p n u\", \"d f a g b h c e j l i k q s r t n p m o u\", \"c e g a h b d f k i l j s q t r m o n p u\", \"f d b h a g e c j l i k r t q s p n o m u\", \"e c h b g a f d k i l j t r s q o m p n u\", \"g h c d e f a b l j k i s q t r n p m o u\", \"h g e f c d b a l j k i t r s q p n o m u\"]}, \n\t\t\"17\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\", \"17\", \"18\", \"19\", \"20\", \"21\", \"22\", \"23\", \"24\", \"25\", \"26\", \"27\", \"28\", \"29\", \"30\", \"31\", \"32\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y+1/2,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y+1/2,-z\", \"-x+1/2,-y,-z+1/2\", \"-x,-y+1/2,-z+1/2\", \"-x+1/2,-y+1/2,-z+1/2\", \"y,x,z+1/4\", \"y+1/2,x,z+1/4\", \"y,x+1/2,z+1/4\", \"y,x,z+3/4\", \"y+1/2,x+1/2,z+1/4\", \"y+1/2,x,z+3/4\", \"y,x+1/2,z+3/4\", \"y+1/2,x+1/2,z+3/4\", \"-y,-x,-z+1/4\", \"-y+1/2,-x,-z+1/4\", \"-y,-x+1/2,-z+1/4\", \"-y,-x,-z+3/4\", \"-y+1/2,-x+1/2,-z+1/4\", \"-y+1/2,-x,-z+3/4\", \"-y,-x+1/2,-z+3/4\", \"-y+1/2,-x+1/2,-z+3/4\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e\", \"a b d c e\", \"b a c d e\", \"a b c d e\", \"b a d c e\", \"a b d c e\", \"b a c d e\", \"b a d c e\", \"a b c d e\", \"a b d c e\", \"b a c d e\", \"a b c d e\", \"b a d c e\", \"a b d c e\", \"b a c d e\", \"b a d c e\", \"c d a b e\", \"c d b a e\", \"d c a b e\", \"c d a b e\", \"d c b a e\", \"c d b a e\", \"d c a b e\", \"d c b a e\", \"c d a b e\", \"c d b a e\", \"d c a b e\", \"c d a b e\", \"d c b a e\", \"c d b a e\", \"d c a b e\", \"d c b a e\"]}, \n\t\t\"18\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\", \"17\", \"18\", \"19\", \"20\", \"21\", \"22\", \"23\", \"24\", \"25\", \"26\", \"27\", \"28\", \"29\", \"30\", \"31\", \"32\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y+1/2,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y+1/2,-z\", \"-x+1/2,-y,-z+1/2\", \"-x,-y+1/2,-z+1/2\", \"-x+1/2,-y+1/2,-z+1/2\", \"y,x,z\", \"y+1/2,x,z\", \"y,x+1/2,z\", \"y,x,z+1/2\", \"y+1/2,x+1/2,z\", \"y+1/2,x,z+1/2\", \"y,x+1/2,z+1/2\", \"y+1/2,x+1/2,z+1/2\", \"-y,-x,-z\", \"-y+1/2,-x,-z\", \"-y,-x+1/2,-z\", \"-y,-x,-z+1/2\", \"-y+1/2,-x+1/2,-z\", \"-y+1/2,-x,-z+1/2\", \"-y,-x+1/2,-z+1/2\", \"-y+1/2,-x+1/2,-z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"a b c\"]}, \n\t\t\"19\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\", \"17\", \"18\", \"19\", \"20\", \"21\", \"22\", \"23\", \"24\", \"25\", \"26\", \"27\", \"28\", \"29\", \"30\", \"31\", \"32\", \"33\", \"34\", \"35\", \"36\", \"37\", \"38\", \"39\", \"40\", \"41\", \"42\", \"43\", \"44\", \"45\", \"46\", \"47\", \"48\", \"49\", \"50\", \"51\", \"52\", \"53\", \"54\", \"55\", \"56\", \"57\", \"58\", \"59\", \"60\", \"61\", \"62\", \"63\", \"64\", \"65\", \"66\", \"67\", \"68\", \"69\", \"70\", \"71\", \"72\", \"73\", \"74\", \"75\", \"76\", \"77\", \"78\", \"79\", \"80\", \"81\", \"82\", \"83\", \"84\", \"85\", \"86\", \"87\", \"88\", \"89\", \"90\", \"91\", \"92\", \"93\", \"94\", \"95\", \"96\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y+1/2,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y+1/2,-z\", \"-x+1/2,-y,-z+1/2\", \"-x,-y+1/2,-z+1/2\", \"-x+1/2,-y+1/2,-z+1/2\", \"z,x,y\", \"z+1/2,x,y\", \"z,x+1/2,y\", \"z,x,y+1/2\", \"z+1/2,x+1/2,y\", \"z+1/2,x,y+1/2\", \"z,x+1/2,y+1/2\", \"z+1/2,x+1/2,y+1/2\", \"-z,-x,-y\", \"-z+1/2,-x,-y\", \"-z,-x+1/2,-y\", \"-z,-x,-y+1/2\", \"-z+1/2,-x+1/2,-y\", \"-z+1/2,-x,-y+1/2\", \"-z,-x+1/2,-y+1/2\", \"-z+1/2,-x+1/2,-y+1/2\", \"y+1/4,x+1/4,z+1/4\", \"y+3/4,x+1/4,z+1/4\", \"y+1/4,x+3/4,z+1/4\", \"y+1/4,x+3/4,z+3/4\", \"y+3/4,x+3/4,z+1/4\", \"y+3/4,x+1/4,z+3/4\", \"y+1/4,x+3/4,z+3/4\", \"y+3/4,x+3/4,z+3/4\", \"-y+1/4,-x+1/4,-z+1/4\", \"-y+3/4,-x+1/4,-z+1/4\", \"-y+1/4,-x+3/4,-z+1/4\", \"-y+1/4,-x+3/4,-z+3/4\", \"-y+3/4,-x+3/4,-z+1/4\", \"-y+3/4,-x+1/4,-z+3/4\", \"-y+1/4,-x+3/4,-z+3/4\", \"-y+3/4,-x+3/4,-z+3/4\", \"y,z,x\", \"y+1/2,z,x\", \"y,z+1/2,x\", \"y,z,x+1/2\", \"y+1/2,z+1/2,x\", \"y+1/2,z,x+1/2\", \"y,z+1/2,x+1/2\", \"y+1/2,z+1/2,x+1/2\", \"-y,-z,-x\", \"-y+1/2,-z,-x\", \"-y,-z+1/2,-x\", \"-y,-z,-x+1/2\", \"-y+1/2,-z+1/2,-x\", \"-y+1/2,-z,-x+1/2\", \"-y,-z+1/2,-x+1/2\", \"-y+1/2,-z+1/2,-x+1/2\", \"z+1/4,y+1/4,x+1/4\", \"z+3/4,y+1/4,x+1/4\", \"z+1/4,y+3/4,x+1/4\", \"z+1/4,y+1/4,x+3/4\", \"z+3/4,y+3/4,x+1/4\", \"z+3/4,y+1/4,x+3/4\", \"z+1/4,y+3/4,x+3/4\", \"z+3/4,y+3/4,x+3/4\", \"-z+1/4,-y+1/4,-x+1/4\", \"-z+3/4,-y+1/4,-x+1/4\", \"-z+1/4,-y+3/4,-x+1/4\", \"-z+1/4,-y+1/4,-x+3/4\", \"-z+3/4,-y+3/4,-x+1/4\", \"-z+3/4,-y+1/4,-x+3/4\", \"-z+1/4,-y+3/4,-x+3/4\", \"-z+3/4,-y+3/4,-x+3/4\", \"x+1/4,z+1/4,y+1/4\", \"x+3/4,z+1/4,y+1/4\", \"x+1/4,z+3/4,y+1/4\", \"x+1/4,z+1/4,y+3/4\", \"x+3/4,z+3/4,y+1/4\", \"x+3/4,z+1/4,y+3/4\", \"x+1/4,z+3/4,y+3/4\", \"x+3/4,z+3/4,y+3/4\", \"-x+1/4,-z+1/4,-y+1/4\", \"-x+3/4,-z+1/4,-y+1/4\", \"-x+1/4,-z+3/4,-y+1/4\", \"-x+1/4,-z+1/4,-y+3/4\", \"-x+3/4,-z+3/4,-y+1/4\", \"-x+3/4,-z+1/4,-y+3/4\", \"-x+1/4,-z+3/4,-y+3/4\", \"-x+3/4,-z+3/4,-y+3/4\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\"]}, \n\t\t\"20\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y,z+1/2\", \"x+1/2,y,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y,-z+1/2\", \"y,x,z+1/4\", \"y+1/2,x,z+1/4\", \"y,x,z+3/4\", \"y+1/2,x,z+3/4\", \"-y,-x,-z+1/4\", \"-y+1/2,-x,-z+1/4\", \"-y,-x,-z+3/4\", \"-y+1/2,-x,-z+3/4\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c\", \"a b c\", \"a b c\", \"a b c\", \"a b c\", \"a b c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"b a c\", \"b a c\", \"b a c\", \"b a c\", \"b a c\", \"b a c\"]}, \n\t\t\"21\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y,z+1/2\", \"x+1/2,y,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y,-z+1/2\", \"y,x,z\", \"y+1/2,x,z\", \"y,x,z+1/2\", \"y+1/2,x,z+1/2\", \"-y,-x,-z\", \"-y+1/2,-x,-z\", \"-y,-x,-z+1/2\", \"-y+1/2,-x,-z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i j k l\", \"b a d c e f g h j i k l\", \"d c b a f e h g i j k l\", \"c d a b f e h g j i k l\", \"a b c d e f g h i j k l\", \"b a d c e f g h j i k l\", \"d c b a f e h g i j k l\", \"c d a b f e h g j i k l\", \"a b c d g h e f i j k l\", \"b a d c g h e f j i k l\", \"d c b a h g f e i j k l\", \"c d a b h g f e j i k l\", \"a b c d g h e f i j k l\", \"b a d c g h e f j i k l\", \"d c b a h g f e i j k l\", \"c d a b h g f e j i k l\"]}, \n\t\t\"22\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\", \"17\", \"18\", \"19\", \"20\", \"21\", \"22\", \"23\", \"24\", \"25\", \"26\", \"27\", \"28\", \"29\", \"30\", \"31\", \"32\", \"33\", \"34\", \"35\", \"36\", \"37\", \"38\", \"39\", \"40\", \"41\", \"42\", \"43\", \"44\", \"45\", \"46\", \"47\", \"48\"], \"Coset Representative\": [\"x,y,z\", \"x+1/4,y+1/4,z+1/4\", \"x+1/2,y+1/2,z+1/2\", \"x+3/4,y+3/4,z+3/4\", \"-x,-y,-z\", \"-x+1/4,-y+1/4,-z+1/4\", \"-x+1/2,-y+1/2,-z+1/2\", \"-x+3/4,-y+3/4,-z+3/4\", \"z,x,y\", \"z+1/4,x+1/4,y+1/4\", \"z+1/2,x+1/2,y+1/2\", \"z+3/4,x+3/4,y+3/4\", \"-z,-x,-y\", \"-z+1/4,-x+1/4,-y+1/4\", \"-z+1/2,-x+1/2,-y+1/2\", \"-z+3/4,-x+3/4,-y+3/4\", \"y,z,x\", \"y+1/4,z+1/4,x+1/4\", \"y+1/2,z+1/2,x+1/2\", \"y+3/4,z+3/4,x+3/4\", \"-y,-z,-x\", \"-y+1/4,-z+1/4,-x+1/4\", \"-y+1/2,-z+1/2,-x+1/2\", \"-y+3/4,-z+3/4,-x+3/4\", \"y,x,z\", \"y+1/4,x+1/4,z+1/4\", \"y+1/2,x+1/2,z+1/2\", \"y+3/4,x+3/4,z+3/4\", \"-y,-x,-z\", \"-y+1/4,-x+1/4,-z+1/4\", \"-y+1/2,-x+1/2,-z+1/2\", \"-y+3/4,-x+3/4,-z+3/4\", \"z,y,x\", \"z+1/4,y+1/4,x+1/4\", \"z+1/2,y+1/2,x+1/2\", \"z+3/4,y+3/4,x+3/4\", \"-z,-y,-x\", \"-z+1/4,-y+1/4,-x+1/4\", \"-z+1/2,-y+1/2,-x+1/2\", \"-z+3/4,-y+3/4,-x+3/4\", \"x,z,y\", \"x+1/4,z+1/4,y+1/4\", \"x+1/2,z+1/2,y+1/2\", \"x+3/4,z+3/4,y+3/4\", \"-x,-z,-y\", \"-x+1/4,-z+1/4,-y+1/4\", \"-x+1/2,-z+1/2,-y+1/2\", \"-x+3/4,-z+3/4,-y+3/4\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i j k\", \"d c a b j i h g f e k\", \"b a d c e f g h i j k\", \"c d b a j i h g f e k\", \"a b d c e f g h i j k\", \"c d a b j i h g f e k\", \"b a c d e f g h i j k\", \"d c b a j i h g f e k\", \"a b c d g e f i j h k\", \"d c a b h j i f e g k\", \"b a d c g e f i j h k\", \"c d b a h j i f e g k\", \"a b d c g e f i j h k\", \"c d a b h j i f e g k\", \"b a c d g e f i j h k\", \"d c b a h j i f e g k\", \"a b c d f g e j h i k\", \"d c a b i h j e g f k\", \"b a d c f g e j h i k\", \"c d b a i h j e g f k\", \"a b d c f g e j h i k\", \"c d a b i h j e g f k\", \"b a c d f g e j h i k\", \"d c b a i h j e g f k\", \"a b c d f e g h j i k\", \"d c a b i j h g e f k\", \"b a d c f e g h j i k\", \"c d b a i j h g e f k\", \"a b d c f e g h j i k\", \"c d a b i j h g e f k\", \"b a c d f e g h j i k\", \"d c b a i j h g e f k\", \"a b c d g f e j i h k\", \"d c a b h i j e f g k\", \"b a d c g f e j i h k\", \"c d b a h i j e f g k\", \"a b d c g f e j i h k\", \"c d a b h i j e f g k\", \"b a c d g f e j i h k\", \"d c b a h i j e f g k\", \"a b c d e g f i h j k\", \"d c a b j h i f g e k\", \"b a d c e g f i h j k\", \"c d b a j h i f g e k\", \"a b d c e g f i h j k\", \"c d a b j h i f g e k\", \"b a c d e g f i h j k\", \"d c b a j h i f g e k\"]}, \n\t\t\"23\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\", \"17\", \"18\", \"19\", \"20\", \"21\", \"22\", \"23\", \"24\", \"25\", \"26\", \"27\", \"28\", \"29\", \"30\", \"31\", \"32\", \"33\", \"34\", \"35\", \"36\", \"37\", \"38\", \"39\", \"40\", \"41\", \"42\", \"43\", \"44\", \"45\", \"46\", \"47\", \"48\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y+1/2,-z\", \"-x+1/2,-y+1/2,-z\", \"z,x,y\", \"z+1/2,x,y\", \"z,x+1/2,y\", \"z+1/2,x+1/2,y\", \"-z,-x,-y\", \"-z+1/2,-x,-y\", \"-z,-x+1/2,-y\", \"-z+1/2,-x+1/2,-y\", \"y,z,x\", \"y+1/2,z,x\", \"y,z+1/2,x\", \"y+1/2,z+1/2,x\", \"-y,-z,-x\", \"-y+1/2,-z,-x\", \"-y,-z+1/2,-x\", \"-y+1/2,-z+1/2,-x\", \"y,x,z\", \"y+1/2,x,z\", \"y,x+1/2,z\", \"y+1/2,x+1/2,z\", \"-y,-x,-z\", \"-y+1/2,-x,-z\", \"-y,-x+1/2,-z\", \"-y+1/2,-x+1/2,-z\", \"z,y,x\", \"z+1/2,y,x\", \"z,y+1/2,x\", \"z+1/2,y+1/2,x\", \"-z,-y,-x\", \"-z+1/2,-y,-x\", \"-z,-y+1/2,-x\", \"-z+1/2,-y+1/2,-x\", \"x,z,y\", \"x+1/2,z,y\", \"x,z+1/2,y\", \"x+1/2,z+1/2,y\", \"-x,-z,-y\", \"-x+1/2,-z,-y\", \"-x,-z+1/2,-y\", \"-x+1/2,-z+1/2,-y\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i j k\", \"b a d c e f h g j i k\", \"d c b a f e g h j i k\", \"c d a b f e h g i j k\", \"a b c d e f g h i j k\", \"b a d c e f h g j i k\", \"d c b a f e g h j i k\", \"c d a b f e h g i j k\", \"a c d b i j e f g h k\", \"c a b d i j f e h g k\", \"b d c a j i e f h g k\", \"d b a c j i f e g h k\", \"a c d b i j e f g h k\", \"c a b d i j f e h g k\", \"b d c a j i e f h g k\", \"d b a c j i f e g h k\", \"a d b c g h i j e f k\", \"d a c b g h j i f e k\", \"c b d a h g i j f e k\", \"b c a d h g j i e f k\", \"a d b c g h i j e f k\", \"d a c b g h j i f e k\", \"c b d a h g i j f e k\", \"b c a d h g j i e f k\", \"a d c b g h e f i j k\", \"d a b c g h f e j i k\", \"b c d a h g e f j i k\", \"c b a d h g f e i j k\", \"a d c b g h e f i j k\", \"d a b c g h f e j i k\", \"b c d a h g e f j i k\", \"c b a d h g f e i j k\", \"a c b d i j g h e f k\", \"c a d b i j h g f e k\", \"d b c a j i g h f e k\", \"b d a c j i h g e f k\", \"a c b d i j g h e f k\", \"c a d b i j h g f e k\", \"d b c a j i g h f e k\", \"b d a c j i h g e f k\", \"a b d c e f i j g h k\", \"b a c d e f j i h g k\", \"c d b a f e i j h g k\", \"d c a b f e j i g h k\", \"a b d c e f i j g h k\", \"b a c d e f j i h g k\", \"c d b a f e i j h g k\", \"d c a b f e j i g h k\"]}, \n\t\t\"24\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\", \"17\", \"18\", \"19\", \"20\", \"21\", \"22\", \"23\", \"24\", \"25\", \"26\", \"27\", \"28\", \"29\", \"30\", \"31\", \"32\", \"33\", \"34\", \"35\", \"36\", \"37\", \"38\", \"39\", \"40\", \"41\", \"42\", \"43\", \"44\", \"45\", \"46\", \"47\", \"48\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y+1/2,-z\", \"-x+1/2,-y+1/2,-z\", \"z,x,y\", \"z+1/2,x,y\", \"z,x+1/2,y\", \"z+1/2,x+1/2,y\", \"-z,-x,-y\", \"-z+1/2,-x,-y\", \"-z,-x+1/2,-y\", \"-z+1/2,-x+1/2,-y\", \"y,z,x\", \"y+1/2,z,x\", \"y,z+1/2,x\", \"y+1/2,z+1/2,x\", \"-y,-z,-x\", \"-y+1/2,-z,-x\", \"-y,-z+1/2,-x\", \"-y+1/2,-z+1/2,-x\", \"y+1/4,x+1/4,z+1/4\", \"y+3/4,x+1/4,z+1/4\", \"y+1/4,x+3/4,z+1/4\", \"y+3/4,x+3/4,z+1/4\", \"-y+1/4,-x+1/4,-z+1/4\", \"-y+3/4,-x+1/4,-z+1/4\", \"-y+1/4,-x+3/4,-z+1/4\", \"-y+3/4,-x+3/4,-z+1/4\", \"z+1/4,y+1/4,x+1/4\", \"z+3/4,y+1/4,x+1/4\", \"z+1/4,y+3/4,x+1/4\", \"z+3/4,y+3/4,x+1/4\", \"-z+1/4,-y+1/4,-x+1/4\", \"-z+3/4,-y+1/4,-x+1/4\", \"-z+1/4,-y+3/4,-x+1/4\", \"-z+3/4,-y+3/4,-x+1/4\", \"x+1/4,z+1/4,y+1/4\", \"x+3/4,z+1/4,y+1/4\", \"x+1/4,z+3/4,y+1/4\", \"x+3/4,z+3/4,y+1/4\", \"-x+1/4,-z+1/4,-y+1/4\", \"-x+3/4,-z+1/4,-y+1/4\", \"-x+1/4,-z+3/4,-y+1/4\", \"-x+3/4,-z+3/4,-y+1/4\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d\", \"a b c d\", \"a b c d\", \"a b c d\", \"a b c d\", \"a b c d\", \"a b c d\", \"a b c d\", \"c a b d\", \"c a b d\", \"c a b d\", \"c a b d\", \"c a b d\", \"c a b d\", \"c a b d\", \"c a b d\", \"b c a d\", \"b c a d\", \"b c a d\", \"b c a d\", \"b c a d\", \"b c a d\", \"b c a d\", \"b c a d\", \"b a c d\", \"b a c d\", \"b a c d\", \"b a c d\", \"b a c d\", \"b a c d\", \"b a c d\", \"b a c d\", \"c b a d\", \"c b a d\", \"c b a d\", \"c b a d\", \"c b a d\", \"c b a d\", \"c b a d\", \"c b a d\", \"a c b d\", \"a c b d\", \"a c b d\", \"a c b d\", \"a c b d\", \"a c b d\", \"a c b d\", \"a c b d\"]}, \n\t\t\"25\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y+1/2,-z\", \"-x+1/2,-y+1/2,-z\", \"y,x,z\", \"y+1/2,x,z\", \"y,x+1/2,z\", \"y+1/2,x+1/2,z\", \"-y,-x,-z\", \"-y+1/2,-x,-z\", \"-y,-x+1/2,-z\", \"-y+1/2,-x+1/2,-z\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i\", \"c d a b e f h g i\", \"b a d c f e g h i\", \"d c b a f e h g i\", \"a b c d e f g h i\", \"c d a b e f h g i\", \"b a d c f e g h i\", \"d c b a f e h g i\", \"a c b d g h e f i\", \"b d a c g h f e i\", \"c a d b h g e f i\", \"d b c a h g f e i\", \"a c b d g h e f i\", \"b d a c g h f e i\", \"c a d b h g e f i\", \"d b c a h g f e i\"]}, \n\t\t\"26\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y+1/2,-z\", \"-x+1/2,-y+1/2,-z\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c\", \"b a c\", \"a b c\", \"b a c\", \"a b c\", \"b a c\", \"a b c\", \"b a c\"]}, \n\t\t\"27\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y+1/2,-z\", \"-x+1/2,-y+1/2,-z\", \"y,x,z\", \"y+1/2,x,z\", \"y,x+1/2,z\", \"y+1/2,x+1/2,z\", \"-y,-x,-z\", \"-y+1/2,-x,-z\", \"-y,-x+1/2,-z\", \"-y+1/2,-x+1/2,-z\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e\", \"c d a b e\", \"b a d c e\", \"d c b a e\", \"a b c d e\", \"c d a b e\", \"b a d c e\", \"d c b a e\", \"a c b d e\", \"b d a c e\", \"c a d b e\", \"d b c a e\", \"a c b d e\", \"b d a c e\", \"c a d b e\", \"d b c a e\"]}, \n\t\t\"28\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y+1/2,-z\", \"-x+1/2,-y+1/2,-z\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d\", \"a b c d\", \"b a c d\", \"b a c d\", \"a b c d\", \"a b c d\", \"b a c d\", \"b a c d\"]}, \n\t\t\"29\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y+1/2,-z\", \"-x+1/2,-y+1/2,-z\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\"]}, \n\t\t\"30\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y+1/2,-z\", \"-x+1/2,-y+1/2,-z\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c\", \"b a c\", \"a b c\", \"b a c\", \"a b c\", \"b a c\", \"a b c\", \"b a c\"]}, \n\t\t\"31\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y+1/2,-z\", \"-x+1/2,-y+1/2,-z\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b\", \"a b\", \"a b\", \"a b\", \"a b\", \"a b\", \"a b\", \"a b\"]}, \n\t\t\"32\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y+1/2,-z\", \"-x+1/2,-y+1/2,-z\", \"y,x,z\", \"y+1/2,x,z\", \"y,x+1/2,z\", \"y+1/2,x+1/2,z\", \"-y,-x,-z\", \"-y+1/2,-x,-z\", \"-y,-x+1/2,-z\", \"-y+1/2,-x+1/2,-z\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"a b c\"]}, \n\t\t\"33\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y+1/2,-z\", \"-x+1/2,-y+1/2,-z\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\"]}, \n\t\t\"34\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"-x,-y+1/2,-z\", \"-x+1/2,-y+1/2,-z\", \"y,x,z\", \"y+1/2,x,z\", \"y,x+1/2,z\", \"y+1/2,x+1/2,z\", \"-y,-x,-z\", \"-y+1/2,-x,-z\", \"-y,-x+1/2,-z\", \"-y+1/2,-x+1/2,-z\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"a b c\"]}, \n\t\t\"35\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"y,x,z\", \"y+1/2,x,z\", \"-y,-x,-z\", \"-y+1/2,-x,-z\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f\", \"b a c d e f\", \"a b c d e f\", \"b a c d e f\", \"a b c e d f\", \"b a c e d f\", \"a b c e d f\", \"b a c e d f\"]}, \n\t\t\"36\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\"], \"Geometrical Interpretation\": [null, null, null, null], \"Transformed WP\": [\"a b\", \"a b\", \"a b\", \"a b\"]}, \n\t\t\"37\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"y,x,z\", \"y+1/2,x,z\", \"-y,-x,-z\", \"-y+1/2,-x,-z\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d\", \"b a c d\", \"a b c d\", \"b a c d\", \"a b c d\", \"b a c d\", \"a b c d\", \"b a c d\"]}, \n\t\t\"38\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\"], \"Geometrical Interpretation\": [null, null, null, null], \"Transformed WP\": [\"a b c d e f\", \"b a c e d f\", \"a b c d e f\", \"b a c e d f\"]}, \n\t\t\"39\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\"], \"Geometrical Interpretation\": [null, null, null, null], \"Transformed WP\": [\"a b c d\", \"b a c d\", \"a b c d\", \"b a c d\"]}, \n\t\t\"40\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\"], \"Geometrical Interpretation\": [null, null, null, null], \"Transformed WP\": [\"a b c\", \"a b c\", \"a b c\", \"a b c\"]}, \n\t\t\"41\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\"], \"Geometrical Interpretation\": [null, null, null, null], \"Transformed WP\": [\"a b\", \"a b\", \"a b\", \"a b\"]}, \n\t\t\"42\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\", \"y,x,z\", \"-y,-x,-z\"], \"Geometrical Interpretation\": [null, null, null, null], \"Transformed WP\": [\"a b c d e\", \"a b c d e\", \"a b d c e\", \"a b d c e\"]}, \n\t\t\"43\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"-x+1/4,-y+1/4,-z\", \"y,x,z\", \"-y+1/4,-x+1/4,-z\"], \"Geometrical Interpretation\": [null, null, null, null], \"Transformed WP\": [\"a b\", \"a b\", \"a b\", \"a b\"]}, \n\t\t\"44\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"y,x,z\", \"y+1/2,x,z\", \"-y,-x,-z\", \"-y+1/2,-x,-z\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e\", \"b a c d e\", \"a b c d e\", \"b a c d e\", \"a b d c e\", \"b a d c e\", \"a b d c e\", \"b a d c e\"]}, \n\t\t\"45\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\", \"y,x,z\", \"y+1/2,x,z\", \"-y,-x,-z\", \"-y+1/2,-x,-z\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c\", \"b a c\", \"a b c\", \"b a c\", \"a b c\", \"b a c\", \"a b c\", \"b a c\"]}, \n\t\t\"46\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"-x,-y,-z\", \"-x+1/2,-y,-z\"], \"Geometrical Interpretation\": [null, null, null, null], \"Transformed WP\": [\"a b c\", \"a b c\", \"a b c\", \"a b c\"]}, \n\t\t\"47\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\", \"17\", \"18\", \"19\", \"20\", \"21\", \"22\", \"23\", \"24\", \"25\", \"26\", \"27\", \"28\", \"29\", \"30\", \"31\", \"32\", \"33\", \"34\", \"35\", \"36\", \"37\", \"38\", \"39\", \"40\", \"41\", \"42\", \"43\", \"44\", \"45\", \"46\", \"47\", \"48\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"z,x,y\", \"z+1/2,x,y\", \"z,x+1/2,y\", \"z,x,y+1/2\", \"z+1/2,x+1/2,y\", \"z+1/2,x,y+1/2\", \"z,x+1/2,y+1/2\", \"z+1/2,x+1/2,y+1/2\", \"y,x,z\", \"y+1/2,x,z\", \"y,x+1/2,z\", \"y,x,z+1/2\", \"y+1/2,x+1/2,z\", \"y+1/2,x,z+1/2\", \"y,x+1/2,z+1/2\", \"y+1/2,x+1/2,z+1/2\", \"y,z,x\", \"y+1/2,z,x\", \"y,z+1/2,x\", \"y,z,x+1/2\", \"y+1/2,z+1/2,x\", \"y+1/2,z,x+1/2\", \"y,z+1/2,x+1/2\", \"y+1/2,z+1/2,x+1/2\", \"z,y,x\", \"z+1/2,y,x\", \"z,y+1/2,x\", \"z,y,x+1/2\", \"z+1/2,y+1/2,x\", \"z+1/2,y,x+1/2\", \"z,y+1/2,x+1/2\", \"z+1/2,y+1/2,x+1/2\", \"x,z,y\", \"x+1/2,z,y\", \"x,z+1/2,y\", \"x,z,y+1/2\", \"x+1/2,z+1/2,y\", \"x+1/2,z,y+1/2\", \"x,z+1/2,y+1/2\", \"x+1/2,z+1/2,y+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i j k l m n o p q r s t u v w x y z A\", \"b a d c f e h g i j k l o p m n s t q r v u w x y z A\", \"e f g h a b c d k l i j m n o p r q t s u v x w y z A\", \"c d a b g h e f j i l k n m p o q r s t u v w x z y A\", \"f e h g b a d c k l i j o p m n t s r q v u x w y z A\", \"d c b a h g f e j i l k p o n m s t q r v u w x z y A\", \"g h e f c d a b l k j i n m p o r q t s u v x w z y A\", \"h g f e d c b a l k j i p o n m t s r q v u x w z y A\", \"a c e g b d f h q r s t i k j l m o n p y z u v w x A\", \"c a g e d b h f q r s t j l i k n p m o z y u v w x A\", \"b d f h a c e g s t q r i k j l o m p n y z v u w x A\", \"e g a c f h b d r q t s k i l j m o n p y z u v x w A\", \"d b h f c a g e s t q r j l i k p n o m z y v u w x A\", \"g e c a h f d b r q t s l j k i n p m o z y u v x w A\", \"f h b d e g a c t s r q k i l j o m p n y z v u x w A\", \"h f d b g e c a t s r q l j k i p n o m z y v u x w A\", \"a e c g b f d h m n o p i j k l q s r t w x u v y z A\", \"e a g c f b h d m n o p k l i j r t q s x w u v y z A\", \"b f d h a e c g o p m n i j k l s q t r w x v u y z A\", \"c g a e d h b f n m p o j i l k q s r t w x u v z y A\", \"f b h d e a g c o p m n k l i j t r s q x w v u y z A\", \"g c e a h d f b n m p o l k j i r t q s x w u v z y A\", \"d h b f c g a e p o n m j i l k s q t r w x v u z y A\", \"h d f b g c e a p o n m l k j i t r s q x w v u z y A\", \"a e b f c g d h m o n p q s r t i j k l w x y z u v A\", \"e a f b g c h d m o n p r t q s k l i j x w y z u v A\", \"c g d h a e b f n p m o q s r t j i l k w x z y u v A\", \"b f a e d h c g o m p n s q t r i j k l w x y z v u A\", \"g c h d e a f b n p m o r t q s l k j i x w z y u v A\", \"f b e a h d g c o m p n t r s q k l i j x w y z v u A\", \"d h c g b f a e p n o m s q t r j i l k w x z y v u A\", \"h d g c f b e a p n o m t r s q l k j i x w z y v u A\", \"a c b d e g f h q s r t m o n p i k j l y z w x u v A\", \"c a d b g e h f q s r t n p m o j l i k z y w x u v A\", \"e g f h a c b d r t q s m o n p k i l j y z x w u v A\", \"b d a c f h e g s q t r o m p n i k j l y z w x v u A\", \"g e h f c a d b r t q s n p m o l j k i z y x w u v A\", \"d b c a h f g e s q t r p n o m j l i k z y w x v u A\", \"f h e g b d a c t r s q o m p n k i l j y z x w v u A\", \"h f g e d b c a t r s q p n o m l j k i z y x w v u A\", \"a b e f c d g h i k j l q r s t m n o p u v y z w x A\", \"b a f e d c h g i k j l s t q r o p m n v u y z w x A\", \"c d g h a b e f j l i k q r s t n m p o u v z y w x A\", \"e f a b g h c d k i l j r q t s m n o p u v y z x w A\", \"d c h g b a f e j l i k s t q r p o n m v u z y w x A\", \"f e b a h g d c k i l j t s r q o p m n v u y z x w A\", \"g h c d e f a b l j k i r q t s n m p o u v z y x w A\", \"h g d c f e b a l j k i t s r q p o n m v u z y x w A\"]}, \n\t\t\"48\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\", \"17\", \"18\", \"19\", \"20\", \"21\", \"22\", \"23\", \"24\", \"25\", \"26\", \"27\", \"28\", \"29\", \"30\", \"31\", \"32\", \"33\", \"34\", \"35\", \"36\", \"37\", \"38\", \"39\", \"40\", \"41\", \"42\", \"43\", \"44\", \"45\", \"46\", \"47\", \"48\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"z,x,y\", \"z+1/2,x,y\", \"z,x+1/2,y\", \"z,x,y+1/2\", \"z+1/2,x+1/2,y\", \"z+1/2,x,y+1/2\", \"z,x+1/2,y+1/2\", \"z+1/2,x+1/2,y+1/2\", \"y,x,z\", \"y+1/2,x,z\", \"y,x+1/2,z\", \"y,x,z+1/2\", \"y+1/2,x+1/2,z\", \"y+1/2,x,z+1/2\", \"y,x+1/2,z+1/2\", \"y+1/2,x+1/2,z+1/2\", \"y,z,x\", \"y+1/2,z,x\", \"y,z+1/2,x\", \"y,z,x+1/2\", \"y+1/2,z+1/2,x\", \"y+1/2,z,x+1/2\", \"y,z+1/2,x+1/2\", \"y+1/2,z+1/2,x+1/2\", \"z,y,x\", \"z+1/2,y,x\", \"z,y+1/2,x\", \"z,y,x+1/2\", \"z+1/2,y+1/2,x\", \"z+1/2,y,x+1/2\", \"z,y+1/2,x+1/2\", \"z+1/2,y+1/2,x+1/2\", \"x,z,y\", \"x+1/2,z,y\", \"x,z+1/2,y\", \"x,z,y+1/2\", \"x+1/2,z+1/2,y\", \"x+1/2,z,y+1/2\", \"x,z+1/2,y+1/2\", \"x+1/2,z+1/2,y+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i j k l m\", \"b a d c f e g h j i l k m\", \"d c b a f e h g i j l k m\", \"c d a b f e h g j i k l m\", \"c d a b e f h g j i k l m\", \"d c b a e f h g i j l k m\", \"b a d c e f g h j i l k m\", \"a b c d f e g h i j k l m\", \"a c d b e f k l g h i j m\", \"c a b d f e k l h g j i m\", \"b d c a f e l k g h j i m\", \"d b a c f e l k h g i j m\", \"d b a c e f l k h g i j m\", \"b d c a e f l k g h j i m\", \"c a b d e f k l h g j i m\", \"a c d b f e k l g h i j m\", \"a d c b e f i j g h k l m\", \"d a b c f e i j h g l k m\", \"b c d a f e j i g h l k m\", \"c b a d f e j i h g k l m\", \"c b a d e f j i h g k l m\", \"b c d a e f j i g h l k m\", \"d a b c e f i j h g l k m\", \"a d c b f e i j g h k l m\", \"a d b c e f i j k l g h m\", \"d a c b f e i j l k h g m\", \"c b d a f e j i k l h g m\", \"b c a d f e j i l k g h m\", \"b c a d e f j i l k g h m\", \"c b d a e f j i k l h g m\", \"d a c b e f i j l k h g m\", \"a d b c f e i j k l g h m\", \"a c b d e f k l i j g h m\", \"c a d b f e k l j i h g m\", \"d b c a f e l k i j h g m\", \"b d a c f e l k j i g h m\", \"b d a c e f l k j i g h m\", \"d b c a e f l k i j h g m\", \"c a d b e f k l j i h g m\", \"a c b d f e k l i j g h m\", \"a b d c e f g h k l i j m\", \"b a c d f e g h l k j i m\", \"c d b a f e h g k l j i m\", \"d c a b f e h g l k i j m\", \"d c a b e f h g l k i j m\", \"c d b a e f h g k l j i m\", \"b a c d e f g h l k j i m\", \"a b d c f e g h k l i j m\"]}, \n\t\t\"49\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"y,x,z\", \"y+1/2,x,z\", \"y,x+1/2,z\", \"y,x,z+1/2\", \"y+1/2,x+1/2,z\", \"y+1/2,x,z+1/2\", \"y,x+1/2,z+1/2\", \"y+1/2,x+1/2,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i j k l m n o p q r\", \"d c b a f e h g i j l k p o n m q r\", \"c d a b g h e f j i k l o p m n q r\", \"a b c d e f g h i j k l m n o p q r\", \"b a d c h g f e j i l k n m p o q r\", \"d c b a f e h g i j l k p o n m q r\", \"c d a b g h e f j i k l o p m n q r\", \"b a d c h g f e j i l k n m p o q r\", \"a b d c e g f h k l i j m n p o q r\", \"c d b a g e h f k l j i o p n m q r\", \"d c a b f h e g l k i j p o m n q r\", \"a b d c e g f h k l i j m n p o q r\", \"b a c d h f g e l k j i n m o p q r\", \"c d b a g e h f k l j i o p n m q r\", \"d c a b f h e g l k i j p o m n q r\", \"b a c d h f g e l k j i n m o p q r\"]}, \n\t\t\"50\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"y,x,z\", \"y+1/2,x,z\", \"y,x+1/2,z\", \"y,x,z+1/2\", \"y+1/2,x+1/2,z\", \"y+1/2,x,z+1/2\", \"y,x+1/2,z+1/2\", \"y+1/2,x+1/2,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i j k l m\", \"b a d c e f g h i j l k m\", \"b a d c e f g h i j l k m\", \"d c b a f e h g j i k l m\", \"a b c d e f g h i j k l m\", \"c d a b f e h g j i l k m\", \"c d a b f e h g j i l k m\", \"d c b a f e h g j i k l m\", \"a b c d e f i j g h k l m\", \"b a d c e f i j g h l k m\", \"b a d c e f i j g h l k m\", \"d c b a f e j i h g k l m\", \"a b c d e f i j g h k l m\", \"c d a b f e j i h g l k m\", \"c d a b f e j i h g l k m\", \"d c b a f e j i h g k l m\"]}, \n\t\t\"51\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i j k l\", \"a b c d e f g h i j k l\", \"b a d c f e g h j i k l\", \"c d a b e f h g i j k l\", \"b a d c f e g h j i k l\", \"c d a b e f h g i j k l\", \"d c b a f e h g j i k l\", \"d c b a f e h g j i k l\"]}, \n\t\t\"52\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e\", \"a b c d e\", \"b a c d e\", \"b a c d e\", \"b a c d e\", \"b a c d e\", \"a b c d e\", \"a b c d e\"]}, \n\t\t\"53\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i\", \"b a d c e f g h i\", \"d c b a f e g h i\", \"b a d c e f g h i\", \"c d a b f e g h i\", \"a b c d e f g h i\", \"c d a b f e g h i\", \"d c b a f e g h i\"]}, \n\t\t\"54\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f\", \"a b c d e f\", \"b a c e d f\", \"a b c d e f\", \"b a c e d f\", \"a b c d e f\", \"b a c e d f\", \"b a c e d f\"]}, \n\t\t\"55\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"y,x,z\", \"y+1/2,x,z\", \"y,x+1/2,z\", \"y,x,z+1/2\", \"y+1/2,x+1/2,z\", \"y+1/2,x,z+1/2\", \"y,x+1/2,z+1/2\", \"y+1/2,x+1/2,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i\", \"c d a b f e g h i\", \"c d a b f e g h i\", \"b a d c e f h g i\", \"a b c d e f g h i\", \"d c b a f e h g i\", \"d c b a f e h g i\", \"b a d c e f h g i\", \"a b c d e f g h i\", \"c d a b f e g h i\", \"c d a b f e g h i\", \"b a d c e f h g i\", \"a b c d e f g h i\", \"d c b a f e h g i\", \"d c b a f e h g i\", \"b a d c e f h g i\"]}, \n\t\t\"56\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"y,x,z\", \"y+1/2,x,z\", \"y,x+1/2,z\", \"y,x,z+1/2\", \"y+1/2,x+1/2,z\", \"y+1/2,x,z+1/2\", \"y,x+1/2,z+1/2\", \"y+1/2,x+1/2,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e\", \"b a d c e\", \"b a d c e\", \"b a c d e\", \"a b c d e\", \"a b d c e\", \"a b d c e\", \"b a c d e\", \"a b c d e\", \"b a d c e\", \"b a d c e\", \"b a c d e\", \"a b c d e\", \"a b d c e\", \"a b d c e\", \"b a c d e\"]}, \n\t\t\"57\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e\", \"b a c d e\", \"a b c d e\", \"a b c d e\", \"b a c d e\", \"b a c d e\", \"a b c d e\", \"b a c d e\"]}, \n\t\t\"58\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"y,x,z\", \"y+1/2,x,z\", \"y,x+1/2,z\", \"y,x,z+1/2\", \"y+1/2,x+1/2,z\", \"y+1/2,x,z+1/2\", \"y,x+1/2,z+1/2\", \"y+1/2,x+1/2,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h\", \"d c b a f e g h\", \"c d a b f e g h\", \"b a d c e f g h\", \"b a d c e f g h\", \"c d a b f e g h\", \"d c b a f e g h\", \"a b c d e f g h\", \"a b d c e f g h\", \"c d b a f e g h\", \"d c a b f e g h\", \"b a c d e f g h\", \"b a c d e f g h\", \"d c a b f e g h\", \"c d b a f e g h\", \"a b d c e f g h\"]}, \n\t\t\"59\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"y,x,z\", \"y+1/2,x,z\", \"y,x+1/2,z\", \"y,x,z+1/2\", \"y+1/2,x+1/2,z\", \"y+1/2,x,z+1/2\", \"y,x+1/2,z+1/2\", \"y+1/2,x+1/2,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g\", \"b a c d e f g\", \"b a c d e f g\", \"a b d c e f g\", \"a b c d e f g\", \"b a d c e f g\", \"b a d c e f g\", \"a b d c e f g\", \"a b c d f e g\", \"b a c d f e g\", \"b a c d f e g\", \"a b d c f e g\", \"a b c d f e g\", \"b a d c f e g\", \"b a d c f e g\", \"a b d c f e g\"]}, \n\t\t\"60\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d\", \"b a c d\", \"b a c d\", \"a b c d\", \"a b c d\", \"b a c d\", \"b a c d\", \"a b c d\"]}, \n\t\t\"61\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\", \"17\", \"18\", \"19\", \"20\", \"21\", \"22\", \"23\", \"24\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"z,x,y\", \"z+1/2,x,y\", \"z,x+1/2,y\", \"z,x,y+1/2\", \"z+1/2,x+1/2,y\", \"z+1/2,x,y+1/2\", \"z,x+1/2,y+1/2\", \"z+1/2,x+1/2,y+1/2\", \"y,z,x\", \"y+1/2,z,x\", \"y,z+1/2,x\", \"y,z,x+1/2\", \"y+1/2,z+1/2,x\", \"y+1/2,z,x+1/2\", \"y,z+1/2,x+1/2\", \"y+1/2,z+1/2,x+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c\", \"b a c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"a b c\", \"b a c\", \"a b c\", \"b a c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"a b c\", \"b a c\", \"a b c\", \"b a c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"a b c\", \"b a c\"]}, \n\t\t\"62\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z\", \"x+1/2,y,z+1/2\", \"x,y+1/2,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d\", \"b a c d\", \"a b c d\", \"b a c d\", \"b a c d\", \"a b c d\", \"b a c d\", \"a b c d\"]}, \n\t\t\"63\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y,z+1/2\", \"x+1/2,y,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null], \"Transformed WP\": [\"a b c d e f g h\", \"b a c d e f g h\", \"a b c d e f g h\", \"b a c d e f g h\"]}, \n\t\t\"64\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y,z+1/2\", \"x+1/2,y,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null], \"Transformed WP\": [\"a b c d e f g\", \"b a c d e f g\", \"b a c d e f g\", \"a b c d e f g\"]}, \n\t\t\"65\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y,z+1/2\", \"x+1/2,y,z+1/2\", \"y,x,z\", \"y+1/2,x,z\", \"y,x,z+1/2\", \"y+1/2,x,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i j k l m n o p q r\", \"b a d c e f g h i j l k m n o p q r\", \"d c b a f e h g j i k l m n o q p r\", \"c d a b f e h g j i l k m n o q p r\", \"a b c d e f i j g h k l m o n p q r\", \"b a d c e f i j g h l k m o n p q r\", \"d c b a f e j i h g k l m o n q p r\", \"c d a b f e j i h g l k m o n q p r\"]}, \n\t\t\"66\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y,z+1/2\", \"x+1/2,y,z+1/2\", \"y,x,z\", \"y+1/2,x,z\", \"y,x,z+1/2\", \"y+1/2,x,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i j k l m\", \"b a d c f e g h j i k l m\", \"a b c d f e g h i j k l m\", \"b a d c e f g h j i k l m\", \"a b c d e f h g i j k l m\", \"b a d c f e h g j i k l m\", \"a b c d f e h g i j k l m\", \"b a d c e f h g j i k l m\"]}, \n\t\t\"67\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y,z+1/2\", \"x+1/2,y,z+1/2\", \"y+1/4,x-1/4,z\", \"y+3/4,x-1/4,z\", \"y+1/4,x-1/4,z+1/2\", \"y+3/4,x-1/4,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i j k l m n o\", \"a b c d e f g h i j k l m n o\", \"b a d c f e g i h k j l m n o\", \"b a d c f e g i h k j l m n o\", \"a b e f c d g j k h i l n m o\", \"a b e f c d g j k h i l n m o\", \"b a f e d c g k j i h l n m o\", \"b a f e d c g k j i h l n m o\"]}, \n\t\t\"68\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y,z+1/2\", \"x+1/2,y,z+1/2\", \"y+1/4,x-1/4,z\", \"y+3/4,x-1/4,z\", \"y+1/4,x-1/4,z+1/2\", \"y+3/4,x-1/4,z+1/2\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i\", \"b a c d e f g h i\", \"b a c d e f g h i\", \"a b c d e f g h i\", \"a b d c f e g h i\", \"b a d c f e g h i\", \"b a d c f e g h i\", \"a b d c f e g h i\"]}, \n\t\t\"69\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\"], \"Coset Representative\": [\"x,y,z\", \"z,x,y\", \"y,z,x\", \"y,x,z\", \"z,y,x\", \"x,z,y\", \"x+1/2,y,z\", \"z+1/2,x,y\", \"y+1/2,z,x\", \"y+1/2,x,z\", \"z+1/2,y,x\", \"x+1/2,z,y\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i j k l m n o p\", \"a b e c d f i g h k l j o m n p\", \"a b d e c f h i g l j k n o m p\", \"a b d c e f h g i j l k n m o p\", \"a b e d c f i h g l k j o n m p\", \"a b c e d f g i h k j l m o n p\", \"b a c d e f g h i j k l m n o p\", \"b a e c d f i g h k l j o m n p\", \"b a d e c f h i g l j k n o m p\", \"b a d c e f h g i j l k n m o p\", \"b a e d c f i h g l k j o n m p\", \"b a c e d f g i h k j l m o n p\"]}, \n\t\t\"70\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\"], \"Coset Representative\": [\"x,y,z\", \"z,x,y\", \"y,z,x\", \"y,x,z\", \"z,y,x\", \"x,z,y\", \"x+1/2,y,z\", \"z+1/2,x,y\", \"y+1/2,z,x\", \"y+1/2,x,z\", \"z+1/2,y,x\", \"x+1/2,z,y\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h\", \"a b c d g e f h\", \"a b c d f g e h\", \"a b c d f e g h\", \"a b c d g f e h\", \"a b c d e g f h\", \"b a d c e f g h\", \"b a d c g e f h\", \"b a d c f g e h\", \"b a d c f e g h\", \"b a d c g f e h\", \"b a d c e g f h\"]}, \n\t\t\"71\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\", \"17\", \"18\", \"19\", \"20\", \"21\", \"22\", \"23\", \"24\"], \"Coset Representative\": [\"x,y,z\", \"z,x,y\", \"y,z,x\", \"y,x,z\", \"z,y,x\", \"x,z,y\", \"x+1/2,y,z\", \"z+1/2,x,y\", \"y+1/2,z,x\", \"y+1/2,x,z\", \"z+1/2,y,x\", \"x+1/2,z,y\", \"x,y+1/2,z\", \"z,x+1/2,y\", \"y,z+1/2,x\", \"y,x+1/2,z\", \"z,y+1/2,x\", \"x,z+1/2,y\", \"x+1/2,y+1/2,z\", \"z+1/2,x+1/2,y\", \"y+1/2,z+1/2,x\", \"y+1/2,x+1/2,z\", \"z+1/2,y+1/2,x\", \"x+1/2,z+1/2,y\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i j k l m n o\", \"a c d b i j e f g h k n l m o\", \"a d b c g h i j e f k m n l o\", \"a d c b g h e f i j k m l n o\", \"a c b d i j g h e f k n m l o\", \"a b d c e f i j g h k l n m o\", \"b a d c e f h g j i k l m n o\", \"c a b d i j f e h g k n l m o\", \"d a c b g h j i f e k m n l o\", \"d a b c g h f e j i k m l n o\", \"c a d b i j h g f e k n m l o\", \"b a c d e f j i h g k l n m o\", \"d c b a f e g h j i k l m n o\", \"b d c a j i e f h g k n l m o\", \"c b d a h g i j f e k m n l o\", \"b c d a h g e f j i k m l n o\", \"d b c a j i g h f e k n m l o\", \"c d b a f e i j h g k l n m o\", \"c d a b f e h g i j k l m n o\", \"d b a c j i f e g h k n l m o\", \"b c a d h g j i e f k m n l o\", \"c b a d h g f e i j k m l n o\", \"b d a c j i h g e f k n m l o\", \"d c a b f e j i g h k l n m o\"]},\n\t\t\"72\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x+1/2,y+1/2,z\", \"y,x,z\", \"y+1/2,x,z\", \"y,x+1/2,z\", \"y+1/2,x+1/2,z\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i j k\", \"b a d c e f g i h j k\", \"b a d c e f g i h j k\", \"a b c d e f g h i j k\", \"a b c d e g f h i j k\", \"b a d c e g f i h j k\", \"b a d c e g f i h j k\", \"a b c d e g f h i j k\"]}, \n\t\t\"73\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\", \"17\", \"18\", \"19\", \"20\", \"21\", \"22\", \"23\", \"24\"], \"Coset Representative\": [\"x,y,z\", \"z,x,y\", \"y,z,x\", \"y+1/4,x+1/4,z+1/4\", \"z+1/4,y+1/4,x+1/4\", \"x+1/4,z+1/4,y+1/4\", \"x+1/2,y,z\", \"z+1/2,x,y\", \"y+1/2,z,x\", \"y+3/4,x+1/4,z+1/4\", \"z+3/4,y+1/4,x+1/4\", \"x+3/4,z+1/4,y+1/4\", \"x,y+1/2,z\", \"z,x+1/2,y\", \"y,z+1/2,x\", \"y+1/4,x+3/4,z+1/4\", \"z+1/4,y+3/4,x+1/4\", \"x+1/4,z+3/4,y+1/4\", \"x+1/2,y+1/2,z\", \"z+1/2,x+1/2,y\", \"y+1/2,z+1/2,x\", \"y+3/4,x+3/4,z+1/4\", \"z+3/4,y+3/4,x+1/4\", \"x+3/4,z+3/4,y+1/4\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f\", \"a b e c d f\", \"a b d e c f\", \"b a d c e f\", \"b a e d c f\", \"b a c e d f\", \"a b c d e f\", \"a b e c d f\", \"a b d e c f\", \"b a d c e f\", \"b a e d c f\", \"b a c e d f\", \"a b c d e f\", \"a b e c d f\", \"a b d e c f\", \"b a d c e f\", \"b a e d c f\", \"b a c e d f\", \"a b c d e f\", \"a b e c d f\", \"a b d e c f\", \"b a d c e f\", \"b a e d c f\", \"b a c e d f\"]}, \n\t\t\"74\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z\", \"x,y+1/2,z\", \"x+1/2,y+1/2,z\", \"y+1/4,x-1/4,z+1/4\", \"y+3/4,x-1/4,z+1/4\", \"y+1/4,x+1/4,z+1/4\", \"y+3/4,x+1/4,z+1/4\"], \"Geometrical Interpretation\": [null, null, null, null, null, null, null, null], \"Transformed WP\": [\"a b c d e f g h i j\", \"b a c d e f g h i j\", \"a b d c e f g h i j\", \"b a d c e f g h i j\", \"c d b a e g f i h j\", \"d c b a e g f i h j\", \"c d a b e g f i h j\", \"d c a b e g f i h j\"]}, \n\t\t\"75\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"y,x,z\", \"y+1/2,x+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\", \"-y,-x,-z\", \"-y+1/2,-x+1/2,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"m x,x,z\", \"g (1/2,1/2,0) x,x,z\", \"-1 0,0,0\", \"-1 1/4,1/4,0\", \"2 x,-x,0\", \"2 x,-x+1/2,0\"], \"Transformed WP\": [\"a b c d\", \"b a c d\", \"a b c d\", \"b a c d\", \"a b c d\", \"b a c d\", \"a b c d\", \"b a c d\"]}, \n\t\t\"76\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"y,x,-z\", \"y+1/2,x+1/2,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"2 x,x,0\", \"2 (1/2,1/2,0) x,x,0\"], \"Transformed WP\": [\"a\", \"a\", \"a\", \"a\"]}, \n\t\t\"77\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"y,x,z\", \"y+1/2,x+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\", \"-y,-x,-z\", \"-y+1/2,-x+1/2,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"m x,x,z\", \"g (1/2,1/2,0) x,x,z\", \"-1 0,0,0\", \"-1 1/4,1/4,0\", \"2 x,-x,0\", \"2 x,-x+1/2,0\"], \"Transformed WP\": [\"a b c d\", \"b a c d\", \"a b c d\", \"b a c d\", \"a b c d\", \"b a c d\", \"a b c d\", \"b a c d\"]}, \n\t\t\"78\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"y,x,-z\", \"y+1/2,x+1/2,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"2 x,x,0\", \"2 (1/2,1/2,0) x,x,0\"], \"Transformed WP\": [\"a\", \"a\", \"a\", \"a\"]}, \n\t\t\"79\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\", \"y,x,z\", \"-y,-x,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\", \"m x,x,z\", \"2 x,-x,0\"], \"Transformed WP\": [\"a b c\", \"a b c\", \"a b c\", \"a b c\"]}, \n\t\t\"80\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"-x+1/2,-y,-z\", \"y,x,-z\", \"-y+1/2,-x,z\"], \"Geometrical Interpretation\": [\"1\", \"-1 1/4,0,0\", \"2 x,x,0\", \"g (1/4,-1/4,0) x+1/4,-x,z\"], \"Transformed WP\": [\"a b\", \"a b\", \"a b\", \"a b\"]}, \n\t\t\"81\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"y,x,z\", \"y+1/2,x+1/2,z\", \"y,x,z+1/2\", \"y+1/2,x+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y+1/2,-z+1/2\", \"-y,-x,-z\", \"-y+1/2,-x+1/2,-z\", \"-y,-x,-z+1/2\", \"-y+1/2,-x+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\", \"m x,x,z\", \"g (1/2,1/2,0) x,x,z\", \"c x,x,z\", \"n (1/2,1/2,1/2) x,x,z\", \"-1 0,0,0\", \"-1 1/4,1/4,0\", \"-1 0,0,1/4\", \"-1 1/4,1/4,1/4\", \"2 x,-x,0\", \"2 x,-x+1/2,0\", \"2 x,-x,1/4\", \"2 x,-x+1/2,1/4\"], \"Transformed WP\": [\"a b c d e f g h\", \"c d a b f e g h\", \"b a d c e f g h\", \"d c b a f e g h\", \"a b c d e f g h\", \"c d a b f e g h\", \"b a d c e f g h\", \"d c b a f e g h\", \"a b c d e f g h\", \"c d a b f e g h\", \"b a d c e f g h\", \"d c b a f e g h\", \"a b c d e f g h\", \"c d a b f e g h\", \"b a d c e f g h\", \"d c b a f e g h\"]}, \n\t\t\"82\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z+1/4\", \"x,y,z+1/2\", \"x+1/2,y,z+3/4\", \"-x,-y,-z\", \"-x+1/2,-y,-z+1/4\", \"-x,-y,-z+1/2\", \"-x+1/2,-y,-z+3/4\", \"y,x,z\", \"y+1/2,x,z+1/4\", \"y,x,z+1/2\", \"y+1/2,x,z+3/4\", \"-y,-x,-z\", \"-y+1/2,-x,-z+1/4\", \"-y,-x,-z+1/2\", \"-y+1/2,-x,-z+3/4\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,0,1/4)\", \"t (0,0,1/2)\", \"t (1/2,0,3/4)\", \"-1 0,0,0\", \"-1 1/4,0,1/8\", \"-1 0,0,1/4\", \"-1 1/4,0,3/8\", \"m x,x,z\", \"d (1/4,1/4,1/4) x+1/4,x,z\", \"c x,x,z\", \"d (1/4,1/4,3/4) x+1/4,x,z\", \"2 x,-x,0\", \"2 (1/4,-1/4,0) x,-x+1/4,1/8\", \"2 x,-x,1/4\", \"2 (1/4,-1/4,0) x,-x+1/4,3/8\"], \"Transformed WP\": [\"a b c d e f g \", \"c d b a f e g \", \"b a d c e f g\", \"d c a b f e g\", \"a b d c e f g \", \"d c b a f e g\", \"b a c d e f g \", \"c d a b f e g\", \"a b d c e f g \", \"d c b a f e g\", \"b a c d e f g \", \"c d a b f e g\", \"a b c d e f g \", \"c d b a f e g \", \"b a d c e f g\", \"d c a b f e g\"]}, \n\t\t\"83\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"y,x,z\", \"y+1/2,x+1/2,z\", \"y,x,z+1/2\", \"y+1/2,x+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\", \"m x,x,z\", \"g (1/2,1/2,0) x,x,z\", \"c x,x,z\", \"n (1/2,1/2,1/2) x,x,z\"], \"Transformed WP\": [\"a b c d e f g h i j k l\", \"c d a b e f h g i j k l\", \"b a d c f e g h i k j l\", \"d c b a f e h g i k j l\", \"a b c d e f g h i j k l\", \"c d a b e f h g i j k l\", \"b a d c f e g h i k j l\", \"d c b a f e h g i k j l\"]}, \n\t\t\"84\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"y,x,z\", \"y+1/2,x+1/2,z\", \"y,x,z+1/2\", \"y+1/2,x+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\", \"m x,x,z\", \"g (1/2,1/2,0) x,x,z\", \"c x,x,z\", \"n (1/2,1/2,1/2) x,x,z\"], \"Transformed WP\": [\"a b c d e f g h i j k\", \"b a d c f e h g i j k\", \"a b d c e f g h i j k\", \"b a c d f e h g i j k\", \"a b d c e f g h i j k\", \"b a c d f e h g i j k\", \"a b c d e f g h i j k\", \"b a d c f e h g i j k\"]}, \n\t\t\"85\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"y,x,z\", \"y+1/2,x+1/2,z\", \"y,x,z+1/2\", \"y+1/2,x+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\", \"m x,x,z\", \"g (1/2,1/2,0) x,x,z\", \"c x,x,z\", \"n (1/2,1/2,1/2) x,x,z\"], \"Transformed WP\": [\"a b c d e f g\", \"a b c d e f g\", \"b a c e d f g\", \"b a c e d f g\", \"a b c d e f g\", \"a b c d e f g\", \"b a c e d f g\", \"b a c e d f g\"]}, \n\t\t\"86\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"y,x,z\", \"y+1/2,x+1/2,z\", \"y,x,z+1/2\", \"y+1/2,x+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\", \"m x,x,z\", \"g (1/2,1/2,0) x,x,z\", \"c x,x,z\", \"n (1/2,1/2,1/2) x,x,z\"], \"Transformed WP\": [\"a b c d e f g\", \"b a c d e f g\", \"b a d c e f g\", \"a b d c e f g\", \"a b c d e f g\", \"b a c d e f g\", \"b a d c e f g\", \"a b d c e f g\"]}, \n\t\t\"87\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"y,x,z\", \"y,x,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"m x,x,z\", \"c x,x,z\"], \"Transformed WP\": [\"a b c d e f g h i\", \"b a c d e f g h i\", \"a b c d e f g h i\", \"b a c d e f g h i\"]}, \n\t\t\"88\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"y+1/4,x+1/4,z+1/4\", \"y+1/4,x+1/4,z+3/4\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"d (1/4,1/4,1/4) x,x,z\", \"d (1/4,1/4,3/4) x,x,z\"], \"Transformed WP\": [\"a b c d e f\", \"b a d c e f\", \"a b c d e f\", \"b a d c e f\"]}, \n\t\t\"89\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\", \"-1 0,0,1/4\", \"-1 1/4,1/4,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j k l m n o p\", \"c d a b e f h g i j k o n m l p\", \"b a d c f e g h i k j n o l m p\", \"d c b a f e h g i k j m l o n p\", \"a b c d e f g h i j k l m n o p\", \"c d a b e f h g i j k o n m l p\", \"b a d c f e g h i k j n o l m p\", \"d c b a f e h g i k j m l o n p\"]}, \n\t\t\"90\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\", \"-1 0,0,1/4\", \"-1 1/4,1/4,1/4\"], \"Transformed WP\": [\"a b c d e f g\", \"a b c d e f g\", \"b a c d f e g\", \"b a c d f e g\", \"a b c d e f g\", \"a b c d e f g\", \"b a c d f e g\", \"b a c d f e g\"]}, \n\t\t\"91\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d\", \"b a c d\", \"a b c d\", \"b a c d\"]}, \n\t\t\"92\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b\", \"a b\", \"a b\", \"a b\"]}, \n\t\t\"93\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\", \"-1 0,0,1/4\", \"-1 1/4,1/4,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j k l m n o p\", \"b a d c f e h g i m l k j n o p\", \"a b d c e f g h i l m j k o n p\", \"b a c d f e h g i k j m l o n p\", \"a b c d e f g h i j k l m o n p\", \"b a d c f e h g i m l k j o n p\", \"a b d c e f g h i l m j k n o p\", \"b a c d f e h g i k j m l n o p\"]}, \n\t\t\"94\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\", \"-1 0,0,1/4\", \"-1 1/4,1/4,1/4\"], \"Transformed WP\": [\"a b c d e f g\", \"b a c d e f g\", \"b a c d f e g\", \"a b c d f e g\", \"a b c d e f g\", \"b a c d e f g\", \"b a c d f e g\", \"a b c d f e g\"]}, \n\t\t\"95\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d\", \"b a c d\", \"a b c d\", \"b a c d\"]}, \n\t\t\"96\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b\", \"a b\", \"a b\", \"a b\"]}, \n\t\t\"97\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x,-y,-z\", \"-x,-y,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"-1 0,0,0\", \"-1 0,0,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j k\", \"b a c d e f g i h j k\", \"a b c d e f g h i j k\", \"b a c d e f g i h j k\"]}, \n\t\t\"98\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x+1/2,-y,-z+1/4\", \"-x+1/2,-y,-z+3/4\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"-1 1/4,0,1/8\", \"-1 1/4,0,3/8\"], \"Transformed WP\": [\"a b c d e f g\", \"b a c d e f g\", \"b a c e d f g\", \"a b c e d f g\"]}, \n\t\t\"99\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\"], \"Transformed WP\": [\"a b c d e f g\", \"b a c d f e g\", \"a b c d e f g\", \"b a c d f e g\"]}, \n\t\t\"100\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\"], \"Transformed WP\": [\"a b c d\", \"a b c d\", \"a b c d\", \"a b c d\"]}, \n\t\t\"101\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\"], \"Transformed WP\": [\"a b c d e\", \"b a c d e\", \"a b c d e\", \"b a c d e\"]}, \n\t\t\"102\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\"], \"Transformed WP\": [\"a b c d\", \"a b c d\", \"a b c d\", \"a b c d\"]}, \n\t\t\"103\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\"], \"Transformed WP\": [\"a b c d\", \"b a c d\", \"a b c d\", \"b a c d\"]}, \n\t\t\"104\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\"], \"Transformed WP\": [\"a b c\", \"a b c\", \"a b c\", \"a b c\"]}, \n\t\t\"105\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\"], \"Transformed WP\": [\"a b c d e f\", \"b a c e d f\", \"a b c d e f\", \"b a c e d f\"]}, \n\t\t\"106\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\"], \"Transformed WP\": [\"a b c\", \"a b c\", \"a b c\", \"a b c\"]}, \n\t\t\"107\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\"], \"Transformed WP\": [\"a b c d e\", \"a b c d e\"]}, \n\t\t\"108\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\"], \"Transformed WP\": [\"a b c d\", \"a b c d\"]}, \n\t\t\"109\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"-x+1/2,-y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 1/4,0,0\"], \"Transformed WP\": [\"a b c\", \"a b c\"]}, \n\t\t\"110\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"-x+1/2,-y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 1/4,0,0\"], \"Transformed WP\": [\"a b\", \"a b\"]}, \n\t\t\"111\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\", \"-1 0,0,1/4\", \"-1 1/4,1/4,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j k l m n o\", \"d c b a e f h g l k j i m n o\", \"c d a b f e g h k l i j m n o \", \"b a d c f e h g j i l k m n o\", \"a b c d e f g h i j k l m n o\", \"d c b a e f h g l k j i m n o\", \"c d a b f e g h k l i j m n o \", \"b a d c f e h g j i l k m n o\"]}, \n\t\t\"112\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\", \"-1 0,0,1/4\", \"-1 1/4,1/4,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j k l m n\", \"c d a b f e i j g h l k m n\", \"a d c b e f j i h g k l m n\", \"c b a d f e h g j i l k m n\", \"a d c b e f j i h g k l m n\", \"c b a d f e h g j i l k m n\", \"a b c d e f g h i j k l m n\", \"c d a b f e i j g h l k m n\"]}, \n\t\t\"113\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\", \"-1 0,0,1/4\", \"-1 1/4,1/4,1/4\"], \"Transformed WP\": [\"a b c d e f\", \"a b c d e f\", \"b a c d e f\", \"b a c d e f\", \"a b c d e f\", \"a b c d e f\", \"b a c d e f\", \"b a c d e f\"]}, \n\t\t\"114\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\", \"-1 0,0,1/4\", \"-1 1/4,1/4,1/4\"], \"Transformed WP\": [\"a b c d e\", \"b a c d e\", \"b a c d e\", \"a b c d e\", \"a b c d e\", \"b a c d e\", \"b a c d e\", \"a b c d e\"]}, \n\t\t\"115\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\", \"-1 0,0,1/4\", \"-1 1/4,1/4,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j k l\", \"b a d c f e g h i k j l\", \"d c b a e f g i h j k l\", \"c d a b f e g i h k j l\", \"a b c d e f g h i j k l\", \"b a d c f e g h i k j l\", \"d c b a e f g i h j k l\", \"c d a b f e g i h k j l\"]}, \n\t\t\"116\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\", \"-1 0,0,1/4\", \"-1 1/4,1/4,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j\", \"b a d c e f h g i j\", \"a b c d f e g h i j\", \"b a d c f e h g i j\", \"a b c d f e g h i j\", \"b a d c f e h g i j\", \"a b c d e f g h i j\", \"b a d c e f h g i j\"]}, \n\t\t\"117\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\", \"-1 0,0,1/4\", \"-1 1/4,1/4,1/4\"], \"Transformed WP\": [\"a b c d e f g h i\", \"a b c d e f g h i\", \"b a d c e f h g i\", \"b a d c e f h g i\", \"a b c d e f g h i\", \"a b c d e f g h i\", \"b a d c e f h g i\", \"b a d c e f h g i\"]}, \n\t\t\"118\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,0\", \"-1 0,0,1/4\", \"-1 1/4,1/4,1/4\"], \"Transformed WP\": [\"a b c d e f g h i \", \"b a d c e f g h i \", \"b a d c e g f h i \", \"a b c d e g f h i\", \"a b d c e g f h i \", \"b a c d e g f h i \", \"b a c d e f g h i \", \"a b d c e f g h i\"]}, \n\t\t\"119\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y,z+1/4\", \"x,y,z+1/2\", \"x+1/2,y,z+3/4\", \"-x,-y,-z\", \"-x+1/2,-y,-z+1/4\", \"-x,-y,-z+1/2\", \"-x+1/2,-y,-z+3/4\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,0,1/4)\", \"t (0,0,1/2)\", \"t (1/2,0,3/4)\", \"-1 0,0,0\", \"-1 1/4,0,1/8\", \"-1 0,0,1/4\", \"-1 1/4,0,3/8\"], \"Transformed WP\": [\"a b c d e f g h i j\", \"c d b a f e h g i j\", \"b a d c e f g h i j\", \"d c a b f e h g i j\", \"a b d c e f g h i j\", \"d c b a f e h g i j\", \"b a c d e f g h i j\", \"c d a b f e h g i j\"]}, \n\t\t\"120\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"x+1/2,y,z+1/4\", \"x+1/2,y,z+3/4\", \"-x,-y,-z\", \"-x,-y,-z+1/2\", \"-x+1/2,-y,-z+1/4\", \"-x+1/2,-y,-z+3/4\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"t (1/2,0,1/4)\", \"t (1/2,0,3/4)\", \"-1 0,0,0\", \"-1 0,0,1/4\", \"-1 1/4,0,1/8\", \"-1 1/4,0,3/8\"], \"Transformed WP\": [\"a b c d e f g h i\", \"a b c d e f g h i\", \"d c b a h g f e i\", \"d c b a h g f e i\", \"a b c d e f g h i\", \"a b c d e f g h i\", \"d c b a h g f e i\", \"d c b a h g f e i\"]}, \n\t\t\"121\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x,-y,-z\", \"-x,-y,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"-1 0,0,0\", \"-1 0,0,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j \", \"b a c d e g f h i j\", \"a b c d e f g h i j \", \"b a c d e g f h i j\"]}, \n\t\t\"122\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x+1/2,-y,-z+1/4\", \"-x+1/2,-y,-z+3/4\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"-1 1/4,0,1/8\", \"-1 1/4,0,3/8\"], \"Transformed WP\": [\"a b c d e\", \"b a c d e\", \"b a c d e\", \"a b c d e\"]}, \n\t\t\"123\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l m n o p q r s t u\", \"c d a b e f h g i j k n o l m p q r t s u\", \"b a d c f e g h i k j m l o n q p r s t u\", \"d c b a f e h g i k j o n m l q p r t s u\"]}, \n\t\t\"124\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l m n\", \"c d a b e f h g i j l k m n\", \"a b c d e f g h i j k l m n\", \"c d a b e f h g i j l k m n\"]}, \n\t\t\"125\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l m n\", \"a b c d e f g h i j k l m n\", \"b a d c f e g h j i l k m n\", \"b a d c f e g h j i l k m n\"]}, \n\t\t\"126\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k\", \"b a c d e f g h j i k\", \"b a c d e f g h j i k\", \"a b c d e f g h i j k\"]}, \n\t\t\"127\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l\", \"a b c d e f g h i j k l\", \"b a d c e f h g j i k l\", \"b a d c e f h g j i k l\"]}, \n\t\t\"128\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i\", \"b a c d e f g h i\", \"b a c d e f g h i\", \"a b c d e f g h i\"]}, \n\t\t\"129\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k\", \"a b c d e f g h i j k\", \"b a c e d f h g i j k\", \"b a c e d f h g i j k\"]}, \n\t\t\"130\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g\", \"a b c d e f g\", \"a b c d e f g\", \"a b c d e f g\"]}, \n\t\t\"131\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l m n o p q r\", \"b a d c f e h g i m l k j n p o q r\", \"a b d c e f g h i l m j k n o p q r\", \"b a c d f e h g i k j m l n p o q r\"]}, \n\t\t\"132\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l m n o p\", \"c d a b e f h g i j k m l n o p\", \"a b c d e f g h j i k l m n o p\", \"c d a b e f h g j i k m l n o p\"]}, \n\t\t\"133\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k\", \"a b c d e f g h i j k\", \"a b c d e f g i h j k\", \"a b c d e f g i h j k\"]}, \n\t\t\"134\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l m n\", \"b a c d e f g h j i k l m n\", \"b a c d f e g h j i l k m n\", \"a b c d f e g h i j l k m n\"]}, \n\t\t\"135\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i\", \"a b c d e f g h i\", \"a b c d e f g h i\", \"a b c d e f g h i\"]}, \n\t\t\"136\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k\", \"b a c d e f g h i j k\", \"b a c d e g f h i j k\", \"a b c d e g f h i j k\"]}, \n\t\t\"137\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h\", \"b a c d e f g h\", \"b a c d e f g h\", \"a b c d e f g h\"]}, \n\t\t\"138\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z\", \"x,y,z+1/2\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,0)\", \"t (0,0,1/2)\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j\", \"a b c d e f g h i j\", \"a b d c e f h g i j\", \"a b d c e f h g i j\"]}, \n\t\t\"139\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l m n o\", \"b a c d e f g h j i k l m n o\"]}, \n\t\t\"140\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l m\", \"a b c d e f g h i j k l m\"]}, \n\t\t\"141\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i\", \"b a d c e f g h i\"]}, \n\t\t\"142\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\"], \"Transformed WP\": [\"a b c d e f g\", \"a b c d e f g\"]}, \n\t\t\"143\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\", \"17\", \"18\", \"19\", \"20\", \"21\", \"22\", \"23\", \"24\"], \"Coset Representative\": [\"x,y,z\", \"x+2/3,y+1/3,z\", \"x+1/3,y+2/3,z\", \"-x,-y,-z\", \"-x+2/3,-y+1/3,-z\", \"-x+1/3,-y+2/3,-z\", \"-x,-y,z\", \"-x+2/3,-y+1/3,z\", \"-x+1/3,-y+2/3,z\", \"x,y,-z\", \"x+2/3,y+1/3,-z\", \"x+1/3,y+2/3,-z\", \"y,x,z\", \"y+2/3,x+1/3,z\", \"y+1/3,x+2/3,z\", \"-y,-x,-z\", \"-y+2/3,-x+1/3,-z\", \"-y+1/3,-x+2/3,-z\", \"-y,-x,z\", \"-y+2/3,-x+1/3,z\", \"-y+1/3,-x+2/3,z\", \"y,x,-z\", \"y+1/3,x+2/3,-z\", \"y+2/3,x+1/3,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (2/3,1/3,0)\", \"t (1/3,2/3,0)\", \"-1 0,0,0\", \"-1 1/3,1/6,0\", \"-1 1/6,1/3,0\", \"2 0,0,z\", \"2 1/3,1/6,z\", \"2 1/6,1/3,z\", \"m x,y,0\", \"g (2/3,1/3,0) x,y,0\", \"g (1/3,2/3,0) x,y,0\", \"m x,x,z\", \"g (1/2,1/2,0) x+1/6,x,z\", \"g (1/2,1/2,0) x-1/6,x,z\", \"2 x,-x,0\", \"2 (1/6,-1/6,0) x,-x+1/2,0\", \"2 (-1/6,1/6,0) x,-x+1/2,0\", \"m x,-x,z\", \"g (1/6,-1/6,0) x+1/2,-x,z\", \"g (-1/6,1/6,0) x+1/2,-x,z\", \"2 x,x,0\", \"2 (1/2,1/2,0) x,x+1/6,0\", \"2 (1/2,1/2,0) x,x-1/6,0\"], \"Transformed WP\": [\"a b c d\", \"b c a d\", \"c a b d\", \"a c b d\", \"c b a d\", \"b a c d\", \"a c b d\", \"c b a d\", \"b a c d\", \"a b c d\", \"b c a d\", \"c a b d\", \"a c b d\", \"c b a d\", \"b a c d\", \"a b c d\", \"b c a d\", \"c a b d\", \"a b c d\", \"b c a d\", \"c a b d\", \"a c b d\", \"b a c d\", \"c b a d\"]}, \n\t\t\"144\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\"], \"Coset Representative\": [\"x,y,z\", \"x+2/3,y+1/3,z\", \"x+1/3,y+2/3,z\", \"-x,-y,z\", \"-x+2/3,-y+1/3,z\", \"-x+1/3,-y+2/3,z\", \"y,x,-z\", \"y+2/3,x+1/3,-z\", \"y+1/3,x+2/3,-z\", \"-y,-x,-z\", \"-y+2/3,-x+1/3,-z\", \"-y+1/3,-x+2/3,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (2/3,1/3,0)\", \"t (1/3,2/3,0)\", \"2 0,0,z\", \"2 1/3,1/6,z\", \"2 1/6,1/3,z\", \"2 x,x,0\", \"2 (1/2,1/2,0) x,x-1/6,0\", \"2 (1/2,1/2,0) x,x+1/6,0\", \"2 x,-x,0\", \"2 (1/6,-1/6,0) x,-x+1/2,0\", \"2 (-1/6,1/6,0) x,-x+1/2,0\"], \"Transformed WP\": [\"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\"]}, \n\t\t\"145\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\"], \"Coset Representative\": [\"x,y,z\", \"x+2/3,y+1/3,z\", \"x+1/3,y+2/3,z\", \"-x,-y,z\", \"-x+2/3,-y+1/3,z\", \"-x+1/3,-y+2/3,z\", \"y,x,-z\", \"y+2/3,x+1/3,-z\", \"y+1/3,x+2/3,-z\", \"-y,-x,-z\", \"-y+2/3,-x+1/3,-z\", \"-y+1/3,-x+2/3,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (2/3,1/3,0)\", \"t (1/3,2/3,0)\", \"2 0,0,z\", \"2 1/3,1/6,z\", \"2 1/6,1/3,z\", \"2 x,x,0\", \"2 (1/2,1/2,0) x,x-1/6,0\", \"2 (1/2,1/2,0) x,x+1/6,0\", \"2 x,-x,0\", \"2 (1/6,-1/6,0) x,-x+1/2,0\", \"2 (-1/6,1/6,0) x,-x+1/2,0\"], \"Transformed WP\": [\"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\", \"a\"]}, \n\t\t\"146\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\", \"-y,-x,z\", \"y,x,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\", \"m x,-x,z\", \"2 x,x,0\"], \"Transformed WP\": [\"a b \", \"a b \", \"a b \", \"a b \"]}, \n\t\t\"147\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x,-y,z\", \"-x,-y,z+1/2\", \"y,x,z\", \"y,x,z+1/2\", \"-y,-x,z\", \"-y,-x,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"2 0,0,z\", \"2 (0,0,1/2) 0,0,z\", \"m x,x,z\", \"c x,x,z\", \"m x,-x,z\", \"c x,-x,z\"], \"Transformed WP\": [\"a b c d e f g\", \"b a c d f e g\", \"a b c d e f g\", \"b a c d f e g\", \"a b c d e f g\", \"b a c d f e g\", \"a b c d e f g\", \"b a c d f e g\"]}, \n\t\t\"148\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-y,-x,z\", \"-y,-x,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"m x,-x,z\", \"c x,-x,z\"], \"Transformed WP\": [\"a b c d e f\", \"b a c e d f\", \"a b c d e f\", \"b a c e d f\"]}, \n\t\t\"149\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\", \"17\", \"18\", \"19\", \"20\", \"21\", \"22\", \"23\", \"24\"], \"Coset Representative\": [\"x,y,z\", \"x+2/3,y+1/3,z\", \"x+1/3,y+2/3,z\", \"x,y,z+1/2\", \"x+2/3,y+1/3,z+1/2\", \"x+1/3,y+2/3,z+1/2\", \"-x,-y,z\", \"-x+2/3,-y+1/3,z\", \"-x+1/3,-y+2/3,z\", \"-x,-y,z+1/2\", \"-x+2/3,-y+1/3,z+1/2\", \"-x+1/3,-y+2/3,z+1/2\", \"-x,-y,-z\", \"-x+2/3,-y+1/3,-z\", \"-x+1/3,-y+2/3,-z\", \"-x,-y,-z+1/2\", \"-x+2/3,-y+1/3,-z+1/2\", \"-x+1/3,-y+2/3,-z+1/2\", \"x,y,-z\", \"x+2/3,y+1/3,-z\", \"x+1/3,y+2/3,-z\", \"x,y,-z+1/2\", \"x+2/3,y+1/3,-z+1/2\", \"x+1/3,y+2/3,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (2/3,1/3,0)\", \"t (1/3,2/3,0)\", \"t (0,0,1/2)\", \"t (2/3,1/3,1/2)\", \"t (1/3,2/3,1/2)\", \"2 0,0,z\", \"2 1/3,1/6,z\", \"2 1/6,1/3,z\", \"2 (0,0,1/2) 0,0,z\", \"2 (0,0,1/2) 1/3,1/6,z\", \"2 (0,0,1/2) 1/6,1/3,z\", \"-1 0,0,0\", \"-1 1/3,1/6,0\", \"-1 1/6,1/3,0\", \"-1 0,0,1/4\", \"-1 1/3,1/6,1/4\", \"-1 1/6,1/3,1/4\", \"m x,y,0\", \"g (2/3,1/3,0) x,y,0\", \"g (1/3,2/3,0) x,y,0\", \"m x,y,1/4\", \"g (2/3,1/3,0) x,y,1/4\", \"g (1/3,2/3,0) x,y,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j k l\", \"c d e f a b h i g j k l\", \"e f a b c d i g h j k l\", \"b a d c f e g h i k j l\", \"d c f e b a h i g k j l\", \"f e b a d c i g h k j l\", \"a b e f c d g i h j k l\", \"e f c d a b i h g j k l\", \"c d a b e f h g i j k l\", \"b a f e d c g i h k j l\", \"f e d c b a i h g k j l\", \"d c b a f e h g i k j l\", \"a b e f c d g i h j k l\", \"e f c d a b i h g j k l\", \"c d a b e f h g i j k l\", \"b a f e d c g i h k j l\", \"f e d c b a i h g k j l\", \"d c b a f e h g i k j l\", \"a b c d e f g h i j k l\", \"c d e f a b h i g j k l\", \"e f a b c d i g h j k l\", \"b a d c f e g h i k j l\", \"d c f e b a h i g k j l\", \"f e b a d c i g h k j l\"]}, \n\t\t\"150\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x,-y,z\", \"-x,-y,z+1/2\", \"-x,-y,-z\", \"-x,-y,-z+1/2\", \"x,y,-z\", \"x,y,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"2 0,0,z\", \"2 (0,0,1/2) 0,0,z\", \"-1 0,0,0\", \"-1 0,0,1/4\", \"m x,y,0\", \"m x,y,1/4\"], \"Transformed WP\": [\"a b c d e f g\", \"b a c d f e g\", \"a b c d e f g\", \"b a c d f e g\", \"a b c d e f g\", \"b a c d f e g\", \"a b c d e f g\", \"b a c d f e g\"]}, \n\t\t\"151\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\"], \"Coset Representative\": [\"x,y,z\", \"x+2/3,y+1/3,z\", \"x+1/3,y+2/3,z\", \"x,y,z+1/2\", \"x+2/3,y+1/3,z+1/2\", \"x+1/3,y+2/3,z+1/2\", \"-x,-y,z\", \"-x+2/3,-y+1/3,z\", \"-x+1/3,-y+2/3,z\", \"-x,-y,z+1/2\", \"-x+2/3,-y+1/3,z+1/2\", \"-x+1/3,-y+2/3,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (2/3,1/3,0)\", \"t (1/3,2/3,0)\", \"t (0,0,1/2)\", \"t (2/3,1/3,1/2)\", \"t (1/3,2/3,1/2)\", \"2 0,0,z\", \"2 1/3,1/6,z\", \"2 1/6,1/3,z\", \"2 (0,0,1/2) 0,0,z\", \"2 (0,0,1/2) 1/3,1/6,z\", \"2 (0,0,1/2) 1/6,1/3,z\"], \"Transformed WP\": [\"a b c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"b a c\"]}, \n\t\t\"152\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x,-y,z\", \"-x,-y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"2 0,0,z\", \"2 (0,0,1/2) 0,0,z\"], \"Transformed WP\": [\"a b c\", \"b a c\", \"a b c\", \"b a c\"]}, \n\t\t\"153\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\"], \"Coset Representative\": [\"x,y,z\", \"x+2/3,y+1/3,z\", \"x+1/3,y+2/3,z\", \"x,y,z+1/2\", \"x+2/3,y+1/3,z+1/2\", \"x+1/3,y+2/3,z+1/2\", \"-x,-y,z\", \"-x+2/3,-y+1/3,z\", \"-x+1/3,-y+2/3,z\", \"-x,-y,z+1/2\", \"-x+2/3,-y+1/3,z+1/2\", \"-x+1/3,-y+2/3,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (2/3,1/3,0)\", \"t (1/3,2/3,0)\", \"t (0,0,1/2)\", \"t (2/3,1/3,1/2)\", \"t (1/3,2/3,1/2)\", \"2 0,0,z\", \"2 1/3,1/6,z\", \"2 1/6,1/3,z\", \"2 (0,0,1/2) 0,0,z\", \"2 (0,0,1/2) 1/3,1/6,z\", \"2 (0,0,1/2) 1/6,1/3,z\"], \"Transformed WP\": [\"a b c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"b a c\", \"a b c\", \"a b c\", \"a b c\", \"b a c\", \"b a c\", \"b a c\"]}, \n\t\t\"154\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x,-y,z\", \"-x,-y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"2 0,0,z\", \"2 (0,0,1/2) 0,0,z\"], \"Transformed WP\": [\"a b c\", \"b a c\", \"a b c\", \"b a c\"]}, \n\t\t\"155\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x,-y,-z\", \"-x,-y,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"-1 0,0,0\", \"-1 0,0,1/4\"], \"Transformed WP\": [\"a b c d e f\", \"b a c e d f\", \"a b c d e f\", \"b a c e d f\"]}, \n\t\t\"156\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\"], \"Coset Representative\": [\"x,y,z\", \"x+2/3,y+1/3,z\", \"x+1/3,y+2/3,z\", \"-x,-y,-z\", \"-x+2/3,-y+1/3,-z\", \"-x+1/3,-y+2/3,-z\", \"-x,-y,z\", \"-x+2/3,-y+1/3,z\", \"-x+1/3,-y+2/3,z\", \"x,y,-z\", \"x+2/3,y+1/3,-z\", \"x+1/3,y+2/3,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (2/3,1/3,0)\", \"t (1/3,2/3,0)\", \"-1 0,0,0\", \"-1 1/3,1/6,0\", \"-1 1/6,1/3,0\", \"2 0,0,z\", \"2 1/3,1/6,z\", \"2 1/6,1/3,z\", \"m x,y,0\", \"g (2/3,1/3,0) x,y,0\", \"g (1/3,2/3,0) x,y,0\"], \"Transformed WP\": [\"a b c d e\", \"b c a d e\", \"c a b d e\", \"a c b d e\", \"c b a d e\", \"b a c d e\", \"a c b d e\", \"c b a d e\", \"b a c d e\", \"a b c d e\", \"b c a d e\", \"c a b d e\"]}, \n\t\t\"157\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\", \"-x,-y,z\", \"x,y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\", \"2 0,0,z\", \"m x,y,0\"], \"Transformed WP\": [\"a b c d\", \"a b c d\", \"a b c d\", \"a b c d\"]}, \n\t\t\"158\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\"], \"Coset Representative\": [\"x,y,z\", \"x+2/3,y+1/3,z\", \"x+1/3,y+2/3,z\", \"-x,-y,-z\", \"-x+2/3,-y+1/3,-z\", \"-x+1/3,-y+2/3,-z\", \"-x,-y,z\", \"-x+2/3,-y+1/3,z\", \"-x+1/3,-y+2/3,z\", \"x,y,-z\", \"x+2/3,y+1/3,-z\", \"x+1/3,y+2/3,-z\"], \"Geometrical Interpretation\": [\"1\", \"t (2/3,1/3,0)\", \"t (1/3,2/3,0)\", \"-1 0,0,0\", \"-1 1/3,1/6,0\", \"-1 1/6,1/3,0\", \"2 0,0,z\", \"2 1/3,1/6,z\", \"2 1/6,1/3,z\", \"m x,y,0\", \"g (2/3,1/3,0) x,y,0\", \"g (1/3,2/3,0) x,y,0\"], \"Transformed WP\": [\"a b c d\", \"b c a d\", \"c a b d\", \"a c b d\", \"c b a d\", \"b a c d\", \"a c b d\", \"c b a d\", \"b a c d\", \"a b c d\", \"b c a d\", \"c a b d\"]}, \n\t\t\"159\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\", \"-x,-y,z\", \"x,y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\", \"2 0,0,z\", \"m x,y,0\"], \"Transformed WP\": [\"a b c\", \"a b c\", \"a b c\", \"a b c\"]}, \n\t\t\"160\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\"], \"Transformed WP\": [\"a b c \", \"a b c \"]}, \n\t\t\"161\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\"], \"Transformed WP\": [\"a b \", \"a b \"]}, \n\t\t\"162\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x,-y,z\", \"-x,-y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"2 0,0,z\", \"2 (0,0,1/2) 0,0,z\"], \"Transformed WP\": [\"a b c d e f g h i j k l\", \"b a d c e g f h j i k l\", \"a b c d e f g h i j k l\", \"b a d c e g f h j i k l\"]}, \n\t\t\"163\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x,-y,z\", \"-x,-y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"2 0,0,z\", \"2 (0,0,1/2) 0,0,z\"], \"Transformed WP\": [\"a b c d e f g h i\", \"a b d c e f g h i\", \"a b d c e f g h i\", \"a b c d e f g h i\"]}, \n\t\t\"164\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x,-y,z\", \"-x,-y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"2 0,0,z\", \"2 (0,0,1/2) 0,0,z\"], \"Transformed WP\": [\"a b c d e f g h i j\", \"b a c d f e h g i j\", \"a b c d e f g h i j\", \"b a c d f e h g i j\"]}, \n\t\t\"165\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x,-y,z\", \"-x,-y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"2 0,0,z\", \"2 (0,0,1/2) 0,0,z\"], \"Transformed WP\": [\"a b c d e f g\", \"a b c d e f g\", \"a b c d e f g\", \"a b c d e f g\"]}, \n\t\t\"166\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i\", \"b a c e d g f h i\"]}, \n\t\t\"167\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\"], \"Transformed WP\": [\"a b c d e f\", \"a b c d e f\"]}, \n\t\t\"168\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\", \"y,x,z\", \"-y,-x,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\", \"m x,x,z\", \"2 x,-x,0\"], \"Transformed WP\": [\"a b c d\", \"a b c d\", \"a b c d\", \"a b c d\"]}, \n\t\t\"169\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"y,x,-z\"], \"Geometrical Interpretation\": [\"1\", \"2 x,x,0\"], \"Transformed WP\": [\"a\", \"a\"]}, \n\t\t\"170\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"y,x,-z\"], \"Geometrical Interpretation\": [\"1\", \"2 x,x,0\"], \"Transformed WP\": [\"a\", \"a\"]}, \n\t\t\"171\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"y,x,-z\"], \"Geometrical Interpretation\": [\"1\", \"2 x,x,0\"], \"Transformed WP\": [\"a b c\", \"a b c\"]}, \n\t\t\"172\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"y,x,-z\"], \"Geometrical Interpretation\": [\"1\", \"2 x,x,0\"], \"Transformed WP\": [\"a b c\", \"a b c\"]}, \n\t\t\"173\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\", \"y,x,z\", \"-y,-x,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\", \"m x,x,z\", \"2 x,-x,0\"], \"Transformed WP\": [\"a b c\", \"a b c\", \"a b c\", \"a b c\"]}, \n\t\t\"174\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\", \"17\", \"18\", \"19\", \"20\", \"21\", \"22\", \"23\", \"24\"], \"Coset Representative\": [\"x,y,z\", \"x+2/3,y+1/3,z\", \"x+1/3,y+2/3,z\", \"x,y,z+1/2\", \"x+2/3,y+1/3,z+1/2\", \"x+1/3,y+2/3,z+1/2\", \"-x,-y,-z\", \"-x+2/3,-y+1/3,-z\", \"-x+1/3,-y+2/3,-z\", \"-x,-y,-z+1/2\", \"-x+2/3,-y+1/3,-z+1/2\", \"-x+1/3,-y+2/3,-z+1/2\", \"y,x,z\", \"y+2/3,x+1/3,z\", \"y+1/3,x+2/3,z\", \"y,x,z+1/2\", \"y+2/3,x+1/3,z+1/2\", \"y+1/3,x+2/3,z+1/2\", \"-y,-x,-z\", \"-y+2/3,-x+1/3,-z\", \"-y+1/3,-x+2/3,-z\", \"-y,-x,-z+1/2\", \"-y+2/3,-x+1/3,-z+1/2\", \"-y+1/3,-x+2/3,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (2/3,1/3,0)\", \"t (1/3,2/3,0)\", \"t (0,0,1/2)\", \"t (2/3,1/3,1/2)\", \"t (1/3,2/3,1/2)\", \"-1 0,0,0\", \"-1 1/3,1/6,0\", \"-1 1/6,1/3,0\", \"-1 0,0,1/4\", \"-1 1/3,1/6,1/4\", \"-1 1/6,1/3,1/4\", \"m x,x,z\", \"g (1/2,1/2,0) x+1/6,x,z\", \"g (1/2,1/2,0) x-1/6,x,z\", \"c x,x,z\", \"n (1/2,1/2,1/2) x+1/6,x,z\", \"n (1/2,1/2,1/2) x-1/6,x,z\", \"2 x,-x,0\", \"2 (1/6,-1/6,0) x,-x+1/2,0\", \"2 (-1/6,1/6,0) x,-x+1/2,0\", \"2 x,-x,1/4\", \"2 (1/6,-1/6,0) x,-x+1/2,1/4\", \"2 (-1/6,1/6,0) x,-x+1/2,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j k l\", \"c d e f a b h i g j k l\", \"e f a b c d i g h j k l\", \"b a d c f e g h i k j l\", \"d c f e b a h i g k j l\", \"f e b a d c i g h k j l\", \"a b e f c d g i h j k l\", \"e f c d a b i h g j k l\", \"c d a b e f h g i j k l\", \"b a f e d c g i h k j l\", \"f e d c b a i h g k j l\", \"d c b a f e h g i k j l\", \"a b e f c d g i h j k l\", \"e f c d a b i h g j k l\", \"c d a b e f h g i j k l\", \"b a f e d c g i h k j l\", \"f e d c b a i h g k j l\", \"d c b a f e h g i k j l\", \"a b c d e f g h i j k l\", \"c d e f a b h i g j k l\", \"e f a b c d i g h j k l\", \"b a d c f e g h i k j l\", \"d c f e b a h i g k j l\", \"f e b a d c i g h k j l\"]}, \n\t\t\"175\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"y,x,z\", \"y,x,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"m x,x,z\", \"c x,x,z\"], \"Transformed WP\": [\"a b c d e f g h i j k l\", \"b a d c e g f h i k j l\", \"a b c d e f g h i j k l\", \"b a d c e g f h i k j l\"]}, \n\t\t\"176\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"y,x,z\", \"y,x,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"m x,x,z\", \"c x,x,z\"], \"Transformed WP\": [\"a b c d e f g h i\", \"a b d c e f g h i\", \"a b d c e f g h i\", \"a b c d e f g h i\"]}, \n\t\t\"177\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x,-y,-z\", \"-x,-y,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"-1 0,0,0\", \"-1 0,0,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j k l m n\", \"b a d c e g f h i k j m l n\", \"a b c d e f g h i j k l m n\", \"b a d c e g f h i k j m l n\"]}, \n\t\t\"178\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\"], \"Transformed WP\": [\"a b c\", \"a b c\"]}, \n\t\t\"179\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\"], \"Transformed WP\": [\"a b c\", \"a b c\"]}, \n\t\t\"180\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k\", \"b a d c e f h g j i k\"]}, \n\t\t\"181\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k\", \"b a d c e f h g j i k\"]}, \n\t\t\"182\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x,-y,-z\", \"-x,-y,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"-1 0,0,0\", \"-1 0,0,1/4\"], \"Transformed WP\": [\"a b c d e f g h i\", \"a b d c e f g h i\", \"a b c d e f g h i\", \"a b d c e f g h i\"]}, \n\t\t\"183\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\"], \"Transformed WP\": [\"a b c d e f\", \"a b c d e f\"]}, \n\t\t\"184\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\"], \"Transformed WP\": [\"a b c d\", \"a b c d\"]}, \n\t\t\"185\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\"], \"Transformed WP\": [\"a b c d\", \"a b c d\"]}, \n\t\t\"186\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\"], \"Transformed WP\": [\"a b c d\", \"a b c d\"]}, \n\t\t\"187\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\"], \"Coset Representative\": [\"x,y,z\", \"x+2/3,y+1/3,z\", \"x+1/3,y+2/3,z\", \"x,y,z+1/2\", \"x+2/3,y+1/3,z+1/2\", \"x+1/3,y+2/3,z+1/2\", \"-x,-y,-z\", \"-x+2/3,-y+1/3,-z\", \"-x+1/3,-y+2/3,-z\", \"-x,-y,-z+1/2\", \"-x+2/3,-y+1/3,-z+1/2\", \"-x+1/3,-y+2/3,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (2/3,1/3,0)\", \"t (1/3,2/3,0)\", \"t (0,0,1/2)\", \"t (2/3,1/3,1/2)\", \"t (1/3,2/3,1/2)\", \"-1 0,0,0\", \"-1 1/3,1/6,0\", \"-1 1/6,1/3,0\", \"-1 0,0,1/4\", \"-1 1/3,1/6,1/4\", \"-1 1/6,1/3,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j k l m n o\", \"c d e f a b h i g j k l m n o\", \"e f a b c d i g h j k l m n o\", \"b a d c f e g h i k j m l n o\", \"d c f e b a h i g k j m l n o\", \"f e b a d c i g h k j m l n o\", \"a b e f c d g i h j k l m n o\", \"e f c d a b i h g j k l m n o\", \"c d a b e f h g i j k l m n o\", \"b a f e d c g i h k j m l n o\", \"f e d c b a i h g k j m l n o\", \"d c b a f e h g i k j m l n o\"]}, \n\t\t\"188\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\"], \"Coset Representative\": [\"x,y,z\", \"x+2/3,y+1/3,z\", \"x+1/3,y+2/3,z\", \"x,y,z+1/2\", \"x+2/3,y+1/3,z+1/2\", \"x+1/3,y+2/3,z+1/2\", \"-x,-y,-z\", \"-x+2/3,-y+1/3,-z\", \"-x+1/3,-y+2/3,-z\", \"-x,-y,-z+1/2\", \"-x+2/3,-y+1/3,-z+1/2\", \"-x+1/3,-y+2/3,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (2/3,1/3,0)\", \"t (1/3,2/3,0)\", \"t (0,0,1/2)\", \"t (2/3,1/3,1/2)\", \"t (1/3,2/3,1/2)\", \"-1 0,0,0\", \"-1 1/3,1/6,0\", \"-1 1/6,1/3,0\", \"-1 0,0,1/4\", \"-1 1/3,1/6,1/4\", \"-1 1/6,1/3,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j k l\", \"c d e f a b h i g j k l\", \"e f a b c d i g h j k l\", \"a b c d e f g h i j k l\", \"c d e f a b h i g j k l\", \"e f a b c d i g h j k l\", \"a b e f c d g i h j k l\", \"e f c d a b i h g j k l\", \"c d a b e f h g i j k l\", \"a b e f c d g i h j k l\", \"e f c d a b i h g j k l\", \"c d a b e f h g i j k l\"]}, \n\t\t\"189\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x,-y,-z\", \"-x,-y,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"-1 0,0,0\", \"-1 0,0,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j k l\", \"b a d c e g f h i k j l\", \"a b c d e f g h i j k l\", \"b a d c e g f h i k j l\"]}, \n\t\t\"190\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\", \"-x,-y,-z\", \"-x,-y,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\", \"-1 0,0,0\", \"-1 0,0,1/4\"], \"Transformed WP\": [\"a b c d e f g h i\", \"a b d c e f g h i\", \"a b c d e f g h i\", \"a b d c e f g h i\"]}, \n\t\t\"191\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l m n o p q r\", \"b a d c e g f h i k j m l n o q p r\"]}, \n\t\t\"192\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l m\", \"a b c d e f g h i j k l m\"]}, \n\t\t\"193\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l\", \"a b c d e f g h i j k l\"]}, \n\t\t\"194\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x,y,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (0,0,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l\", \"a b d c e f g h i j k l\"]}, \n\t\t\"195\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z+1/2\", \"y,x,z\", \"y+1/2,x+1/2,z+1/2\", \"-y,-x,-z\", \"-y+1/2,-x+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,1/4\", \"m x,x,z\", \"n (1/2,1/2,1/2) x,x,z\", \"2 x,-x,0\", \"2 x,-x+1/2,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j \", \"b a d c e i h g f j\", \"a b c d e f g h i j \", \"b a d c e i h g f j\", \"a b c d e f h g i j\", \"b a d c e i g h f j\", \"a b c d e f h g i j\", \"b a d c e i g h f j\"]}, \n\t\t\"196\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\", \"9\", \"10\", \"11\", \"12\", \"13\", \"14\", \"15\", \"16\"], \"Coset Representative\": [\"x,y,z\", \"x+1/4,y+1/4,z+1/4\", \"x+1/2,y+1/2,z+1/2\", \"x+3/4,y+3/4,z+3/4\", \"-x,-y,-z\", \"-x+1/4,-y+1/4,-z+1/4\", \"-x+1/2,-y+1/2,-z+1/2\", \"-x+3/4,-y+3/4,-z+3/4\", \"y,x,z\", \"y+1/4,x+1/4,z+1/4\", \"y+1/2,x+1/2,z+1/2\", \"y+3/4,x+3/4,z+3/4\", \"-y,-x,-z\", \"-y+1/4,-x+1/4,-z+1/4\", \"-y+1/2,-x+1/2,-z+1/2\", \"-y+3/4,-x+3/4,-z+3/4\"], \"Geometrical Interpretation\": [\"1\", \"t (1/4,1/4,1/4)\", \"t (1/2,1/2,1/2)\", \"t (3/4,3/4,3/4)\", \"-1 0,0,0\", \"-1 1/8,1/8,1/8\", \"-1 1/4,1/4,1/4\", \"-1 3/8,3/8,3/8\", \"m x,x,z\", \"d (1/4,1/4,1/4) x,x,z\", \"n (1/2,1/2,1/2) x,x,z\", \"d (3/4,3/4,3/4) x,x,z\", \"2 x,-x,0\", \"2 x,-x+1/4,1/8\", \"2 x,-x+1/2,1/4\", \"2 x,-x+3/4,3/8\"], \"Transformed WP\": [\"a b c d e f g h \", \"d c a b e g f h\", \"b a d c e f g h\", \"c d b a e g f h\", \"a b d c e f g h\", \"c d a b e g f h\", \"b a c d e f g h\", \"d c b a e g f h\", \"a b c d e f g h \", \"d c a b e g f h\", \"b a d c e f g h\", \"c d b a e g f h\", \"a b d c e f g h\", \"c d a b e g f h\", \"b a c d e f g h\", \"d c b a e g f h\"]}, \n\t\t\"197\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\", \"y,x,z\", \"-y,-x,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\", \"m x,x,z\", \"2 x,-x,0\"], \"Transformed WP\": [\"a b c d e f\", \"a b c d e f\", \"a b c d e f\", \"a b c d e f\"]}, \n\t\t\"198\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z+1/2\", \"y+1/4,x+1/4,z+1/4\", \"y+3/4,x+3/4,z+3/4\", \"-y+1/4,-x+1/4,-z+1/4\", \"-y+3/4,-x+3/4,-z+3/4\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,1/4\", \"d (1/4,1/4,1/4) x,x,z\", \"d (3/4,3/4,3/4) x,x,z\", \"2 x,-x+1/4,1/8\", \"2 x,-x+3/4,3/8\"], \"Transformed WP\": [\"a b \", \"a b \", \"a b \", \"a b \", \"a b \", \"a b \", \"a b \", \"a b \"]}, \n\t\t\"199\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\", \"y+1/4,x+1/4,z+1/4\", \"-y+1/4,-x+1/4,-z+1/4\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\", \"d (1/4,1/4,1/4) x,x,z\", \"2 x,-x+1/4,1/8\"], \"Transformed WP\": [\"a b c\", \"a b c\", \"a b c\", \"a b c\"]}, \n\t\t\"200\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\", \"y,x,z\", \"y+1/2,x+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\", \"m x,x,z\", \"n (1/2,1/2,1/2) x,x,z\"], \"Transformed WP\": [\"a b c d e f g h i j k l\", \"b a d c h g f e i k j l\", \"a b c d e g f h i j k l\", \"b a d c h f g e i k j l\"]}, \n\t\t\"201\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\", \"y,x,z\", \"y+1/2,x+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\", \"m x,x,z\", \"n (1/2,1/2,1/2) x,x,z\"], \"Transformed WP\": [\"a b c d e f g h\", \"a c b d e f g h\", \"a b c d e f g h\", \"a c b d e f g h\"]}, \n\t\t\"202\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\", \"y,x,z\", \"y+1/2,x+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\", \"m x,x,z\", \"n (1/2,1/2,1/2) x,x,z\"], \"Transformed WP\": [\"a b c d e f g h i\", \"b a c d e f g h i\", \"a b c d e f g h i\", \"b a c d e f g h i\"]}, \n\t\t\"203\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\", \"y,x,z\", \"y+1/2,x+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\", \"m x,x,z\", \"n (1/2,1/2,1/2) x,x,z\"], \"Transformed WP\": [\"a b c d e f g\", \"b a d c e f g\", \"a b c d e f g\", \"b a d c e f g\"]}, \n\t\t\"204\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"y,x,z\"], \"Geometrical Interpretation\": [\"1\", \"m x,x,z\"], \"Transformed WP\": [\"a b c d e f g h\", \"a b c d e f g h\"]}, \n\t\t\"205\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d\", \"b a c d\"]}, \n\t\t\"206\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"y+1/4,x+1/4,z+1/4\"], \"Geometrical Interpretation\": [\"1\", \"d (1/4,1/4,1/4) x,x,z\"], \"Transformed WP\": [\"a b c d e\", \"b a c d e\"]}, \n\t\t\"207\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j k\", \"b a d c f e g h j i k \", \"a b c d e f g h i j k\", \"b a d c f e g h j i k \"]}, \n\t\t\"208\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j k l m\", \"a c b d f e g h j i l k m \", \"a c b d e f g h i j l k m\", \"a b c d f e g h j i k l m \"]}, \n\t\t\"209\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j\", \"b a c d e f h g i j\", \"a b c d e f g h i j\", \"b a c d e f h g i j\"]}, \n\t\t\"210\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\", \"-x+1/4,-y+1/4,-z+1/4\", \"-x+3/4,-y+3/4,-z+3/4\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\", \"-1 1/8,1/8,1/8\", \"-1 3/8,3/8,3/8\"], \"Transformed WP\": [\"a b c d e f g h\", \"b a d c e f g h \", \"a b c d e f g h\", \"b a d c e f g h \"]}, \n\t\t\"211\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\"], \"Transformed WP\": [\"a b c d e f g h i j\", \"a b c d e f g h i j\"]}, \n\t\t\"212\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e\", \"b a c d e\"]}, \n\t\t\"213\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e\", \"b a c d e\"]}, \n\t\t\"214\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\"], \"Transformed WP\": [\"a b c d e f g h i\", \"b a d c e f h g i\"]}, \n\t\t\"215\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,1/4\"], \"Transformed WP\": [\"a b c d e f g h i j\", \"b a d c e g f h i j\", \"a b c d e f g h i j\", \"b a d c e g f h i j\"]}, \n\t\t\"216\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/4,y+1/4,z+1/4\", \"x+1/2,y+1/2,z+1/2\", \"x+3/4,y+3/4,z+3/4\", \"-x,-y,-z\", \"-x+1/4,-y+1/4,-z+1/4\", \"-x+1/2,-y+1/2,-z+1/2\", \"-x+3/4,-y+3/4,-z+3/4\"], \"Geometrical Interpretation\": [\"1\", \"t (1/4,1/4,1/4)\", \"t (1/2,1/2,1/2)\", \"t (3/4,3/4,3/4)\", \"-1 0,0,0\", \"-1 1/8,1/8,1/8\", \"-1 1/4,1/4,1/4\", \"-1 3/8,3/8,3/8\"], \"Transformed WP\": [\"a b c d e f g h i \", \"d c a b e g f h i\", \"b a d c e f g h i\", \"c d b a e g f h i\", \"a b d c e f g h i \", \"c d a b e g f h i\", \"b a c d e f g h i\", \"d c b a e g f h i\"]}, \n\t\t\"217\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\"], \"Transformed WP\": [\"a b c d e f g h\", \"a b c d e f g h\"]}, \n\t\t\"218\": {\"No.\": [\"1\", \"2\", \"3\", \"4\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\", \"-x,-y,-z\", \"-x+1/2,-y+1/2,-z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\", \"-1 0,0,0\", \"-1 1/4,1/4,1/4\"], \"Transformed WP\": [\"a b c d e f g h i\", \"a b d c e f h g i\", \"a b c d e f g h i\", \"a b d c e f h g i\"]}, \n\t\t\"219\": {\"No.\": [\"1\", \"2\", \"3\", \"4\", \"5\", \"6\", \"7\", \"8\"], \"Coset Representative\": [\"x,y,z\", \"x+1/4,y+1/4,z+1/4\", \"x+1/2,y+1/2,z+1/2\", \"x+3/4,y+3/4,z+3/4\", \"-x,-y,-z\", \"-x+1/4,-y+1/4,-z+1/4\", \"-x+1/2,-y+1/2,-z+1/2\", \"-x+3/4,-y+3/4,-z+3/4\"], \"Geometrical Interpretation\": [\"1\", \"t (1/4,1/4,1/4)\", \"t (1/2,1/2,1/2)\", \"t (3/4,3/4,3/4)\", \"-1 0,0,0\", \"-1 1/8,1/8,1/8\", \"-1 1/4,1/4,1/4\", \"-1 3/8,3/8,3/8\"], \"Transformed WP\": [\"a b c d e f g h \", \"b a d c e g f h\", \"a b c d e f g h \", \"b a d c e g f h\", \"a b c d e f g h \", \"b a d c e g f h\", \"a b c d e f g h \", \"b a d c e g f h\"]}, \n\t\t\"220\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"-x,-y,-z\"], \"Geometrical Interpretation\": [\"1\", \"-1 0,0,0\"], \"Transformed WP\": [\"a b c d e\", \"b a c d e\"]}, \n\t\t\"221\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l m n\", \"b a d c f e g h j i l k m n\"]}, \n\t\t\"222\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i\", \"a b c d e f g h i\"]}, \n\t\t\"223\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l\", \"a b d c e f h g i j k l\"]}, \n\t\t\"224\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l\", \"a c b d e f g h j i k l\"]}, \n\t\t\"225\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j k l\", \"b a c d e f g i h j k l\"]}, \n\t\t\"226\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i j\", \"a b c d e f g h i j\"]}, \n\t\t\"227\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h i\", \"b a d c e f g h i\"]}, \n\t\t\"228\": {\"No.\": [\"1\", \"2\"], \"Coset Representative\": [\"x,y,z\", \"x+1/2,y+1/2,z+1/2\"], \"Geometrical Interpretation\": [\"1\", \"t (1/2,1/2,1/2)\"], \"Transformed WP\": [\"a b c d e f g h\", \"a b c d e f g h\"]}, \n\t\t\"229\": {\"No.\": [\"1\"], \"Coset Representative\": [\"x,y,z\"], \"Geometrical Interpretation\": [\"1\"], \"Transformed WP\": [\"a b c d e f g h i j k l\"]}, \n\t\t\"230\": {\"No.\": [\"1\"], \"Coset Representative\": [\"x,y,z\"], \"Geometrical Interpretation\": [\"1\"], \"Transformed WP\": [\"a b c d e f g h\"]}\n}\n" }, { "path": "pyxtal/database/wyckoff_symmetry.csv", "content": ",0\n0,\n1,\"[[['x, y, z']]]\"\n2,\"[[['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, -y+1, -z+1']], [['x, y, z', '-x, -y+1, -z+1']], [['x, y, z', '-x+1, -y, -z+1']], [['x, y, z', '-x+1, -y+1, -z']], [['x, y, z', '-x+1, -y, -z']], [['x, y, z', '-x, -y+1, -z']], [['x, y, z', '-x, -y, -z+1']], [['x, y, z', '-x, -y, -z']]]\"\n3,\"[[['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, y, -z+1']], [['x, y, z', '-x+1, y, -z']], [['x, y, z', '-x, y, -z+1']], [['x, y, z', '-x, y, -z']]]\"\n4,\"[[['x, y, z'], ['x, y, z']]]\"\n5,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x+1, y, -z+1']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x+1, y, -z']]]\"\n6,\"[[['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1, z']], [['x, y, z', 'x, -y, z']]]\"\n7,\"[[['x, y, z'], ['x, y, z']]]\"\n8,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y+1, z']]]\"\n9,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]]\"\n10,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z']], [['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, y, -z+1']], [['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1']], [['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z']], [['x, y, z', '-x+1, y, -z+1', '-x+1, -y+1, -z+1', 'x, -y+1, z']], [['x, y, z', '-x+1, y, -z+1', '-x+1, -y, -z+1', 'x, -y, z']], [['x, y, z', '-x, y, -z+1', '-x, -y+1, -z+1', 'x, -y+1, z']], [['x, y, z', '-x+1, y, -z', '-x+1, -y+1, -z', 'x, -y+1, z']], [['x, y, z', '-x+1, y, -z', '-x+1, -y, -z', 'x, -y, z']], [['x, y, z', '-x, y, -z+1', '-x, -y, -z+1', 'x, -y, z']], [['x, y, z', '-x, y, -z', '-x, -y+1, -z', 'x, -y+1, z']], [['x, y, z', '-x, y, -z', '-x, -y, -z', 'x, -y, z']]]\"\n11,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, z']], [['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z+1']], [['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x, -y+1, -z+1']], [['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x+1, -y+1, -z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y+1, -z']]]\"\n12,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, y, -z+1']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z']], [['x, y, z', '-x+1/2, -y+1/2, -z+1'], ['x, y, z', '-x+3/2, -y+1/2, -z+1'], ['x, y, z', '-x+3/2, -y+3/2, -z+1'], ['x, y, z', '-x+5/2, -y+3/2, -z+1']], [['x, y, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', '-x+3/2, -y+1/2, -z'], ['x, y, z', '-x+3/2, -y+3/2, -z'], ['x, y, z', '-x+5/2, -y+3/2, -z']], [['x, y, z', '-x, y, -z+1', '-x, -y+1, -z+1', 'x, -y+1, z'], ['x, y, z', '-x+1, y, -z+1', '-x+1, -y+2, -z+1', 'x, -y+2, z']], [['x, y, z', '-x, y, -z+1', '-x, -y, -z+1', 'x, -y, z'], ['x, y, z', '-x+1, y, -z+1', '-x+1, -y+1, -z+1', 'x, -y+1, z']], [['x, y, z', '-x, y, -z', '-x, -y+1, -z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, -z', '-x+1, -y+2, -z', 'x, -y+2, z']], [['x, y, z', '-x, y, -z', '-x, -y, -z', 'x, -y, z'], ['x, y, z', '-x+1, y, -z', '-x+1, -y+1, -z', 'x, -y+1, z']]]\"\n13,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, y, -z+1/2'], ['x, y, z', '-x+1, y, -z+3/2']], [['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+3/2']], [['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x+1, -y, -z+1']], [['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x, -y+1, -z+1']], [['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x+1, -y+1, -z+1']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z+1']]]\"\n14,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z']], [['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x, -y+1, -z']], [['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x+1, -y+1, -z+1']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y+1, -z+1']]]\"\n15,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x+1, y, -z+1/2'], ['x, y, z', '-x+1, y, -z+3/2']], [['x, y, z', '-x+1/2, -y+1/2, -z+1'], ['x, y, z', '-x+3/2, -y+1/2, -z'], ['x, y, z', '-x+3/2, -y+3/2, -z+1'], ['x, y, z', '-x+5/2, -y+3/2, -z']], [['x, y, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', '-x+3/2, -y+1/2, -z+1'], ['x, y, z', '-x+3/2, -y+3/2, -z'], ['x, y, z', '-x+5/2, -y+3/2, -z+1']], [['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+1, -y+2, -z'], ['x, y, z', '-x+1, -y+2, -z+1']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x+1, -y+1, -z+1']]]\"\n16,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, y, -z+1']], [['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z']], [['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z']], [['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z+1']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z']], [['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z']], [['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1']], [['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z']]]\"\n17,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, y, -z+1/2'], ['x, y, z', '-x+1, y, -z+3/2']], [['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+3/2']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z+1']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z+1']]]\"\n18,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z']]]\"\n19,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]]\"\n20,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x+1, y, -z+1/2'], ['x, y, z', '-x+1, y, -z+3/2']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z+1']]]\"\n21,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+5/2, -y+3/2, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+1, -y+2, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, y, -z+1']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z']], [['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z+1']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z']], [['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+1', 'x, -y+1, -z+1']], [['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z', 'x, -y+2, -z']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z']]]\"\n22,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+5/2, -z+3/2'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', 'x, -y+5/2, -z+1/2']], [['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+5/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+5/2, y, -z+1/2']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+5/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+5/2, -y+3/2, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z']], [['x, y, z', 'x, -y+1/2, -z+3/2', '-x+1/2, y, -z+3/2', '-x+1/2, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, -z+5/2', '-x+1/2, y, -z+5/2', '-x+1/2, -y+3/2, z'], ['x, y, z', 'x, -y+1/2, -z+5/2', '-x+3/2, y, -z+5/2', '-x+3/2, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, -z+3/2', '-x+3/2, y, -z+3/2', '-x+3/2, -y+3/2, z']], [['x, y, z', 'x, -y+1/2, -z+1/2', '-x+1/2, y, -z+1/2', '-x+1/2, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, -z+3/2', '-x+1/2, y, -z+3/2', '-x+1/2, -y+3/2, z'], ['x, y, z', 'x, -y+1/2, -z+3/2', '-x+3/2, y, -z+3/2', '-x+3/2, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, -z+1/2', '-x+3/2, y, -z+1/2', '-x+3/2, -y+3/2, z']], [['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1'], ['x, y, z', '-x, -y+1, z', '-x, y, -z+2', 'x, -y+1, -z+2'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+2', 'x, -y, -z+2'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z']]]\"\n23,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+1, -y+2, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+2, y, -z+1'], ['x, y, z', '-x+2, y, -z+1']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, y, -z+1']], [['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y+1, -z+2'], ['x, y, z', 'x, -y+1, -z+2']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z+1']], [['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+1', 'x, -y+2, -z+1']], [['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+2', 'x, -y+1, -z+2']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+1', 'x, -y+1, -z+1']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1']]]\"\n24,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1/2, z'], ['x, y, z', '-x, -y+3/2, z'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x+1, -y+5/2, z']], [['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+1/2, y, -z+1'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+3/2, y, -z+2']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, -z+5/2']]]\"\n25,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z']], [['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z']]]\"\n26,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']]]\"\n27,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']]]\"\n28,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y, z']]]\"\n29,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]]\"\n30,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y+1, z']]]\"\n31,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z']]]\"\n32,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z']]]\"\n33,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]]\"\n34,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z']]]\"\n35,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+5/2, z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']]]\"\n36,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']]]\"\n37,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+5/2, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+1, -y+2, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']]]\"\n38,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z']]]\"\n39,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+5/2, z']], [['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+2, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+2, z']]]\"\n40,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, y, z'], ['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']]]\"\n41,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+2, z']]]\"\n42,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+5/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+5/2, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']]]\"\n43,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+3/2, -y+3/2, z']]]\"\n44,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']]]\"\n45,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+2, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+2, -y+2, z']]]\"\n46,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, y, z'], ['x, y, z', '-x+3/2, y, z'], ['x, y, z', '-x+5/2, y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+2, -y+1, z']]]\"\n47,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z']], [['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z']], [['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z']], [['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z']], [['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z']], [['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z']], [['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z']], [['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z']], [['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', '-x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x, y, z']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', '-x+1, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z', '-x, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x, y, z']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', '-x+1, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1', '-x, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x, y, z']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z', '-x+1, -y, -z', 'x, y, -z', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z']]]\"\n48,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z']], [['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+3/2']], [['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2']], [['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+1/2']], [['x, y, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+3/2']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x, -y+1, -z+1']], [['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y, -z']], [['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z+1/2', 'x, -y+3/2, -z+1/2'], ['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z+3/2', 'x, -y+1/2, -z+3/2']], [['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+3/2', 'x, -y+1/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, z', '-x+3/2, y, -z+1/2', 'x, -y+3/2, -z+1/2']], [['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z+1/2', 'x, -y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z+3/2', 'x, -y+3/2, -z+3/2']], [['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2'], ['x, y, z', '-x+3/2, -y+3/2, z', '-x+3/2, y, -z+3/2', 'x, -y+3/2, -z+3/2']]]\"\n49,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x+1, y, -z+1/2'], ['x, y, z', '-x+1, y, -z+1/2'], ['x, y, z', '-x+1, y, -z+3/2'], ['x, y, z', '-x+1, y, -z+3/2']], [['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x, y, -z+3/2']], [['x, y, z', 'x, -y+1, -z+1/2'], ['x, y, z', 'x, -y+1, -z+1/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, -z+3/2']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y, -z+3/2']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1/2', 'x, -y+1, -z+1/2'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+3/2', 'x, -y+1, -z+3/2']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1/2', 'x, -y+1, -z+1/2'], ['x, y, z', '-x, -y+1, z', '-x, y, -z+3/2', 'x, -y+1, -z+3/2']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1/2', 'x, -y, -z+1/2'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+3/2', 'x, -y, -z+3/2']], [['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z+3/2', 'x, -y, -z+3/2']], [['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z+1', 'x, y, -z+1']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x, -y+1, z', '-x, -y+1, -z+1', 'x, y, -z+1']], [['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z+1', 'x, y, -z+1']], [['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y, z', '-x, -y, -z+1', 'x, y, -z+1']]]\"\n50,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z']], [['x, y, z', '-x+1/2, y, -z+1'], ['x, y, z', '-x+1/2, y, -z+1'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+3/2, y, -z+1']], [['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x+3/2, y, -z']], [['x, y, z', 'x, -y+1/2, -z+1'], ['x, y, z', 'x, -y+1/2, -z+1'], ['x, y, z', 'x, -y+3/2, -z+1'], ['x, y, z', 'x, -y+3/2, -z+1']], [['x, y, z', 'x, -y+1/2, -z'], ['x, y, z', 'x, -y+1/2, -z'], ['x, y, z', 'x, -y+3/2, -z'], ['x, y, z', 'x, -y+3/2, -z']], [['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x, -y+1, -z+1']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y+1, -z']], [['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1', 'x, -y+1/2, -z+1'], ['x, y, z', '-x+3/2, -y+3/2, z', '-x+3/2, y, -z+1', 'x, -y+3/2, -z+1']], [['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z+1', 'x, -y+1/2, -z+1'], ['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z+1', 'x, -y+3/2, -z+1']], [['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z', 'x, -y+1/2, -z'], ['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z', 'x, -y+3/2, -z']], [['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z', 'x, -y+1/2, -z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-x+3/2, y, -z', 'x, -y+3/2, -z']]]\"\n51,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, y, z'], ['x, y, z', '-x+3/2, y, z']], [['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z']], [['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x+1, y, -z+1']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x+1, y, -z']], [['x, y, z', '-x+1/2, -y+1, z', 'x, -y+1, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, -y+1, z', 'x, -y+1, z', '-x+3/2, y, z']], [['x, y, z', '-x+1/2, -y, z', 'x, -y, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, -y, z', 'x, -y, z', '-x+3/2, y, z']], [['x, y, z', '-x, y, -z+1', '-x, -y+1, -z+1', 'x, -y+1, z'], ['x, y, z', '-x+1, y, -z+1', '-x+1, -y+1, -z+1', 'x, -y+1, z']], [['x, y, z', '-x, y, -z+1', '-x, -y, -z+1', 'x, -y, z'], ['x, y, z', '-x+1, y, -z+1', '-x+1, -y, -z+1', 'x, -y, z']], [['x, y, z', '-x, y, -z', '-x, -y+1, -z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, -z', '-x+1, -y+1, -z', 'x, -y+1, z']], [['x, y, z', '-x, y, -z', '-x, -y, -z', 'x, -y, z'], ['x, y, z', '-x+1, y, -z', '-x+1, -y, -z', 'x, -y, z']]]\"\n52,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+1/2, -z+3/2']], [['x, y, z', '-x+1/2, -y, z'], ['x, y, z', '-x+1/2, -y+1, z'], ['x, y, z', '-x+3/2, -y, z'], ['x, y, z', '-x+3/2, -y+1, z']], [['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x, -y+1, -z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x, -y+1, -z+1']]]\"\n53,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+1/2']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z+1']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z+1']], [['x, y, z', 'x, -y+1, -z', '-x, -y+1, -z', '-x, y, z'], ['x, y, z', 'x, -y+1, -z+1', '-x+1, -y+1, -z+1', '-x+1, y, z']], [['x, y, z', 'x, -y+1, -z', '-x+1, -y+1, -z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, -z+1', '-x, -y+1, -z+1', '-x, y, z']], [['x, y, z', 'x, -y, -z', '-x+1, -y, -z', '-x+1, y, z'], ['x, y, z', 'x, -y, -z+1', '-x, -y, -z+1', '-x, y, z']], [['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z'], ['x, y, z', 'x, -y, -z+1', '-x+1, -y, -z+1', '-x+1, y, z']]]\"\n54,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, -y+1, z'], ['x, y, z', '-x+3/2, -y+1, z'], ['x, y, z', '-x+3/2, -y+1, z'], ['x, y, z', '-x+1/2, -y+1, z']], [['x, y, z', '-x+1/2, -y, z'], ['x, y, z', '-x+3/2, -y, z'], ['x, y, z', '-x+3/2, -y, z'], ['x, y, z', '-x+1/2, -y, z']], [['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x+1, y, -z+1/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x+1, y, -z+3/2']], [['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+1, -y+1, -z+1']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x+1, -y, -z+1']]]\"\n55,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z+1', 'x, y, -z+1']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z']], [['x, y, z', '-x, -y, z', '-x, -y, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z+1', 'x, y, -z+1']], [['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z', 'x, y, -z']]]\"\n56,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z']], [['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y, -z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+1, -y, -z+1']]]\"\n57,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+3/2']], [['x, y, z', 'x, -y+1/2, -z'], ['x, y, z', 'x, -y+3/2, -z+1'], ['x, y, z', 'x, -y+3/2, -z'], ['x, y, z', 'x, -y+1/2, -z+1']], [['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x+1, -y+1, -z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x, -y+1, -z']]]\"\n58,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z+1', 'x, y, -z+1']], [['x, y, z', '-x, -y, z', '-x, -y, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z', 'x, y, -z']], [['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z+1', 'x, y, -z+1']]]\"\n59,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, z']], [['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, y, z'], ['x, y, z', '-x+3/2, y, z']], [['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+1, -y, -z+1']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y, -z']], [['x, y, z', '-x+1/2, -y+3/2, z', 'x, -y+3/2, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, -y+1/2, z', 'x, -y+1/2, z', '-x+3/2, y, z']], [['x, y, z', '-x+1/2, -y+1/2, z', 'x, -y+1/2, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, -y+3/2, z', 'x, -y+3/2, z', '-x+3/2, y, z']]]\"\n60,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x+1, y, -z+3/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x+1, y, -z+1/2']], [['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+1, -y, -z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z']]]\"\n61,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y+1, -z+1']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+1, -y+1, -z']]]\"\n62,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+1/2, z']], [['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+1, -y+1, -z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y+1, -z+1']]]\"\n63,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+3/2']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z+1']], [['x, y, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', '-x+3/2, -y+3/2, -z+1'], ['x, y, z', '-x+3/2, -y+1/2, -z+1'], ['x, y, z', '-x+1/2, -y+3/2, -z'], ['x, y, z', '-x+3/2, -y+3/2, -z'], ['x, y, z', '-x+5/2, -y+5/2, -z+1'], ['x, y, z', '-x+5/2, -y+3/2, -z+1'], ['x, y, z', '-x+3/2, -y+5/2, -z']], [['x, y, z', '-x, y, -z+1/2', 'x, y, -z+1/2', '-x, y, z'], ['x, y, z', '-x, y, -z+3/2', 'x, y, -z+3/2', '-x, y, z'], ['x, y, z', '-x+1, y, -z+1/2', 'x, y, -z+1/2', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z+3/2', 'x, y, -z+3/2', '-x+1, y, z']], [['x, y, z', 'x, -y+1, -z', '-x, -y+1, -z', '-x, y, z'], ['x, y, z', 'x, -y+1, -z+1', '-x, -y+1, -z+1', '-x, y, z'], ['x, y, z', 'x, -y+2, -z', '-x+1, -y+2, -z', '-x+1, y, z'], ['x, y, z', 'x, -y+2, -z+1', '-x+1, -y+2, -z+1', '-x+1, y, z']], [['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z'], ['x, y, z', 'x, -y, -z+1', '-x, -y, -z+1', '-x, y, z'], ['x, y, z', 'x, -y+1, -z', '-x+1, -y+1, -z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, -z+1', '-x+1, -y+1, -z+1', '-x+1, y, z']]]\"\n64,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+5/2, y, -z+3/2'], ['x, y, z', '-x+5/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+1/2']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+2, -z+1'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+2, -z+1']], [['x, y, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', '-x+3/2, -y+1/2, -z+1'], ['x, y, z', '-x+3/2, -y+3/2, -z+1'], ['x, y, z', '-x+1/2, -y+3/2, -z'], ['x, y, z', '-x+3/2, -y+3/2, -z'], ['x, y, z', '-x+5/2, -y+3/2, -z+1'], ['x, y, z', '-x+5/2, -y+5/2, -z+1'], ['x, y, z', '-x+3/2, -y+5/2, -z']], [['x, y, z', 'x, -y, -z', '-x+1, -y, -z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, -z+1', '-x+1, -y+1, -z+1', '-x+1, y, z'], ['x, y, z', 'x, -y+1, -z', '-x+2, -y+1, -z', '-x+2, y, z'], ['x, y, z', 'x, -y+2, -z+1', '-x+2, -y+2, -z+1', '-x+2, y, z']], [['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z'], ['x, y, z', 'x, -y+1, -z+1', '-x, -y+1, -z+1', '-x, y, z'], ['x, y, z', 'x, -y+1, -z', '-x+1, -y+1, -z', '-x+1, y, z'], ['x, y, z', 'x, -y+2, -z+1', '-x+1, -y+2, -z+1', '-x+1, y, z']]]\"\n65,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+5/2, -y+3/2, z'], ['x, y, z', '-x+5/2, -y+5/2, z'], ['x, y, z', '-x+3/2, -y+5/2, z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z']], [['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z']], [['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z']], [['x, y, z', 'x, y, -z+1', '-x+1/2, -y+1/2, z', '-x+1/2, -y+1/2, -z+1'], ['x, y, z', 'x, y, -z+1', '-x+3/2, -y+1/2, z', '-x+3/2, -y+1/2, -z+1'], ['x, y, z', 'x, y, -z+1', '-x+3/2, -y+3/2, z', '-x+3/2, -y+3/2, -z+1'], ['x, y, z', 'x, y, -z+1', '-x+5/2, -y+3/2, z', '-x+5/2, -y+3/2, -z+1']], [['x, y, z', 'x, y, -z', '-x+1/2, -y+1/2, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', 'x, y, -z', '-x+3/2, -y+1/2, z', '-x+3/2, -y+1/2, -z'], ['x, y, z', 'x, y, -z', '-x+3/2, -y+3/2, z', '-x+3/2, -y+3/2, -z'], ['x, y, z', 'x, y, -z', '-x+5/2, -y+3/2, z', '-x+5/2, -y+3/2, -z']], [['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1', '-x, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', '-x+1, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+1', 'x, -y+1, -z+1', '-x+2, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x+2, y, z']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z', '-x+1, -y, -z', 'x, y, -z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z', 'x, -y+1, -z', '-x+2, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x+2, y, z']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', '-x+1, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x+1, y, z']]]\"\n66,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+5/2, -y+3/2, z'], ['x, y, z', '-x+5/2, -y+5/2, z'], ['x, y, z', '-x+3/2, -y+5/2, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+1, -y+2, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x+1, y, -z+1/2'], ['x, y, z', '-x+1, y, -z+1/2'], ['x, y, z', '-x+1, y, -z+3/2'], ['x, y, z', '-x+1, y, -z+3/2']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y+1, -z+1/2'], ['x, y, z', 'x, -y+1, -z+1/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, -z+3/2']], [['x, y, z', 'x, y, -z', '-x+1/2, -y+3/2, z', '-x+1/2, -y+3/2, -z'], ['x, y, z', 'x, y, -z+1', '-x+3/2, -y+3/2, z', '-x+3/2, -y+3/2, -z+1'], ['x, y, z', 'x, y, -z', '-x+3/2, -y+5/2, z', '-x+3/2, -y+5/2, -z'], ['x, y, z', 'x, y, -z+1', '-x+5/2, -y+5/2, z', '-x+5/2, -y+5/2, -z+1']], [['x, y, z', 'x, y, -z', '-x+1/2, -y+1/2, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', 'x, y, -z+1', '-x+3/2, -y+1/2, z', '-x+3/2, -y+1/2, -z+1'], ['x, y, z', 'x, y, -z', '-x+3/2, -y+3/2, z', '-x+3/2, -y+3/2, -z'], ['x, y, z', 'x, y, -z+1', '-x+5/2, -y+3/2, z', '-x+5/2, -y+3/2, -z+1']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x, -y+1, z', '-x, -y+1, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y+2, z', '-x+1, -y+2, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y+2, z', '-x+1, -y+2, -z+1', 'x, y, -z+1']], [['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y, z', '-x, -y, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z+1', 'x, y, -z+1']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1/2', 'x, -y+1, -z+1/2'], ['x, y, z', '-x, -y+1, z', '-x, y, -z+3/2', 'x, -y+1, -z+3/2'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+1/2', 'x, -y+2, -z+1/2'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+3/2', 'x, -y+2, -z+3/2']], [['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z+3/2', 'x, -y, -z+3/2'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1/2', 'x, -y+1, -z+1/2'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+3/2', 'x, -y+1, -z+3/2']]]\"\n67,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+5/2, z'], ['x, y, z', 'x, -y+5/2, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x+1/2, -y, z'], ['x, y, z', '-x+3/2, -y+1, z'], ['x, y, z', '-x+3/2, -y, z'], ['x, y, z', '-x+1/2, -y+1, z'], ['x, y, z', '-x+3/2, -y+1, z'], ['x, y, z', '-x+5/2, -y+2, z'], ['x, y, z', '-x+5/2, -y+1, z'], ['x, y, z', '-x+3/2, -y+2, z']], [['x, y, z', '-x+1/2, y, -z+1'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+1/2, y, -z+1'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+5/2, y, -z+1'], ['x, y, z', '-x+5/2, y, -z+1'], ['x, y, z', '-x+3/2, y, -z+1']], [['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x+5/2, y, -z'], ['x, y, z', '-x+5/2, y, -z'], ['x, y, z', '-x+3/2, y, -z']], [['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+2, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+2, -z+1']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+2, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+2, -z']], [['x, y, z', '-x, -y+1/2, z', 'x, -y+1/2, z', '-x, y, z'], ['x, y, z', '-x, -y+3/2, z', 'x, -y+3/2, z', '-x, y, z'], ['x, y, z', '-x+1, -y+3/2, z', 'x, -y+3/2, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+5/2, z', 'x, -y+5/2, z', '-x+1, y, z']], [['x, y, z', 'x, -y+1/2, z', '-x+1/2, y, -z+1', '-x+1/2, -y+1/2, -z+1'], ['x, y, z', 'x, -y+1/2, z', '-x+3/2, y, -z+1', '-x+3/2, -y+1/2, -z+1'], ['x, y, z', 'x, -y+3/2, z', '-x+3/2, y, -z+1', '-x+3/2, -y+3/2, -z+1'], ['x, y, z', 'x, -y+3/2, z', '-x+5/2, y, -z+1', '-x+5/2, -y+3/2, -z+1']], [['x, y, z', 'x, -y+1/2, z', '-x+1/2, y, -z', '-x+1/2, -y+1/2, -z'], ['x, y, z', 'x, -y+1/2, z', '-x+3/2, y, -z', '-x+3/2, -y+1/2, -z'], ['x, y, z', 'x, -y+3/2, z', '-x+3/2, y, -z', '-x+3/2, -y+3/2, -z'], ['x, y, z', 'x, -y+3/2, z', '-x+5/2, y, -z', '-x+5/2, -y+3/2, -z']], [['x, y, z', 'x, -y, -z+1', '-x, -y, -z+1', '-x, y, z'], ['x, y, z', 'x, -y+1, -z+1', '-x, -y+1, -z+1', '-x, y, z'], ['x, y, z', 'x, -y+1, -z+1', '-x+1, -y+1, -z+1', '-x+1, y, z'], ['x, y, z', 'x, -y+2, -z+1', '-x+1, -y+2, -z+1', '-x+1, y, z']], [['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z'], ['x, y, z', 'x, -y+1, -z', '-x, -y+1, -z', '-x, y, z'], ['x, y, z', 'x, -y+1, -z', '-x+1, -y+1, -z', '-x+1, y, z'], ['x, y, z', 'x, -y+2, -z', '-x+1, -y+2, -z', '-x+1, y, z']], [['x, y, z', 'x, -y, -z+1', '-x+1/2, -y, z', '-x+1/2, y, -z+1'], ['x, y, z', 'x, -y, -z+1', '-x+3/2, -y, z', '-x+3/2, y, -z+1'], ['x, y, z', 'x, -y+1, -z+1', '-x+3/2, -y+1, z', '-x+3/2, y, -z+1'], ['x, y, z', 'x, -y+1, -z+1', '-x+5/2, -y+1, z', '-x+5/2, y, -z+1']], [['x, y, z', 'x, -y, -z', '-x+1/2, -y, z', '-x+1/2, y, -z'], ['x, y, z', 'x, -y, -z', '-x+3/2, -y, z', '-x+3/2, y, -z'], ['x, y, z', 'x, -y+1, -z', '-x+3/2, -y+1, z', '-x+3/2, y, -z'], ['x, y, z', 'x, -y+1, -z', '-x+5/2, -y+1, z', '-x+5/2, y, -z']]]\"\n68,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, -y, z'], ['x, y, z', '-x+3/2, -y, z'], ['x, y, z', '-x+3/2, -y, z'], ['x, y, z', '-x+1/2, -y, z'], ['x, y, z', '-x+3/2, -y+1, z'], ['x, y, z', '-x+5/2, -y+1, z'], ['x, y, z', '-x+5/2, -y+1, z'], ['x, y, z', '-x+3/2, -y+1, z']], [['x, y, z', '-x, -y+1/2, z'], ['x, y, z', '-x, -y+1/2, z'], ['x, y, z', '-x, -y+3/2, z'], ['x, y, z', '-x, -y+3/2, z'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x+1, -y+5/2, z'], ['x, y, z', '-x+1, -y+5/2, z']], [['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x+1, y, -z+1/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x+1, y, -z+3/2'], ['x, y, z', '-x+1, y, -z+1/2'], ['x, y, z', '-x+2, y, -z+1/2'], ['x, y, z', '-x+1, y, -z+3/2'], ['x, y, z', '-x+2, y, -z+3/2']], [['x, y, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', 'x, -y+5/2, -z+1/2'], ['x, y, z', 'x, -y+5/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+3/2']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x+2, -y+1, -z'], ['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x+2, -y+1, -z+1']], [['x, y, z', '-x+1/2, -y+3/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', '-x+3/2, -y+3/2, -z+1'], ['x, y, z', '-x+3/2, -y+1/2, -z+1'], ['x, y, z', '-x+3/2, -y+5/2, -z'], ['x, y, z', '-x+3/2, -y+3/2, -z'], ['x, y, z', '-x+5/2, -y+5/2, -z+1'], ['x, y, z', '-x+5/2, -y+3/2, -z+1']], [['x, y, z', '-x, y, -z+3/2', '-x, -y+1/2, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', '-x, y, -z+1/2', '-x, -y+3/2, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', '-x+1, y, -z+3/2', '-x+1, -y+3/2, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', '-x+1, y, -z+1/2', '-x+1, -y+5/2, z', 'x, -y+5/2, -z+1/2']], [['x, y, z', '-x, y, -z+1/2', '-x, -y+1/2, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', '-x, y, -z+3/2', '-x, -y+3/2, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', '-x+1, y, -z+1/2', '-x+1, -y+3/2, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', '-x+1, y, -z+3/2', '-x+1, -y+5/2, z', 'x, -y+5/2, -z+3/2']]]\"\n69,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+5/2, -z+3/2'], ['x, y, z', 'x, -y+5/2, -z+5/2'], ['x, y, z', 'x, -y+3/2, -z+5/2'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+5/2'], ['x, y, z', 'x, -y+1/2, -z+5/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', 'x, -y+5/2, -z+1/2'], ['x, y, z', 'x, -y+5/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+3/2']], [['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+5/2'], ['x, y, z', '-x+1/2, y, -z+5/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+5/2, y, -z+3/2'], ['x, y, z', '-x+5/2, y, -z+5/2'], ['x, y, z', '-x+3/2, y, -z+5/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+5/2, y, -z+1/2'], ['x, y, z', '-x+5/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+5/2, z'], ['x, y, z', '-x+1/2, -y+5/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+5/2, -y+1/2, z'], ['x, y, z', '-x+5/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+5/2, -y+3/2, z'], ['x, y, z', '-x+5/2, -y+5/2, z'], ['x, y, z', '-x+3/2, -y+5/2, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z']], [['x, y, z', 'x, -y+1/2, -z+1/2', '-x+1/2, y, -z+1/2', '-x+1/2, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, -z+3/2', '-x+3/2, y, -z+3/2', '-x+3/2, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, -z+3/2', '-x+1/2, y, -z+3/2', '-x+1/2, -y+3/2, z'], ['x, y, z', 'x, -y+5/2, -z+5/2', '-x+3/2, y, -z+5/2', '-x+3/2, -y+5/2, z'], ['x, y, z', 'x, -y+1/2, -z+3/2', '-x+3/2, y, -z+3/2', '-x+3/2, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, -z+5/2', '-x+5/2, y, -z+5/2', '-x+5/2, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, -z+1/2', '-x+3/2, y, -z+1/2', '-x+3/2, -y+3/2, z'], ['x, y, z', 'x, -y+5/2, -z+3/2', '-x+5/2, y, -z+3/2', '-x+5/2, -y+5/2, z']], [['x, y, z', 'x, y, -z', '-x+1/2, -y+1/2, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', 'x, y, -z', '-x+3/2, -y+1/2, z', '-x+3/2, -y+1/2, -z'], ['x, y, z', 'x, y, -z+1', '-x+1/2, -y+3/2, z', '-x+1/2, -y+3/2, -z+1'], ['x, y, z', 'x, y, -z+1', '-x+3/2, -y+3/2, z', '-x+3/2, -y+3/2, -z+1'], ['x, y, z', 'x, y, -z+1', '-x+3/2, -y+1/2, z', '-x+3/2, -y+1/2, -z+1'], ['x, y, z', 'x, y, -z+1', '-x+5/2, -y+1/2, z', '-x+5/2, -y+1/2, -z+1'], ['x, y, z', 'x, y, -z', '-x+3/2, -y+3/2, z', '-x+3/2, -y+3/2, -z'], ['x, y, z', 'x, y, -z', '-x+5/2, -y+3/2, z', '-x+5/2, -y+3/2, -z']], [['x, y, z', 'x, -y, z', '-x+1/2, y, -z+1/2', '-x+1/2, -y, -z+1/2'], ['x, y, z', 'x, -y, z', '-x+3/2, y, -z+1/2', '-x+3/2, -y, -z+1/2'], ['x, y, z', 'x, -y+1, z', '-x+1/2, y, -z+3/2', '-x+1/2, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, z', '-x+3/2, y, -z+3/2', '-x+3/2, -y+1, -z+3/2'], ['x, y, z', 'x, -y, z', '-x+3/2, y, -z+3/2', '-x+3/2, -y, -z+3/2'], ['x, y, z', 'x, -y, z', '-x+5/2, y, -z+3/2', '-x+5/2, -y, -z+3/2'], ['x, y, z', 'x, -y+1, z', '-x+3/2, y, -z+1/2', '-x+3/2, -y+1, -z+1/2'], ['x, y, z', 'x, -y+1, z', '-x+5/2, y, -z+1/2', '-x+5/2, -y+1, -z+1/2']], [['x, y, z', '-x, y, z', 'x, -y+1/2, -z+1/2', '-x, -y+1/2, -z+1/2'], ['x, y, z', '-x, y, z', 'x, -y+3/2, -z+1/2', '-x, -y+3/2, -z+1/2'], ['x, y, z', '-x, y, z', 'x, -y+3/2, -z+3/2', '-x, -y+3/2, -z+3/2'], ['x, y, z', '-x, y, z', 'x, -y+5/2, -z+3/2', '-x, -y+5/2, -z+3/2'], ['x, y, z', '-x+1, y, z', 'x, -y+1/2, -z+3/2', '-x+1, -y+1/2, -z+3/2'], ['x, y, z', '-x+1, y, z', 'x, -y+3/2, -z+3/2', '-x+1, -y+3/2, -z+3/2'], ['x, y, z', '-x+1, y, z', 'x, -y+3/2, -z+1/2', '-x+1, -y+3/2, -z+1/2'], ['x, y, z', '-x+1, y, z', 'x, -y+5/2, -z+1/2', '-x+1, -y+5/2, -z+1/2']], [['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1', '-x, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y+1, z', '-x, y, -z+2', 'x, -y+1, -z+2', '-x, -y+1, -z+2', 'x, y, -z+2', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+2', 'x, -y, -z+2', '-x+1, -y, -z+2', 'x, y, -z+2', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', '-x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', '-x+1, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', '-x+1, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x+1, y, z']]]\"\n70,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/4, -y+1/4, z'], ['x, y, z', '-x+5/4, -y+1/4, z'], ['x, y, z', '-x+7/4, -y+7/4, z'], ['x, y, z', '-x+3/4, -y+7/4, z'], ['x, y, z', '-x+1/4, -y+5/4, z'], ['x, y, z', '-x+5/4, -y+5/4, z'], ['x, y, z', '-x+7/4, -y+11/4, z'], ['x, y, z', '-x+3/4, -y+11/4, z'], ['x, y, z', '-x+5/4, -y+1/4, z'], ['x, y, z', '-x+9/4, -y+1/4, z'], ['x, y, z', '-x+11/4, -y+7/4, z'], ['x, y, z', '-x+7/4, -y+7/4, z'], ['x, y, z', '-x+5/4, -y+5/4, z'], ['x, y, z', '-x+9/4, -y+5/4, z'], ['x, y, z', '-x+11/4, -y+11/4, z'], ['x, y, z', '-x+7/4, -y+11/4, z']], [['x, y, z', '-x+1/4, y, -z+1/4'], ['x, y, z', '-x+5/4, y, -z+1/4'], ['x, y, z', '-x+7/4, y, -z+7/4'], ['x, y, z', '-x+3/4, y, -z+7/4'], ['x, y, z', '-x+1/4, y, -z+5/4'], ['x, y, z', '-x+5/4, y, -z+5/4'], ['x, y, z', '-x+7/4, y, -z+11/4'], ['x, y, z', '-x+3/4, y, -z+11/4'], ['x, y, z', '-x+5/4, y, -z+5/4'], ['x, y, z', '-x+9/4, y, -z+5/4'], ['x, y, z', '-x+11/4, y, -z+11/4'], ['x, y, z', '-x+7/4, y, -z+11/4'], ['x, y, z', '-x+5/4, y, -z+1/4'], ['x, y, z', '-x+9/4, y, -z+1/4'], ['x, y, z', '-x+11/4, y, -z+7/4'], ['x, y, z', '-x+7/4, y, -z+7/4']], [['x, y, z', 'x, -y+1/4, -z+1/4'], ['x, y, z', 'x, -y+5/4, -z+1/4'], ['x, y, z', 'x, -y+7/4, -z+7/4'], ['x, y, z', 'x, -y+3/4, -z+7/4'], ['x, y, z', 'x, -y+5/4, -z+5/4'], ['x, y, z', 'x, -y+9/4, -z+5/4'], ['x, y, z', 'x, -y+11/4, -z+11/4'], ['x, y, z', 'x, -y+7/4, -z+11/4'], ['x, y, z', 'x, -y+1/4, -z+5/4'], ['x, y, z', 'x, -y+5/4, -z+5/4'], ['x, y, z', 'x, -y+7/4, -z+11/4'], ['x, y, z', 'x, -y+3/4, -z+11/4'], ['x, y, z', 'x, -y+5/4, -z+1/4'], ['x, y, z', 'x, -y+9/4, -z+1/4'], ['x, y, z', 'x, -y+11/4, -z+7/4'], ['x, y, z', 'x, -y+7/4, -z+7/4']], [['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x+1/2, -y+1/2, -z+1'], ['x, y, z', '-x+1/2, -y+1, -z+1/2'], ['x, y, z', '-x+1, -y+1/2, -z+1/2'], ['x, y, z', '-x+1, -y+2, -z+2'], ['x, y, z', '-x+1/2, -y+3/2, -z+2'], ['x, y, z', '-x+1/2, -y+2, -z+3/2'], ['x, y, z', '-x+1, -y+3/2, -z+3/2'], ['x, y, z', '-x+2, -y+1, -z+2'], ['x, y, z', '-x+3/2, -y+1/2, -z+2'], ['x, y, z', '-x+3/2, -y+1, -z+3/2'], ['x, y, z', '-x+2, -y+1/2, -z+3/2'], ['x, y, z', '-x+2, -y+2, -z+1'], ['x, y, z', '-x+3/2, -y+3/2, -z+1'], ['x, y, z', '-x+3/2, -y+2, -z+1/2'], ['x, y, z', '-x+2, -y+3/2, -z+1/2']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+3/2, -y+3/2, -z'], ['x, y, z', '-x+3/2, -y, -z+3/2'], ['x, y, z', '-x, -y+3/2, -z+3/2'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+3/2, -y+5/2, -z+1'], ['x, y, z', '-x+3/2, -y+1, -z+5/2'], ['x, y, z', '-x, -y+5/2, -z+5/2'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x+5/2, -y+3/2, -z+1'], ['x, y, z', '-x+5/2, -y, -z+5/2'], ['x, y, z', '-x+1, -y+3/2, -z+5/2'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x+5/2, -y+5/2, -z'], ['x, y, z', '-x+5/2, -y+1, -z+3/2'], ['x, y, z', '-x+1, -y+5/2, -z+3/2']], [['x, y, z', 'x, -y+1/4, -z+5/4', '-x+1/4, y, -z+5/4', '-x+1/4, -y+1/4, z'], ['x, y, z', '-x+7/4, -y+7/4, z', '-x+7/4, y, -z+3/4', 'x, -y+7/4, -z+3/4'], ['x, y, z', 'x, -y+5/4, -z+9/4', '-x+1/4, y, -z+9/4', '-x+1/4, -y+5/4, z'], ['x, y, z', '-x+7/4, -y+11/4, z', '-x+7/4, y, -z+7/4', 'x, -y+11/4, -z+7/4'], ['x, y, z', 'x, -y+1/4, -z+9/4', '-x+5/4, y, -z+9/4', '-x+5/4, -y+1/4, z'], ['x, y, z', '-x+11/4, -y+7/4, z', '-x+11/4, y, -z+7/4', 'x, -y+7/4, -z+7/4'], ['x, y, z', 'x, -y+5/4, -z+5/4', '-x+5/4, y, -z+5/4', '-x+5/4, -y+5/4, z'], ['x, y, z', '-x+11/4, -y+11/4, z', '-x+11/4, y, -z+3/4', 'x, -y+11/4, -z+3/4']], [['x, y, z', 'x, -y+1/4, -z+1/4', '-x+1/4, y, -z+1/4', '-x+1/4, -y+1/4, z'], ['x, y, z', '-x+7/4, -y+7/4, z', '-x+7/4, y, -z+7/4', 'x, -y+7/4, -z+7/4'], ['x, y, z', 'x, -y+5/4, -z+5/4', '-x+1/4, y, -z+5/4', '-x+1/4, -y+5/4, z'], ['x, y, z', '-x+7/4, -y+11/4, z', '-x+7/4, y, -z+11/4', 'x, -y+11/4, -z+11/4'], ['x, y, z', 'x, -y+1/4, -z+5/4', '-x+5/4, y, -z+5/4', '-x+5/4, -y+1/4, z'], ['x, y, z', '-x+11/4, -y+7/4, z', '-x+11/4, y, -z+11/4', 'x, -y+7/4, -z+11/4'], ['x, y, z', 'x, -y+5/4, -z+1/4', '-x+5/4, y, -z+1/4', '-x+5/4, -y+5/4, z'], ['x, y, z', '-x+11/4, -y+11/4, z', '-x+11/4, y, -z+7/4', 'x, -y+11/4, -z+7/4']]]\"\n71,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x+1/2, -y+1/2, -z+1/2'], ['x, y, z', '-x+3/2, -y+3/2, -z+1/2'], ['x, y, z', '-x+3/2, -y+1/2, -z+3/2'], ['x, y, z', '-x+1/2, -y+3/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, -z+3/2'], ['x, y, z', '-x+5/2, -y+5/2, -z+3/2'], ['x, y, z', '-x+5/2, -y+3/2, -z+5/2'], ['x, y, z', '-x+3/2, -y+5/2, -z+5/2']], [['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+2, -y+1, z', 'x, -y+1, z', '-x+2, y, z'], ['x, y, z', '-x+2, -y+1, z', 'x, -y+1, z', '-x+2, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x+1, y, -z+2', 'x, y, -z+2', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z+2', 'x, y, -z+2', '-x+1, y, z']], [['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z']], [['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', 'x, -y+2, -z+1', 'x, y, -z+1', 'x, -y+2, z'], ['x, y, z', 'x, -y+2, -z+1', 'x, y, -z+1', 'x, -y+2, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', '-x+1, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+2', 'x, -y+1, -z+2', '-x+2, -y+1, -z+2', 'x, y, -z+2', 'x, -y+1, z', '-x+2, y, z']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', '-x+1, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+2, -y+2, z', '-x+2, y, -z+1', 'x, -y+2, -z+1', '-x+2, -y+2, -z+1', 'x, y, -z+1', 'x, -y+2, z', '-x+2, y, z']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', '-x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+2', 'x, -y+2, -z+2', '-x+1, -y+2, -z+2', 'x, y, -z+2', 'x, -y+2, z', '-x+1, y, z']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x+1, y, z']]]\"\n72,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+2, -y+1, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+2, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+2, -y+2, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+2, -y+2, z']], [['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x+1, y, -z+3/2'], ['x, y, z', '-x+1, y, -z+3/2'], ['x, y, z', '-x+1, y, -z+5/2'], ['x, y, z', '-x+1, y, -z+5/2']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, -z+5/2'], ['x, y, z', 'x, -y+1, -z+5/2']], [['x, y, z', '-x+1/2, -y+1/2, -z+1/2'], ['x, y, z', '-x+3/2, -y+3/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+3/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+1/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, -z+3/2'], ['x, y, z', '-x+5/2, -y+5/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+5/2, -z+5/2'], ['x, y, z', '-x+5/2, -y+3/2, -z+5/2']], [['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+2, -y+1, z', '-x+2, -y+1, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y+2, z', '-x+1, -y+2, -z+1', 'x, y, -z+1']], [['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+2, -y+2, z', '-x+2, -y+2, -z+1', 'x, y, -z+1']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1/2', 'x, -y, -z+1/2'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+3/2', 'x, -y, -z+3/2'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+3/2', 'x, -y+1, -z+3/2'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+5/2', 'x, -y+1, -z+5/2']], [['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z+3/2', 'x, -y, -z+3/2'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+3/2', 'x, -y+1, -z+3/2'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+5/2', 'x, -y+1, -z+5/2']]]\"\n73,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1/2, z'], ['x, y, z', '-x, -y+3/2, z'], ['x, y, z', '-x, -y+3/2, z'], ['x, y, z', '-x, -y+1/2, z'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x+1, -y+5/2, z'], ['x, y, z', '-x+1, -y+5/2, z'], ['x, y, z', '-x+1, -y+3/2, z']], [['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+1/2, y, -z+1'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+3/2, y, -z+2'], ['x, y, z', '-x+5/2, y, -z+1'], ['x, y, z', '-x+5/2, y, -z+2']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, -z+5/2'], ['x, y, z', 'x, -y+1, -z+5/2'], ['x, y, z', 'x, -y+1, -z+3/2']], [['x, y, z', '-x+1/2, -y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+3/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, -z+1/2'], ['x, y, z', '-x+3/2, -y+1/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+5/2, -z+5/2'], ['x, y, z', '-x+5/2, -y+5/2, -z+3/2'], ['x, y, z', '-x+5/2, -y+3/2, -z+5/2']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x+2, -y+1, -z+2'], ['x, y, z', '-x+1, -y+2, -z+2'], ['x, y, z', '-x+2, -y+2, -z+1']]]\"\n74,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+5/2, z'], ['x, y, z', 'x, -y+5/2, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+5/2, y, -z+3/2'], ['x, y, z', '-x+5/2, y, -z+5/2'], ['x, y, z', '-x+3/2, y, -z+5/2']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+2, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+2, -z+1']], [['x, y, z', '-x, -y+1/2, z', 'x, -y+1/2, z', '-x, y, z'], ['x, y, z', '-x, -y+3/2, z', 'x, -y+3/2, z', '-x, y, z'], ['x, y, z', '-x+1, -y+3/2, z', 'x, -y+3/2, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+5/2, z', 'x, -y+5/2, z', '-x+1, y, z']], [['x, y, z', 'x, -y+1/2, z', '-x+1/2, y, -z+3/2', '-x+1/2, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+1/2, z', '-x+3/2, y, -z+3/2', '-x+3/2, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, z', '-x+3/2, y, -z+5/2', '-x+3/2, -y+3/2, -z+5/2'], ['x, y, z', 'x, -y+3/2, z', '-x+5/2, y, -z+5/2', '-x+5/2, -y+3/2, -z+5/2']], [['x, y, z', 'x, -y+1/2, z', '-x+1/2, y, -z+1/2', '-x+1/2, -y+1/2, -z+1/2'], ['x, y, z', 'x, -y+1/2, z', '-x+3/2, y, -z+1/2', '-x+3/2, -y+1/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, z', '-x+3/2, y, -z+3/2', '-x+3/2, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, z', '-x+5/2, y, -z+3/2', '-x+5/2, -y+3/2, -z+3/2']], [['x, y, z', 'x, -y, -z+1', '-x, -y, -z+1', '-x, y, z'], ['x, y, z', 'x, -y+1, -z+1', '-x, -y+1, -z+1', '-x, y, z'], ['x, y, z', 'x, -y+1, -z+2', '-x+1, -y+1, -z+2', '-x+1, y, z'], ['x, y, z', 'x, -y+2, -z+2', '-x+1, -y+2, -z+2', '-x+1, y, z']], [['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z'], ['x, y, z', 'x, -y+1, -z', '-x, -y+1, -z', '-x, y, z'], ['x, y, z', 'x, -y+1, -z+1', '-x+1, -y+1, -z+1', '-x+1, y, z'], ['x, y, z', 'x, -y+2, -z+1', '-x+1, -y+2, -z+1', '-x+1, y, z']]]\"\n75,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z']]]\"\n76,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]]\"\n77,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']]]\"\n78,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]]\"\n79,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+2, -y+1, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']]]\"\n80,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+2, z']]]\"\n81,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+1', '-y+1, x, -z+1']], [['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z', '-y+1, x, -z']], [['x, y, z', '-x, -y, z', 'y, -x, -z+1', '-y, x, -z+1']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z']]]\"\n82,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+2, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y+1, z', 'y-1/2, -x+1/2, -z+3/2', '-y+1/2, x+1/2, -z+3/2'], ['x, y, z', '-x+1, -y+2, z', 'y-1/2, -x+3/2, -z+5/2', '-y+3/2, x+1/2, -z+5/2']], [['x, y, z', '-x, -y+1, z', 'y-1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-x+1, -y+2, z', 'y-1/2, -x+3/2, -z+3/2', '-y+3/2, x+1/2, -z+3/2']], [['x, y, z', '-x, -y, z', 'y, -x, -z+1', '-y, x, -z+1'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+2', '-y+1, x, -z+2']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+1', '-y+1, x, -z+1']]]\"\n83,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z+1', 'x, y, -z+1']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'y, -x+1, -z+1', '-y+1, x, -z+1']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, -y+1, -z', 'x, y, -z', 'y, -x+1, -z', '-y+1, x, -z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z+1', 'x, y, -z+1', 'y, -x, -z+1', '-y, x, -z+1']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z']]]\"\n84,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+1/2', '-y+1, x, -z+1/2'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+3/2', '-y+1, x, -z+3/2']], [['x, y, z', '-x, -y, z', 'y, -x, -z+1/2', '-y, x, -z+1/2'], ['x, y, z', '-x, -y, z', 'y, -x, -z+3/2', '-y, x, -z+3/2']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z+1', 'x, y, -z+1']], [['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z+1', 'x, y, -z+1']], [['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y, z', '-x, -y, -z+1', 'x, y, -z+1']]]\"\n85,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z']], [['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x, -y+1, -z+1']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y+1, -z']], [['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, x, z', 'y, -x+3/2, z']], [['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, -x+1, -z+1', '-y+1, x+1/2, -z+1'], ['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, -x+1, -z+1', '-y+1, x-1/2, -z+1']], [['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, -x+1, -z', '-y+1, x+1/2, -z'], ['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, -x+1, -z', '-y+1, x-1/2, -z']]]\"\n86,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z']], [['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z']], [['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y, -z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+1, -y, -z+1']], [['x, y, z', '-x+1/2, -y+1/2, z', 'y, -x+1/2, -z+3/2', '-y+1/2, x, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, z', 'y, -x+3/2, -z+1/2', '-y+3/2, x, -z+1/2']], [['x, y, z', '-x+1/2, -y+1/2, z', 'y, -x+1/2, -z+1/2', '-y+1/2, x, -z+1/2'], ['x, y, z', '-x+3/2, -y+3/2, z', 'y, -x+3/2, -z+3/2', '-y+3/2, x, -z+3/2']]]\"\n87,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+2, -y+1, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+2, -y+1, z']], [['x, y, z', '-x+1/2, -y+1/2, -z+1/2'], ['x, y, z', '-x+3/2, -y+3/2, -z+1/2'], ['x, y, z', '-x+3/2, -y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+3/2, -z+1/2'], ['x, y, z', '-x+3/2, -y+3/2, -z+3/2'], ['x, y, z', '-x+5/2, -y+5/2, -z+3/2'], ['x, y, z', '-x+5/2, -y+3/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+5/2, -z+3/2']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']], [['x, y, z', '-x, -y+1, z', 'y-1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x-1/2, -z+1/2'], ['x, y, z', '-x+1, -y+2, z', 'y-1/2, -x+3/2, -z+3/2', '-y+3/2, x+1/2, -z+3/2'], ['x, y, z', '-x+2, -y+1, z', 'y+1/2, -x+3/2, -z+3/2', '-y+3/2, x-1/2, -z+3/2']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y+2, z', '-x+1, -y+2, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+2, -y+1, z', '-x+2, -y+1, -z+1', 'x, y, -z+1']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z+1', 'x, y, -z+1', 'y, -x, -z+1', '-y, x, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, -y+1, -z+2', 'x, y, -z+2', 'y, -x+1, -z+2', '-y+1, x, -z+2']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'y, -x+1, -z+1', '-y+1, x, -z+1']]]\"\n88,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1/2, z'], ['x, y, z', '-x+1, -y+1/2, z'], ['x, y, z', '-x, -y+3/2, z'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x+2, -y+3/2, z'], ['x, y, z', '-x+1, -y+5/2, z'], ['x, y, z', '-x+2, -y+5/2, z']], [['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x+3/2, -y+1/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, -z+1/2'], ['x, y, z', '-x+1, -y+1, -z+2'], ['x, y, z', '-x+2, -y+1, -z+1'], ['x, y, z', '-x+5/2, -y+3/2, -z+5/2'], ['x, y, z', '-x+5/2, -y+5/2, -z+3/2']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x+3/2, -y+1/2, -z+1/2'], ['x, y, z', '-x+3/2, -y+3/2, -z+3/2'], ['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x+2, -y+1, -z+2'], ['x, y, z', '-x+5/2, -y+3/2, -z+3/2'], ['x, y, z', '-x+5/2, -y+5/2, -z+5/2']], [['x, y, z', '-y+1/4, x+1/4, -z+5/4', '-x, -y+1/2, z', 'y-1/4, -x+1/4, -z+5/4'], ['x, y, z', 'y+1/4, -x+3/4, -z+7/4', '-x+1, -y+1/2, z', '-y+3/4, x-1/4, -z+7/4'], ['x, y, z', '-y+5/4, x+1/4, -z+9/4', '-x+1, -y+3/2, z', 'y-1/4, -x+5/4, -z+9/4'], ['x, y, z', 'y+1/4, -x+7/4, -z+11/4', '-x+2, -y+3/2, z', '-y+7/4, x-1/4, -z+11/4']], [['x, y, z', '-y+1/4, x+1/4, -z+1/4', '-x, -y+1/2, z', 'y-1/4, -x+1/4, -z+1/4'], ['x, y, z', 'y+1/4, -x+3/4, -z+3/4', '-x+1, -y+1/2, z', '-y+3/4, x-1/4, -z+3/4'], ['x, y, z', '-y+5/4, x+1/4, -z+5/4', '-x+1, -y+3/2, z', 'y-1/4, -x+5/4, -z+5/4'], ['x, y, z', 'y+1/4, -x+7/4, -z+7/4', '-x+2, -y+3/2, z', '-y+7/4, x-1/4, -z+7/4']]]\"\n89,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z']], [['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1']], [['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, y, -z+1']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z']], [['x, y, z', 'y, x, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-y, -x, -z+1']], [['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-y, -x, -z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1'], ['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'y, x, -z+1', '-y+1, -x+1, -z+1']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, y, -z', 'x, -y+1, -z', 'y, x, -z', '-y+1, -x+1, -z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1', 'x, -y, -z+1', 'y, x, -z+1', '-y, -x, -z+1']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z']]]\"\n90,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y+1, -x+1, -z+1'], ['x, y, z', '-y+1, -x+1, -z+1']], [['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y+1, -x+1, -z'], ['x, y, z', '-y+1, -x+1, -z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x, -y+1, z', '-y+1/2, x+1/2, z', 'y-1/2, -x+1/2, z'], ['x, y, z', '-x+1, -y, z', '-y+1/2, x-1/2, z', 'y+1/2, -x+1/2, z']], [['x, y, z', '-x, -y, z', 'y, x, -z+1', '-y, -x, -z+1'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z+1', '-y+1, -x+1, -z+1']], [['x, y, z', '-x, -y, z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z', '-y+1, -x+1, -z']]]\"\n91,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, -z+3/4'], ['x, y, z', 'y, x, -z+7/4'], ['x, y, z', '-y, -x, -z+5/4'], ['x, y, z', '-y, -x, -z+1/4']], [['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', 'x, -y+1, -z+1/2'], ['x, y, z', 'x, -y+1, -z+3/2']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2']]]\"\n92,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y+1, -x+1, -z+1/2'], ['x, y, z', '-y+1, -x+1, -z+3/2']]]\"\n93,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-y, -x, -z+1/2']], [['x, y, z', 'y, x, -z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, y, -z+1']], [['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z']], [['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x+1, -y+1, z', 'y, x, -z+1/2', '-y+1, -x+1, -z+1/2'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z+3/2', '-y+1, -x+1, -z+3/2']], [['x, y, z', '-x, -y, z', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', 'y, x, -z+3/2', '-y, -x, -z+3/2']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z']], [['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1']]]\"\n94,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y+1, -x+1, -z'], ['x, y, z', '-y+1, -x+1, -z']], [['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y+1, -x+1, -z+1'], ['x, y, z', '-y+1, -x+1, -z+1']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x, -y, z', 'y, x, -z+1', '-y, -x, -z+1'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z', '-y+1, -x+1, -z']], [['x, y, z', '-x, -y, z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z+1', '-y+1, -x+1, -z+1']]]\"\n95,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, -z+5/4'], ['x, y, z', 'y, x, -z+1/4'], ['x, y, z', '-y, -x, -z+3/4'], ['x, y, z', '-y, -x, -z+7/4']], [['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, -z+1/2']], [['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y, -z+1/2']]]\"\n96,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y+1, -x+1, -z+3/2'], ['x, y, z', '-y+1, -x+1, -z+1/2']]]\"\n97,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y-1/2, x+1/2, -z+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', '-y+3/2, -x+3/2, -z+3/2'], ['x, y, z', '-y+3/2, -x+3/2, -z+3/2']], [['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', 'x, -y+1, -z+2'], ['x, y, z', 'x, -y+1, -z+2'], ['x, y, z', '-x+1, y, -z+2'], ['x, y, z', '-x+1, y, -z+2']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, y, -z+1']], [['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y+1, -x+1, -z+1'], ['x, y, z', '-y+1, -x+1, -z+1']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+2, -y+1, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+2, -y+1, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']], [['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x+1, -y+2, z', 'y-1/2, x+1/2, -z+3/2', '-y+3/2, -x+3/2, -z+3/2'], ['x, y, z', '-x+2, -y+1, z', 'y+1/2, x-1/2, -z+3/2', '-y+3/2, -x+3/2, -z+3/2']], [['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+1', 'x, -y+2, -z+1'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+1', 'x, -y+1, -z+1']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1', 'x, -y, -z+1', 'y, x, -z+1', '-y, -x, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, y, -z+2', 'x, -y+1, -z+2', 'y, x, -z+2', '-y+1, -x+1, -z+2']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'y, x, -z+1', '-y+1, -x+1, -z+1']]]\"\n98,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, -z+1/4'], ['x, y, z', 'x, -y+1/2, -z+5/4'], ['x, y, z', '-x+3/2, y, -z+3/4'], ['x, y, z', '-x+3/2, y, -z+7/4'], ['x, y, z', 'x, -y+3/2, -z+5/4'], ['x, y, z', 'x, -y+3/2, -z+9/4'], ['x, y, z', '-x+5/2, y, -z+7/4'], ['x, y, z', '-x+5/2, y, -z+11/4']], [['x, y, z', '-y, -x, -z'], ['x, y, z', '-y+1, -x+1, -z+1'], ['x, y, z', 'y-1/2, x+1/2, -z+1/2'], ['x, y, z', 'y+1/2, x-1/2, -z+3/2'], ['x, y, z', '-y+1, -x+1, -z+1'], ['x, y, z', '-y+2, -x+2, -z+2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', 'y+1/2, x-1/2, -z+5/2']], [['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', 'y, x, -z+2'], ['x, y, z', '-y+3/2, -x+3/2, -z+3/2'], ['x, y, z', '-y+3/2, -x+3/2, -z+5/2']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+2, -y+1, z'], ['x, y, z', '-x+2, -y+2, z']], [['x, y, z', '-y, -x, -z+1', '-x, -y, z', 'y, x, -z+1'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2', '-x, -y+1, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-y+1, -x+1, -z+2', '-x+1, -y+1, z', 'y, x, -z+2'], ['x, y, z', 'y-1/2, x+1/2, -z+5/2', '-x+1, -y+2, z', '-y+3/2, -x+3/2, -z+5/2']], [['x, y, z', '-y, -x, -z', '-x, -y, z', 'y, x, -z'], ['x, y, z', 'y-1/2, x+1/2, -z+1/2', '-x, -y+1, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-y+1, -x+1, -z+1', '-x+1, -y+1, z', 'y, x, -z+1'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2', '-x+1, -y+2, z', '-y+3/2, -x+3/2, -z+3/2']]]\"\n99,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z']], [['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z']]]\"\n100,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z']], [['x, y, z', '-x+1, -y, z', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x, -y+1, z', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']]]\"\n101,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z']]]\"\n102,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', '-y+1, -x+1, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z']]]\"\n103,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z']]]\"\n104,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']]]\"\n105,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z']]]\"\n106,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']]]\"\n107,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', '-y+1, -x+1, z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z'], ['x, y, z', '-x+2, -y+1, z', 'x, -y+1, z', '-x+2, y, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z']]]\"\n108,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-y+3/2, -x+3/2, z'], ['x, y, z', '-y+3/2, -x+3/2, z']], [['x, y, z', '-x+1, -y, z', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x, -y+1, z', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+2, -y+1, z', '-y+3/2, -x+3/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1, -y+2, z', '-y+3/2, -x+3/2, z', 'y-1/2, x+1/2, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']]]\"\n109,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+2, y, z'], ['x, y, z', 'x, -y+2, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', 'x, -y, z', '-x, -y, z', '-x, y, z'], ['x, y, z', 'x, -y+1, z', '-x, -y+1, z', '-x, y, z'], ['x, y, z', 'x, -y+1, z', '-x+1, -y+1, z', '-x+1, y, z'], ['x, y, z', 'x, -y+2, z', '-x+1, -y+2, z', '-x+1, y, z']]]\"\n110,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+2, z']]]\"\n111,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z']], [['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1']], [['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, y, -z+1']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1'], ['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z']], [['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z', '-y+1, x, -z', '-x+1, y, -z', 'x, -y+1, -z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y, z', 'y, -x, -z+1', '-y, x, -z+1', '-x, y, -z+1', 'x, -y, -z+1', '-y, -x, z', 'y, x, z']], [['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+1', '-y+1, x, -z+1', '-x+1, y, -z+1', 'x, -y+1, -z+1', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x, y, -z', 'x, -y, -z', '-y, -x, z', 'y, x, z']]]\"\n112,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y, -z+3/2']], [['x, y, z', 'x, -y+1, -z+1/2'], ['x, y, z', 'x, -y+1, -z+1/2'], ['x, y, z', '-x+1, y, -z+3/2'], ['x, y, z', '-x+1, y, -z+3/2']], [['x, y, z', '-x+1, y, -z+1/2'], ['x, y, z', '-x+1, y, -z+1/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, -z+3/2']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x, y, -z+3/2']], [['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z', '-y+1, x, -z'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+1', '-y+1, x, -z+1']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z+1', '-y, x, -z+1']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1/2', 'x, -y+1, -z+1/2'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+3/2', 'x, -y, -z+3/2']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1/2', 'x, -y+1, -z+1/2'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+3/2', 'x, -y+1, -z+3/2']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1/2', 'x, -y, -z+1/2'], ['x, y, z', '-x, -y+1, z', '-x, y, -z+3/2', 'x, -y+1, -z+3/2']], [['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2'], ['x, y, z', '-x, -y, z', '-x, y, -z+3/2', 'x, -y, -z+3/2']]]\"\n113,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y+1, z', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+1, -y, z', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z']], [['x, y, z', '-x, -y, z', 'y, -x, -z+1', '-y, x, -z+1'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+1', '-y+1, x, -z+1']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z', '-y+1, x, -z']]]\"\n114,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y, z', 'y, -x, -z+1', '-y, x, -z+1'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z', '-y+1, x, -z']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+1', '-y+1, x, -z+1']]]\"\n115,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', 'y, x, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-y, -x, -z+1']], [['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-y, -x, -z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z']], [['x, y, z', '-x, -y, z', 'y, -x, -z+1', '-y, x, -z+1', 'x, -y, z', '-x, y, z', 'y, x, -z+1', '-y, -x, -z+1']], [['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+1', '-y+1, x, -z+1', 'x, -y+1, z', '-x+1, y, z', 'y, x, -z+1', '-y+1, -x+1, -z+1']], [['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z', '-y+1, x, -z', 'x, -y+1, z', '-x+1, y, z', 'y, x, -z', '-y+1, -x+1, -z']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', 'y, x, -z', '-y, -x, -z']]]\"\n116,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', 'y, x, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-y, -x, -z+1/2']], [['x, y, z', 'y, x, -z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2']], [['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z', '-y+1, x, -z'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+1', '-y+1, x, -z+1']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z+1', '-y, x, -z+1']], [['x, y, z', '-x+1, -y+1, z', 'y, x, -z+1/2', '-y+1, -x+1, -z+1/2'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z+3/2', '-y+1, -x+1, -z+3/2']], [['x, y, z', '-x, -y, z', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', 'y, x, -z+3/2', '-y, -x, -z+3/2']]]\"\n117,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y-1/2, x+1/2, -z+1'], ['x, y, z', 'y-1/2, x+1/2, -z+1'], ['x, y, z', '-y+1/2, -x+1/2, -z+1'], ['x, y, z', '-y+1/2, -x+1/2, -z+1']], [['x, y, z', 'y-1/2, x+1/2, -z'], ['x, y, z', 'y-1/2, x+1/2, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z+1', '-y+1/2, -x+1/2, -z+1'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z+1', '-y+1/2, -x+1/2, -z+1']], [['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z', '-y+1/2, -x+1/2, -z']], [['x, y, z', '-x, -y, z', 'y, -x, -z+1', '-y, x, -z+1'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+1', '-y+1, x, -z+1']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z', '-y+1, x, -z']]]\"\n118,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', 'y-1/2, x+1/2, -z+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2']], [['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', 'y+1/2, x-1/2, -z+3/2'], ['x, y, z', 'y+1/2, x-1/2, -z+3/2']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z+3/2', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2']], [['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z+3/2', '-y+1/2, -x+1/2, -z+3/2']], [['x, y, z', '-x, -y, z', 'y, -x, -z+1', '-y, x, -z+1'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z', '-y+1, x, -z']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+1', '-y+1, x, -z+1']]]\"\n119,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', 'y-1/2, x+1/2, -z+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', '-y+3/2, -x+3/2, -z+5/2'], ['x, y, z', '-y+3/2, -x+3/2, -z+5/2']], [['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y+1, -x+1, -z+1'], ['x, y, z', '-y+1, -x+1, -z+1']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z'], ['x, y, z', '-x+2, -y+1, z', 'x, -y+1, z', '-x+2, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z', 'y-1/2, -x+1/2, -z+3/2', '-y+1/2, x+1/2, -z+3/2', 'y-1/2, x+1/2, -z+3/2', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z', 'y-1/2, -x+3/2, -z+5/2', '-y+3/2, x+1/2, -z+5/2', 'y-1/2, x+1/2, -z+5/2', '-y+3/2, -x+3/2, -z+5/2']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z', 'y-1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'y-1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z', 'y-1/2, -x+3/2, -z+3/2', '-y+3/2, x+1/2, -z+3/2', 'y-1/2, x+1/2, -z+3/2', '-y+3/2, -x+3/2, -z+3/2']], [['x, y, z', '-x, -y, z', 'y, -x, -z+1', '-y, x, -z+1', 'x, -y, z', '-x, y, z', 'y, x, -z+1', '-y, -x, -z+1'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+2', '-y+1, x, -z+2', 'x, -y+1, z', '-x+1, y, z', 'y, x, -z+2', '-y+1, -x+1, -z+2']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', 'y, x, -z', '-y, -x, -z'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+1', '-y+1, x, -z+1', 'x, -y+1, z', '-x+1, y, z', 'y, x, -z+1', '-y+1, -x+1, -z+1']]]\"\n120,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y-1/2, x+1/2, -z'], ['x, y, z', 'y-1/2, x+1/2, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z'], ['x, y, z', 'y-1/2, x+1/2, -z+1'], ['x, y, z', 'y-1/2, x+1/2, -z+1'], ['x, y, z', '-y+3/2, -x+3/2, -z+1'], ['x, y, z', '-y+3/2, -x+3/2, -z+1']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+2, -y+1, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+2, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', 'y, x, -z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', '-y+1, -x+1, -z+5/2'], ['x, y, z', '-y+1, -x+1, -z+5/2']], [['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x+1, -y+2, z', 'y-1/2, x+1/2, -z+1', '-y+3/2, -x+3/2, -z+1'], ['x, y, z', '-x+2, -y+1, z', 'y+1/2, x-1/2, -z+1', '-y+3/2, -x+3/2, -z+1']], [['x, y, z', '-x, -y+1, z', 'y-1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-x, -y+1, z', 'y-1/2, -x+1/2, -z+3/2', '-y+1/2, x+1/2, -z+3/2'], ['x, y, z', '-x+1, -y+2, z', 'y-1/2, -x+3/2, -z+3/2', '-y+3/2, x+1/2, -z+3/2'], ['x, y, z', '-x+1, -y+2, z', 'y-1/2, -x+3/2, -z+5/2', '-y+3/2, x+1/2, -z+5/2']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', 'y, -x, -z+1', '-y, x, -z+1'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+1', '-y+1, x, -z+1'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+2', '-y+1, x, -z+2']], [['x, y, z', '-x, -y, z', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', 'y, x, -z+3/2', '-y, -x, -z+3/2'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z+3/2', '-y+1, -x+1, -z+3/2'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z+5/2', '-y+1, -x+1, -z+5/2']]]\"\n121,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', '-y+1, -x+1, z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+2, -y+1, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+2, -y+1, z']], [['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', 'x, -y+1, -z+2'], ['x, y, z', 'x, -y+1, -z+2'], ['x, y, z', '-x+1, y, -z+2'], ['x, y, z', '-x+1, y, -z+2']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, y, -z+1']], [['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y+1, z', 'y-1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-x, -y+1, z', 'y-1/2, -x+1/2, -z+3/2', '-y+1/2, x+1/2, -z+3/2'], ['x, y, z', '-x+1, -y+2, z', 'y-1/2, -x+3/2, -z+3/2', '-y+3/2, x+1/2, -z+3/2'], ['x, y, z', '-x+1, -y+2, z', 'y-1/2, -x+3/2, -z+5/2', '-y+3/2, x+1/2, -z+5/2']], [['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+1', 'x, -y+2, -z+1'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+1', 'x, -y+1, -z+1']], [['x, y, z', '-x, -y, z', 'y, -x, -z+1', '-y, x, -z+1', '-x, y, -z+1', 'x, -y, -z+1', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+2', '-y+1, x, -z+2', '-x+1, y, -z+2', 'x, -y+1, -z+2', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z', '-x, y, -z', 'x, -y, -z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+1', '-y+1, x, -z+1', '-x+1, y, -z+1', 'x, -y+1, -z+1', '-y+1, -x+1, z', 'y, x, z']]]\"\n122,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, -z+1/4'], ['x, y, z', 'x, -y+3/2, -z+1/4'], ['x, y, z', '-x+1/2, y, -z+7/4'], ['x, y, z', '-x+3/2, y, -z+7/4'], ['x, y, z', 'x, -y+3/2, -z+5/4'], ['x, y, z', 'x, -y+5/2, -z+5/4'], ['x, y, z', '-x+3/2, y, -z+11/4'], ['x, y, z', '-x+5/2, y, -z+11/4']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+2, -y+1, z'], ['x, y, z', '-x+2, -y+1, z']], [['x, y, z', '-x, -y, z', 'y, -x, -z+1', '-y, x, -z+1'], ['x, y, z', '-x+1, -y, z', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x-1/2, -z+1/2'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+2', '-y+1, x, -z+2'], ['x, y, z', '-x+2, -y+1, z', 'y+1/2, -x+3/2, -z+3/2', '-y+3/2, x-1/2, -z+3/2']], [['x, y, z', '-x, -y, z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x+1, -y, z', 'y+1/2, -x+1/2, -z+3/2', '-y+1/2, x-1/2, -z+3/2'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+1', '-y+1, x, -z+1'], ['x, y, z', '-x+2, -y+1, z', 'y+1/2, -x+3/2, -z+5/2', '-y+3/2, x-1/2, -z+5/2']]]\"\n123,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z']], [['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z']], [['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z']], [['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z']], [['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z'], ['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z'], ['x, y, z', '-y, -x, -z+1', 'x, y, -z+1', '-y, -x, z'], ['x, y, z', '-y, -x, -z+1', 'x, y, -z+1', '-y, -x, z']], [['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z']], [['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z', '-x, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z', '-x+1, -y, -z', 'x, y, -z', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', '-x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', '-x+1, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'y, x, -z+1', '-y+1, -x+1, -z+1', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'y, -x+1, -z+1', '-y+1, x, -z+1', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, y, -z', 'x, -y+1, -z', 'y, x, -z', '-y+1, -x+1, -z', '-x+1, -y+1, -z', 'x, y, -z', 'y, -x+1, -z', '-y+1, x, -z', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1', 'x, -y, -z+1', 'y, x, -z+1', '-y, -x, -z+1', '-x, -y, -z+1', 'x, y, -z+1', 'y, -x, -z+1', '-y, x, -z+1', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z']]]\"\n124,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, -y+1, -z+1/2'], ['x, y, z', 'x, -y+1, -z+1/2'], ['x, y, z', '-x+1, y, -z+1/2'], ['x, y, z', '-x+1, y, -z+1/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', '-x+1, y, -z+3/2'], ['x, y, z', '-x+1, y, -z+3/2']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x, y, -z+3/2']], [['x, y, z', 'y, x, -z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1/2', 'x, -y+1, -z+1/2'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1/2', 'x, -y, -z+1/2'], ['x, y, z', '-x, -y+1, z', '-x, y, -z+3/2', 'x, -y+1, -z+3/2'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+3/2', 'x, -y, -z+3/2']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y+1, z', '-x, -y+1, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z+1', 'x, y, -z+1']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, -y+1, -z', 'x, y, -z', 'y, -x+1, -z', '-y+1, x, -z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'y, -x+1, -z+1', '-y+1, x, -z+1']], [['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, y, -z+1/2', 'x, -y+1, -z+1/2', 'y, x, -z+1/2', '-y+1, -x+1, -z+1/2'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, y, -z+3/2', 'x, -y+1, -z+3/2', 'y, x, -z+3/2', '-y+1, -x+1, -z+3/2']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z+1', 'x, y, -z+1', 'y, -x, -z+1', '-y, x, -z+1']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+3/2', 'x, -y, -z+3/2', 'y, x, -z+3/2', '-y, -x, -z+3/2']]]\"\n125,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y+1, -x+1, z']], [['x, y, z', 'x, -y+1/2, -z+1'], ['x, y, z', 'x, -y+1/2, -z+1'], ['x, y, z', '-x+1/2, y, -z+1'], ['x, y, z', '-x+1/2, y, -z+1'], ['x, y, z', 'x, -y+3/2, -z+1'], ['x, y, z', 'x, -y+3/2, -z+1'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+3/2, y, -z+1']], [['x, y, z', 'x, -y+1/2, -z'], ['x, y, z', 'x, -y+1/2, -z'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', 'x, -y+3/2, -z'], ['x, y, z', 'x, -y+3/2, -z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x+3/2, y, -z']], [['x, y, z', 'y, x, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y+1/2, -x+1/2, -z+1'], ['x, y, z', '-y+1/2, -x+1/2, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y+1/2, -x+1/2, -z+1'], ['x, y, z', '-y+1/2, -x+1/2, -z+1']], [['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z']], [['x, y, z', '-x+3/2, -y+1/2, z', '-y+1, -x+1, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z', '-y+1, -x+1, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z', '-y+1, -x+1, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z', '-y+1, -x+1, z', 'y-1/2, x+1/2, z']], [['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, x, z', 'y, -x+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, x, z', 'y, -x+3/2, z']], [['x, y, z', 'y, x, -z+1', '-x, -y, -z+1', '-y, -x, z'], ['x, y, z', 'y, x, -z+1', '-x+1, -y+1, -z+1', '-y+1, -x+1, z'], ['x, y, z', '-y+1/2, -x+1/2, -z+1', '-x+1, -y, -z+1', 'y+1/2, x-1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, -z+1', '-x, -y+1, -z+1', 'y-1/2, x+1/2, z']], [['x, y, z', 'y, x, -z', '-x, -y, -z', '-y, -x, z'], ['x, y, z', 'y, x, -z', '-x+1, -y+1, -z', '-y+1, -x+1, z'], ['x, y, z', '-y+1/2, -x+1/2, -z', '-x+1, -y, -z', 'y+1/2, x-1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, -z', '-x, -y+1, -z', 'y-1/2, x+1/2, z']], [['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z+1', 'x, -y+1/2, -z+1', 'y+1/2, -x+1, -z+1', '-y+1, x-1/2, -z+1', '-y+1, -x+1, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z+1', 'x, -y+3/2, -z+1', 'y-1/2, -x+1, -z+1', '-y+1, x+1/2, -z+1', '-y+1, -x+1, z', 'y-1/2, x+1/2, z']], [['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z', 'x, -y+1/2, -z', 'y+1/2, -x+1, -z', '-y+1, x-1/2, -z', '-y+1, -x+1, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z', 'x, -y+3/2, -z', 'y-1/2, -x+1, -z', '-y+1, x+1/2, -z', '-y+1, -x+1, z', 'y-1/2, x+1/2, z']], [['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x+1/2, y, -z+1', 'x, -y+1/2, -z+1', 'y, x, -z+1', '-y+1/2, -x+1/2, -z+1'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, x, z', 'y, -x+3/2, z', '-x+3/2, y, -z+1', 'x, -y+3/2, -z+1', 'y, x, -z+1', '-y+3/2, -x+3/2, -z+1']], [['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x+1/2, y, -z', 'x, -y+1/2, -z', 'y, x, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, x, z', 'y, -x+3/2, z', '-x+3/2, y, -z', 'x, -y+3/2, -z', 'y, x, -z', '-y+3/2, -x+3/2, -z']]]\"\n126,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+3/2']], [['x, y, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2']], [['x, y, z', 'y, x, -z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2']], [['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z+1']], [['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, x, z', 'y, -x+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, x, z', 'y, -x+3/2, z']], [['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, -x+1, -z', '-y+1, x+1/2, -z'], ['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, -x+1, -z', '-y+1, x-1/2, -z'], ['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, -x+1, -z+1', '-y+1, x+1/2, -z+1'], ['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, -x+1, -z+1', '-y+1, x-1/2, -z+1']], [['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z+3/2', 'x, -y+3/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z+3/2', 'x, -y+1/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z+1/2', 'x, -y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z+1/2', 'x, -y+3/2, -z+1/2']], [['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x+1/2, y, -z+3/2', 'x, -y+1/2, -z+3/2', 'y, x, -z+3/2', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, x, z', 'y, -x+3/2, z', '-x+3/2, y, -z+1/2', 'x, -y+3/2, -z+1/2', 'y, x, -z+1/2', '-y+3/2, -x+3/2, -z+1/2']], [['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'y, x, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, x, z', 'y, -x+3/2, z', '-x+3/2, y, -z+3/2', 'x, -y+3/2, -z+3/2', 'y, x, -z+3/2', '-y+3/2, -x+3/2, -z+3/2']]]\"\n127,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'y-1/2, x+1/2, -z+1', 'x, y, -z+1', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, -z+1', 'x, y, -z+1', 'y-1/2, x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, -z+1', 'x, y, -z+1', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, -z+1', 'x, y, -z+1', '-y+1/2, -x+1/2, z']], [['x, y, z', 'y-1/2, x+1/2, -z', 'x, y, -z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, -z', 'x, y, -z', 'y-1/2, x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, -z', 'x, y, -z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, -z', 'x, y, -z', '-y+1/2, -x+1/2, z']], [['x, y, z', '-x, -y+1, z', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+1, -y, z', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1, -y, z', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x, -y+1, z', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']], [['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z', '-x, -y+1, -z', 'x, y, -z', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z', '-y+1/2, -x+1/2, -z', '-x+1, -y, -z', 'x, y, -z', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z']], [['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z+1', '-y+1/2, -x+1/2, -z+1', '-x, -y+1, -z+1', 'x, y, -z+1', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z+1', '-y+1/2, -x+1/2, -z+1', '-x+1, -y, -z+1', 'x, y, -z+1', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z+1', 'x, y, -z+1', 'y, -x, -z+1', '-y, x, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'y, -x+1, -z+1', '-y+1, x, -z+1']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, -y+1, -z', 'x, y, -z', 'y, -x+1, -z', '-y+1, x, -z']]]\"\n128,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'y-1/2, x+1/2, -z+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']], [['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z+3/2', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z+3/2', '-y+1/2, -x+1/2, -z+3/2']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z+1', 'x, y, -z+1'], ['x, y, z', '-x, -y+1, z', '-x, -y+1, -z+1', 'x, y, -z+1']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z+1', 'x, y, -z+1', 'y, -x, -z+1', '-y, x, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, -y+1, -z', 'x, y, -z', 'y, -x+1, -z', '-y+1, x, -z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'y, -x+1, -z+1', '-y+1, x, -z+1']]]\"\n129,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z']], [['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+1/2, y, z'], ['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+1/2, z'], ['x, y, z', '-x+3/2, y, z'], ['x, y, z', '-x+3/2, y, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, z']], [['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-y+1, -x+1, -z+1'], ['x, y, z', 'y+1/2, x-1/2, -z+1'], ['x, y, z', 'y-1/2, x+1/2, -z+1'], ['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-y+1, -x+1, -z+1'], ['x, y, z', 'y+1/2, x-1/2, -z+1'], ['x, y, z', 'y-1/2, x+1/2, -z+1']], [['x, y, z', '-y, -x, -z'], ['x, y, z', '-y+1, -x+1, -z'], ['x, y, z', 'y+1/2, x-1/2, -z'], ['x, y, z', 'y-1/2, x+1/2, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-y+1, -x+1, -z'], ['x, y, z', 'y+1/2, x-1/2, -z'], ['x, y, z', 'y-1/2, x+1/2, -z']], [['x, y, z', '-x+3/2, -y+1/2, z', 'x, -y+1/2, z', '-x+3/2, y, z'], ['x, y, z', '-x+1/2, -y+3/2, z', 'x, -y+3/2, z', '-x+1/2, y, z'], ['x, y, z', '-x+1/2, -y+3/2, z', 'x, -y+3/2, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, -y+1/2, z', 'x, -y+1/2, z', '-x+3/2, y, z']], [['x, y, z', '-y, -x, -z+1', '-x, -y, -z+1', 'y, x, z'], ['x, y, z', '-y+1, -x+1, -z+1', '-x+1, -y+1, -z+1', 'y, x, z'], ['x, y, z', 'y+1/2, x-1/2, -z+1', '-x+1, -y, -z+1', '-y+1/2, -x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, -z+1', '-x, -y+1, -z+1', '-y+1/2, -x+1/2, z']], [['x, y, z', '-y, -x, -z', '-x, -y, -z', 'y, x, z'], ['x, y, z', '-y+1, -x+1, -z', '-x+1, -y+1, -z', 'y, x, z'], ['x, y, z', 'y+1/2, x-1/2, -z', '-x+1, -y, -z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, -z', '-x, -y+1, -z', '-y+1/2, -x+1/2, z']], [['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z', 'x, -y+1/2, z', '-x+1/2, y, z', '-y+1/2, -x+1/2, z', 'y, x, z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, x, z', 'y, -x+3/2, z', 'x, -y+3/2, z', '-x+3/2, y, z', '-y+3/2, -x+3/2, z', 'y, x, z']], [['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, -z+1', '-y+1, -x+1, -z+1', 'y+1/2, -x+1, -z+1', '-y+1, x-1/2, -z+1', 'x, -y+1/2, z', '-x+3/2, y, z'], ['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, x+1/2, -z+1', '-y+1, -x+1, -z+1', 'y-1/2, -x+1, -z+1', '-y+1, x+1/2, -z+1', 'x, -y+3/2, z', '-x+1/2, y, z']], [['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, -z', '-y+1, -x+1, -z', 'y+1/2, -x+1, -z', '-y+1, x-1/2, -z', 'x, -y+1/2, z', '-x+3/2, y, z'], ['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, x+1/2, -z', '-y+1, -x+1, -z', 'y-1/2, -x+1, -z', '-y+1, x+1/2, -z', 'x, -y+3/2, z', '-x+1/2, y, z']]]\"\n130,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-y+1, -x+1, -z+1/2'], ['x, y, z', 'y+1/2, x-1/2, -z+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+1/2'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', '-y+1, -x+1, -z+3/2'], ['x, y, z', 'y+1/2, x-1/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2']], [['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x, -y, -z+1']], [['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, x, z', 'y, -x+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, x, z', 'y, -x+3/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, x, z', 'y, -x+1/2, z']], [['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, -x+1, -z', '-y+1, x-1/2, -z'], ['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, -x+1, -z', '-y+1, x+1/2, -z'], ['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, -x+1, -z+1', '-y+1, x+1/2, -z+1'], ['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, -x+1, -z+1', '-y+1, x-1/2, -z+1']], [['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, -z+1/2', '-y+1, -x+1, -z+1/2'], ['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, x+1/2, -z+1/2', '-y+1, -x+1, -z+1/2'], ['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, x+1/2, -z+3/2', '-y+1, -x+1, -z+3/2'], ['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, -z+3/2', '-y+1, -x+1, -z+3/2']]]\"\n131,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z']], [['x, y, z', 'y, x, -z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-y, -x, -z+1/2']], [['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z']], [['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z']], [['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z']], [['x, y, z', '-x+1, -y+1, z', 'y, x, -z+1/2', '-y+1, -x+1, -z+1/2', 'y, -x+1, -z+1/2', '-y+1, x, -z+1/2', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z+3/2', '-y+1, -x+1, -z+3/2', 'y, -x+1, -z+3/2', '-y+1, x, -z+3/2', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x, -y, z', 'y, x, -z+1/2', '-y, -x, -z+1/2', 'y, -x, -z+1/2', '-y, x, -z+1/2', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'y, x, -z+3/2', '-y, -x, -z+3/2', 'y, -x, -z+3/2', '-y, x, -z+3/2', 'x, -y, z', '-x, y, z']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', '-x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z', '-x+1, -y, -z', 'x, y, -z', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z', '-x, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', '-x+1, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x+1, y, z']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', '-x+1, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1', '-x, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x, y, z']]]\"\n132,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'x, -y+1, -z+1/2'], ['x, y, z', 'x, -y+1, -z+1/2'], ['x, y, z', '-x+1, y, -z+3/2'], ['x, y, z', '-x+1, y, -z+3/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', '-x+1, y, -z+1/2'], ['x, y, z', '-x+1, y, -z+1/2']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z'], ['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z']], [['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', '-y, -x, -z+1', 'x, y, -z+1', '-y, -x, z'], ['x, y, z', '-y, -x, -z+1', 'x, y, -z+1', '-y, -x, z']], [['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z+1', 'x, y, -z+1'], ['x, y, z', '-x, -y+1, z', '-x, -y+1, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1/2', 'x, -y+1, -z+1/2'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+3/2', 'x, -y, -z+3/2'], ['x, y, z', '-x, -y+1, z', '-x, y, -z+3/2', 'x, -y+1, -z+3/2'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1/2', 'x, -y, -z+1/2']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1/2', 'x, -y+1, -z+1/2', 'y, -x+1, -z+1/2', '-y+1, x, -z+1/2', '-y+1, -x+1, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+3/2', 'x, -y+1, -z+3/2', 'y, -x+1, -z+3/2', '-y+1, x, -z+3/2', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x+1, -y+1, z', 'y, x, -z', '-y+1, -x+1, -z', '-x+1, -y+1, -z', 'x, y, -z', '-y+1, -x+1, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z+1', '-y+1, -x+1, -z+1', '-x+1, -y+1, -z+1', 'x, y, -z+1', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, -x, -z+1/2', '-y, x, -z+1/2', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-x, y, -z+3/2', 'x, -y, -z+3/2', 'y, -x, -z+3/2', '-y, x, -z+3/2', '-y, -x, z', 'y, x, z']], [['x, y, z', '-x, -y, z', 'y, x, -z', '-y, -x, -z', '-x, -y, -z', 'x, y, -z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', 'y, x, -z+1', '-y, -x, -z+1', '-x, -y, -z+1', 'x, y, -z+1', '-y, -x, z', 'y, x, z']]]\"\n133,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, -z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2']], [['x, y, z', 'x, -y+1/2, -z+1'], ['x, y, z', 'x, -y+1/2, -z+1'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', 'x, -y+3/2, -z+1'], ['x, y, z', 'x, -y+3/2, -z+1'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x+3/2, y, -z']], [['x, y, z', 'x, -y+1/2, -z'], ['x, y, z', 'x, -y+1/2, -z'], ['x, y, z', '-x+1/2, y, -z+1'], ['x, y, z', '-x+1/2, y, -z+1'], ['x, y, z', 'x, -y+3/2, -z'], ['x, y, z', 'x, -y+3/2, -z'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+3/2, y, -z+1']], [['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z+1']], [['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, -x+1, -z+3/2', '-y+1, x-1/2, -z+3/2'], ['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, -x+1, -z+1/2', '-y+1, x+1/2, -z+1/2'], ['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, -x+1, -z+1/2', '-y+1, x-1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, -x+1, -z+3/2', '-y+1, x+1/2, -z+3/2']], [['x, y, z', '-x+1/2, -y+1/2, z', 'y, x, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', 'y, x, -z+3/2', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, z', 'y, x, -z+3/2', '-y+3/2, -x+3/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, z', 'y, x, -z+1/2', '-y+3/2, -x+3/2, -z+1/2']], [['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z', 'x, -y+1/2, -z'], ['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z+1', 'x, -y+3/2, -z+1'], ['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z', 'x, -y+3/2, -z'], ['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z+1', 'x, -y+1/2, -z+1']], [['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z', 'x, -y+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1', 'x, -y+1/2, -z+1'], ['x, y, z', '-x+3/2, -y+3/2, z', '-x+3/2, y, -z', 'x, -y+3/2, -z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-x+3/2, y, -z+1', 'x, -y+3/2, -z+1']]]\"\n134,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y+1, -x+1, z']], [['x, y, z', 'y, x, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z']], [['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z+1'], ['x, y, z', '-y+1/2, -x+1/2, -z+1'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y+1/2, -x+1/2, -z+1'], ['x, y, z', '-y+1/2, -x+1/2, -z+1']], [['x, y, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+1/2']], [['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2']], [['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z']], [['x, y, z', '-x+3/2, -y+1/2, z', '-y+1, -x+1, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z', '-y+1, -x+1, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z', '-y+1, -x+1, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z', '-y+1, -x+1, z', 'y-1/2, x+1/2, z']], [['x, y, z', 'y, x, -z', '-x, -y, -z', '-y, -x, z'], ['x, y, z', 'y, x, -z', '-x+1, -y+1, -z', '-y+1, -x+1, z'], ['x, y, z', '-y+1/2, -x+1/2, -z+1', '-x+1, -y, -z+1', 'y+1/2, x-1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, -z+1', '-x, -y+1, -z+1', 'y-1/2, x+1/2, z']], [['x, y, z', 'y, x, -z+1', '-x, -y, -z+1', '-y, -x, z'], ['x, y, z', 'y, x, -z+1', '-x+1, -y+1, -z+1', '-y+1, -x+1, z'], ['x, y, z', '-y+1/2, -x+1/2, -z', '-x+1, -y, -z', 'y+1/2, x-1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, -z', '-x, -y+1, -z', 'y-1/2, x+1/2, z']], [['x, y, z', '-x+1/2, -y+1/2, z', 'y, x, -z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-x+1/2, -y+1/2, z', 'y, x, -z+1', '-y+1/2, -x+1/2, -z+1'], ['x, y, z', '-x+3/2, -y+3/2, z', 'y, x, -z', '-y+3/2, -x+3/2, -z'], ['x, y, z', '-x+3/2, -y+3/2, z', 'y, x, -z+1', '-y+3/2, -x+3/2, -z+1']], [['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+3/2', 'x, -y+1/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, z', '-x+3/2, y, -z+3/2', 'x, -y+3/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, z', '-x+3/2, y, -z+1/2', 'x, -y+3/2, -z+1/2']], [['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'y+1/2, -x+1, -z+1/2', '-y+1, x-1/2, -z+1/2', '-y+1, -x+1, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z+3/2', 'x, -y+3/2, -z+3/2', 'y-1/2, -x+1, -z+3/2', '-y+1, x+1/2, -z+3/2', '-y+1, -x+1, z', 'y-1/2, x+1/2, z']], [['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z+1/2', 'x, -y+3/2, -z+1/2', 'y-1/2, -x+1, -z+1/2', '-y+1, x+1/2, -z+1/2', '-y+1, -x+1, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z+3/2', 'x, -y+1/2, -z+3/2', 'y+1/2, -x+1, -z+3/2', '-y+1, x-1/2, -z+3/2', '-y+1, -x+1, z', 'y+1/2, x-1/2, z']]]\"\n135,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'y-1/2, x+1/2, -z+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z+3/2', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z+3/2', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y+1, z', '-x, -y+1, -z+1', 'x, y, -z+1']], [['x, y, z', '-x, -y, z', 'y, -x, -z+1/2', '-y, x, -z+1/2'], ['x, y, z', '-x, -y, z', 'y, -x, -z+3/2', '-y, x, -z+3/2'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+3/2', '-y+1, x, -z+3/2'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+1/2', '-y+1, x, -z+1/2']], [['x, y, z', '-x, -y, z', '-x, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y, z', '-x, -y, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z+1', 'x, y, -z+1']]]\"\n136,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z'], ['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z'], ['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z']], [['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', '-y+1, -x+1, -z+1', 'x, y, -z+1', '-y+1, -x+1, z'], ['x, y, z', '-y+1, -x+1, -z+1', 'x, y, -z+1', '-y+1, -x+1, z']], [['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, -x, z', 'y, x, z']], [['x, y, z', '-x, -y+1, z', 'y-1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-x, -y+1, z', 'y-1/2, -x+1/2, -z+3/2', '-y+1/2, x+1/2, -z+3/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x-1/2, -z+1/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, -x+1/2, -z+3/2', '-y+1/2, x-1/2, -z+3/2']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x, -y+1, z', '-x, -y+1, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z']], [['x, y, z', '-x, -y, z', 'y, x, -z+1', '-y, -x, -z+1', '-x, -y, -z+1', 'x, y, -z+1', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z', '-y+1, -x+1, -z', '-x+1, -y+1, -z', 'x, y, -z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y, z', 'y, x, -z', '-y, -x, -z', '-x, -y, -z', 'x, y, -z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z+1', '-y+1, -x+1, -z+1', '-x+1, -y+1, -z+1', 'x, y, -z+1', '-y+1, -x+1, z', 'y, x, z']]]\"\n137,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, y, z'], ['x, y, z', '-x+1/2, y, z'], ['x, y, z', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+1/2, z'], ['x, y, z', '-x+3/2, y, z'], ['x, y, z', '-x+3/2, y, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, z']], [['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-y+1, -x+1, -z+1/2'], ['x, y, z', 'y+1/2, x-1/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', '-y+1, -x+1, -z+3/2'], ['x, y, z', 'y+1/2, x-1/2, -z+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+1/2']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x, -y, -z+1']], [['x, y, z', '-x+1/2, -y+1/2, z', 'x, -y+1/2, z', '-x+1/2, y, z'], ['x, y, z', '-x+1/2, -y+1/2, z', 'x, -y+1/2, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, -y+3/2, z', 'x, -y+3/2, z', '-x+3/2, y, z'], ['x, y, z', '-x+3/2, -y+3/2, z', 'x, -y+3/2, z', '-x+3/2, y, z']], [['x, y, z', '-x+3/2, -y+1/2, z', 'x, -y+1/2, z', '-x+3/2, y, z'], ['x, y, z', '-x+1/2, -y+3/2, z', 'x, -y+3/2, z', '-x+1/2, y, z'], ['x, y, z', '-x+1/2, -y+3/2, z', 'x, -y+3/2, z', '-x+1/2, y, z'], ['x, y, z', '-x+3/2, -y+1/2, z', 'x, -y+1/2, z', '-x+3/2, y, z']], [['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, -z+1/2', '-y+1, -x+1, -z+1/2', 'y+1/2, -x+1, -z+1/2', '-y+1, x-1/2, -z+1/2', 'x, -y+1/2, z', '-x+3/2, y, z'], ['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, x+1/2, -z+3/2', '-y+1, -x+1, -z+3/2', 'y-1/2, -x+1, -z+3/2', '-y+1, x+1/2, -z+3/2', 'x, -y+3/2, z', '-x+1/2, y, z']], [['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, -z+3/2', '-y+1, -x+1, -z+3/2', 'y+1/2, -x+1, -z+3/2', '-y+1, x-1/2, -z+3/2', 'x, -y+1/2, z', '-x+3/2, y, z'], ['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, x+1/2, -z+1/2', '-y+1, -x+1, -z+1/2', 'y-1/2, -x+1, -z+1/2', '-y+1, x+1/2, -z+1/2', 'x, -y+3/2, z', '-x+1/2, y, z']]]\"\n138,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z']], [['x, y, z', '-y, -x, -z'], ['x, y, z', '-y+1, -x+1, -z'], ['x, y, z', 'y+1/2, x-1/2, -z+1'], ['x, y, z', 'y-1/2, x+1/2, -z+1'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-y+1, -x+1, -z'], ['x, y, z', 'y+1/2, x-1/2, -z+1'], ['x, y, z', 'y-1/2, x+1/2, -z+1']], [['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-y+1, -x+1, -z+1'], ['x, y, z', 'y+1/2, x-1/2, -z'], ['x, y, z', 'y-1/2, x+1/2, -z'], ['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-y+1, -x+1, -z+1'], ['x, y, z', 'y+1/2, x-1/2, -z'], ['x, y, z', 'y-1/2, x+1/2, -z']], [['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z']], [['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, -x+1/2, z', 'y, x, z'], ['x, y, z', '-x+1/2, -y+1/2, z', '-y+1/2, -x+1/2, z', 'y, x, z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, -x+3/2, z', 'y, x, z'], ['x, y, z', '-x+3/2, -y+3/2, z', '-y+3/2, -x+3/2, z', 'y, x, z']], [['x, y, z', '-y, -x, -z', '-x, -y, -z', 'y, x, z'], ['x, y, z', '-y+1, -x+1, -z', '-x+1, -y+1, -z', 'y, x, z'], ['x, y, z', 'y+1/2, x-1/2, -z+1', '-x+1, -y, -z+1', '-y+1/2, -x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, -z+1', '-x, -y+1, -z+1', '-y+1/2, -x+1/2, z']], [['x, y, z', '-y, -x, -z+1', '-x, -y, -z+1', 'y, x, z'], ['x, y, z', '-y+1, -x+1, -z+1', '-x+1, -y+1, -z+1', 'y, x, z'], ['x, y, z', 'y+1/2, x-1/2, -z', '-x+1, -y, -z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, -z', '-x, -y+1, -z', '-y+1/2, -x+1/2, z']], [['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, -x+1, -z+3/2', '-y+1, x-1/2, -z+3/2'], ['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, -x+1, -z+1/2', '-y+1, x+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, -x+1, -z+3/2', '-y+1, x+1/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, -x+1, -z+1/2', '-y+1, x-1/2, -z+1/2']], [['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, -z', '-y+1, -x+1, -z'], ['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, x+1/2, -z+1', '-y+1, -x+1, -z+1'], ['x, y, z', '-x+1/2, -y+3/2, z', 'y-1/2, x+1/2, -z', '-y+1, -x+1, -z'], ['x, y, z', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, -z+1', '-y+1, -x+1, -z+1']]]\"\n139,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'y-1/2, x+1/2, -z+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', '-y+3/2, -x+3/2, -z+3/2'], ['x, y, z', '-y+3/2, -x+3/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+5/2'], ['x, y, z', 'y-1/2, x+1/2, -z+5/2'], ['x, y, z', '-y+3/2, -x+3/2, -z+5/2'], ['x, y, z', '-y+3/2, -x+3/2, -z+5/2']], [['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', 'x, -y+2, -z+1', 'x, y, -z+1', 'x, -y+2, z'], ['x, y, z', 'x, -y+2, -z+1', 'x, y, -z+1', 'x, -y+2, z'], ['x, y, z', '-x+2, y, -z+1', 'x, y, -z+1', '-x+2, y, z'], ['x, y, z', '-x+2, y, -z+1', 'x, y, -z+1', '-x+2, y, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z']], [['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z'], ['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z'], ['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z'], ['x, y, z', '-y+1, -x+1, -z+1', 'x, y, -z+1', '-y+1, -x+1, z'], ['x, y, z', '-y+1, -x+1, -z+1', 'x, y, -z+1', '-y+1, -x+1, z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z'], ['x, y, z', '-x+2, -y+1, z', 'x, -y+1, z', '-x+2, y, z'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z'], ['x, y, z', '-x+2, -y+1, z', 'x, -y+1, z', '-x+2, y, z']], [['x, y, z', 'y, x, z', '-y+1/2, -x+1/2, -z+1/2', '-x+1/2, -y+1/2, -z+1/2'], ['x, y, z', 'y, x, z', '-y+3/2, -x+3/2, -z+1/2', '-x+3/2, -y+3/2, -z+1/2'], ['x, y, z', '-y+1, -x+1, z', 'y+1/2, x-1/2, -z+1/2', '-x+3/2, -y+1/2, -z+1/2'], ['x, y, z', '-y+1, -x+1, z', 'y-1/2, x+1/2, -z+1/2', '-x+1/2, -y+3/2, -z+1/2'], ['x, y, z', 'y, x, z', '-y+3/2, -x+3/2, -z+3/2', '-x+3/2, -y+3/2, -z+3/2'], ['x, y, z', 'y, x, z', '-y+5/2, -x+5/2, -z+3/2', '-x+5/2, -y+5/2, -z+3/2'], ['x, y, z', '-y+2, -x+2, z', 'y+1/2, x-1/2, -z+3/2', '-x+5/2, -y+3/2, -z+3/2'], ['x, y, z', '-y+2, -x+2, z', 'y-1/2, x+1/2, -z+3/2', '-x+3/2, -y+5/2, -z+3/2']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z', 'y-1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', 'y-1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z', 'y+1/2, x-1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x-1/2, -z+1/2'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z', 'y-1/2, x+1/2, -z+3/2', '-y+3/2, -x+3/2, -z+3/2', 'y-1/2, -x+3/2, -z+3/2', '-y+3/2, x+1/2, -z+3/2'], ['x, y, z', '-x+2, -y+1, z', 'x, -y+1, z', '-x+2, y, z', 'y+1/2, x-1/2, -z+3/2', '-y+3/2, -x+3/2, -z+3/2', 'y+1/2, -x+3/2, -z+3/2', '-y+3/2, x-1/2, -z+3/2']], [['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z', '-x, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z', '-x+1, -y, -z', 'x, y, -z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+1', 'x, -y+2, -z+1', '-x+1, -y+2, -z+1', 'x, y, -z+1', 'x, -y+2, z', '-x+1, y, z'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+1', 'x, -y+1, -z+1', '-x+2, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x+2, y, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1', 'x, -y, -z+1', 'y, x, -z+1', '-y, -x, -z+1', '-x, -y, -z+1', 'x, y, -z+1', 'y, -x, -z+1', '-y, x, -z+1', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, y, -z+2', 'x, -y+1, -z+2', 'y, x, -z+2', '-y+1, -x+1, -z+2', '-x+1, -y+1, -z+2', 'x, y, -z+2', 'y, -x+1, -z+2', '-y+1, x, -z+2', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z', 'x, -y, -z', 'y, x, -z', '-y, -x, -z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'y, x, -z+1', '-y+1, -x+1, -z+1', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'y, -x+1, -z+1', '-y+1, x, -z+1', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z']]]\"\n140,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-y+3/2, -x+3/2, z'], ['x, y, z', '-y+3/2, -x+3/2, z'], ['x, y, z', '-y+3/2, -x+3/2, z'], ['x, y, z', '-y+3/2, -x+3/2, z'], ['x, y, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'y+1/2, x-1/2, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+2'], ['x, y, z', 'x, y, -z+2'], ['x, y, z', 'x, y, -z+2'], ['x, y, z', 'x, y, -z+2']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', '-x, y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', '-x, y, -z+3/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', '-x+1, y, -z+3/2'], ['x, y, z', '-x+1, y, -z+3/2'], ['x, y, z', 'x, -y+1, -z+5/2'], ['x, y, z', 'x, -y+1, -z+5/2'], ['x, y, z', '-x+1, y, -z+5/2'], ['x, y, z', '-x+1, y, -z+5/2']], [['x, y, z', 'y, x, -z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', '-y+1, -x+1, -z+3/2'], ['x, y, z', '-y+1, -x+1, -z+3/2'], ['x, y, z', 'y, x, -z+5/2'], ['x, y, z', 'y, x, -z+5/2'], ['x, y, z', '-y+1, -x+1, -z+5/2'], ['x, y, z', '-y+1, -x+1, -z+5/2']], [['x, y, z', 'x, y, -z', 'y-1/2, x+1/2, -z', 'y-1/2, x+1/2, z'], ['x, y, z', 'x, y, -z', 'y-1/2, x+1/2, -z', 'y-1/2, x+1/2, z'], ['x, y, z', 'x, y, -z', '-y+1/2, -x+1/2, -z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, y, -z', '-y+1/2, -x+1/2, -z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, y, -z+1', 'y-1/2, x+1/2, -z+1', 'y-1/2, x+1/2, z'], ['x, y, z', 'x, y, -z+1', 'y-1/2, x+1/2, -z+1', 'y-1/2, x+1/2, z'], ['x, y, z', 'x, y, -z+1', '-y+3/2, -x+3/2, -z+1', '-y+3/2, -x+3/2, z'], ['x, y, z', 'x, y, -z+1', '-y+3/2, -x+3/2, -z+1', '-y+3/2, -x+3/2, z']], [['x, y, z', '-x, -y+1, z', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+1, -y, z', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x, -y+1, z', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+1, -y, z', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1, -y+2, z', '-y+3/2, -x+3/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+2, -y+1, z', '-y+3/2, -x+3/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1, -y+2, z', '-y+3/2, -x+3/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+2, -y+1, z', '-y+3/2, -x+3/2, z', 'y+1/2, x-1/2, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z']], [['x, y, z', 'y, x, -z+1/2', '-x+1/2, -y+1/2, -z+1/2', '-y+1/2, -x+1/2, z'], ['x, y, z', 'y, x, -z+1/2', '-x+3/2, -y+3/2, -z+1/2', '-y+3/2, -x+3/2, z'], ['x, y, z', '-y+1, -x+1, -z+1/2', '-x+3/2, -y+1/2, -z+1/2', 'y+1/2, x-1/2, z'], ['x, y, z', '-y+1, -x+1, -z+1/2', '-x+1/2, -y+3/2, -z+1/2', 'y-1/2, x+1/2, z'], ['x, y, z', 'y, x, -z+3/2', '-x+3/2, -y+3/2, -z+3/2', '-y+3/2, -x+3/2, z'], ['x, y, z', 'y, x, -z+3/2', '-x+5/2, -y+5/2, -z+3/2', '-y+5/2, -x+5/2, z'], ['x, y, z', '-y+2, -x+2, -z+3/2', '-x+5/2, -y+3/2, -z+3/2', 'y+1/2, x-1/2, z'], ['x, y, z', '-y+2, -x+2, -z+3/2', '-x+3/2, -y+5/2, -z+3/2', 'y-1/2, x+1/2, z']], [['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z', 'y-1/2, x+1/2, -z', '-y+1/2, -x+1/2, -z', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z', 'y+1/2, x-1/2, -z', '-y+1/2, -x+1/2, -z', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1, -y+2, z', '-x+1, -y+2, -z+1', 'x, y, -z+1', 'y-1/2, x+1/2, -z+1', '-y+3/2, -x+3/2, -z+1', '-y+3/2, -x+3/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+2, -y+1, z', '-x+2, -y+1, -z+1', 'x, y, -z+1', 'y+1/2, x-1/2, -z+1', '-y+3/2, -x+3/2, -z+1', '-y+3/2, -x+3/2, z', 'y+1/2, x-1/2, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z', 'x, y, -z', 'y, -x, -z', '-y, x, -z'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, -y, -z+1', 'x, y, -z+1', 'y, -x, -z+1', '-y, x, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'y, -x+1, -z+1', '-y+1, x, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, -y+1, -z+2', 'x, y, -z+2', 'y, -x+1, -z+2', '-y+1, x, -z+2']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1/2', 'x, -y+1, -z+1/2', 'y-1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1/2', 'x, -y, -z+1/2', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x-1/2, -z+1/2', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+3/2', 'x, -y+2, -z+3/2', 'y-1/2, -x+3/2, -z+3/2', '-y+3/2, x+1/2, -z+3/2', '-y+3/2, -x+3/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+3/2', 'x, -y+1, -z+3/2', 'y+1/2, -x+3/2, -z+3/2', '-y+3/2, x-1/2, -z+3/2', '-y+3/2, -x+3/2, z', 'y+1/2, x-1/2, z']], [['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+1/2', 'x, -y, -z+1/2', 'y, x, -z+1/2', '-y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', '-y, x, z', 'y, -x, z', '-x, y, -z+3/2', 'x, -y, -z+3/2', 'y, x, -z+3/2', '-y, -x, -z+3/2'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, y, -z+3/2', 'x, -y+1, -z+3/2', 'y, x, -z+3/2', '-y+1, -x+1, -z+3/2'], ['x, y, z', '-x+1, -y+1, z', '-y+1, x, z', 'y, -x+1, z', '-x+1, y, -z+5/2', 'x, -y+1, -z+5/2', 'y, x, -z+5/2', '-y+1, -x+1, -z+5/2']]]\"\n141,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+1/2, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', 'x, -y+1/2, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+2, y, z'], ['x, y, z', 'x, -y+5/2, z'], ['x, y, z', 'x, -y+3/2, z'], ['x, y, z', '-x+2, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, -y+5/2, z'], ['x, y, z', 'x, -y+3/2, z']], [['x, y, z', 'y-1/4, x+1/4, -z+7/4'], ['x, y, z', 'y-1/4, x+1/4, -z+3/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+1/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+5/4'], ['x, y, z', 'y-3/4, x+3/4, -z+1/4'], ['x, y, z', 'y+1/4, x-1/4, -z+5/4'], ['x, y, z', '-y+1/4, -x+1/4, -z+7/4'], ['x, y, z', '-y+5/4, -x+5/4, -z+3/4'], ['x, y, z', 'y-1/4, x+1/4, -z+11/4'], ['x, y, z', 'y-1/4, x+1/4, -z+7/4'], ['x, y, z', '-y+7/4, -x+7/4, -z+5/4'], ['x, y, z', '-y+7/4, -x+7/4, -z+9/4'], ['x, y, z', 'y-3/4, x+3/4, -z+5/4'], ['x, y, z', 'y+1/4, x-1/4, -z+9/4'], ['x, y, z', '-y+5/4, -x+5/4, -z+11/4'], ['x, y, z', '-y+9/4, -x+9/4, -z+7/4']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z+2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+5/2'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z+2'], ['x, y, z', '-x+5/2, y, -z+5/2'], ['x, y, z', '-x+5/2, y, -z+3/2']], [['x, y, z', '-x, y, z', '-x, -y+1/2, z', 'x, -y+1/2, z'], ['x, y, z', '-x, y, z', '-x, -y+3/2, z', 'x, -y+3/2, z'], ['x, y, z', '-x+1, y, z', '-x+1, -y+1/2, z', 'x, -y+1/2, z'], ['x, y, z', '-x+1, y, z', '-x+1, -y+3/2, z', 'x, -y+3/2, z'], ['x, y, z', '-x+1, y, z', '-x+1, -y+3/2, z', 'x, -y+3/2, z'], ['x, y, z', '-x+1, y, z', '-x+1, -y+5/2, z', 'x, -y+5/2, z'], ['x, y, z', '-x+2, y, z', '-x+2, -y+3/2, z', 'x, -y+3/2, z'], ['x, y, z', '-x+2, y, z', '-x+2, -y+5/2, z', 'x, -y+5/2, z']], [['x, y, z', 'x, -y, -z+1', '-x, -y, -z+1', '-x, y, z'], ['x, y, z', 'x, -y, -z', '-x+1, -y, -z', '-x+1, y, z'], ['x, y, z', '-x+1/2, y, -z+3/2', '-x+1/2, -y+3/2, -z+3/2', 'x, -y+3/2, z'], ['x, y, z', '-x+1/2, y, -z+1/2', '-x+1/2, -y+1/2, -z+1/2', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+1, -z+2', '-x+1, -y+1, -z+2', '-x+1, y, z'], ['x, y, z', 'x, -y+1, -z+1', '-x+2, -y+1, -z+1', '-x+2, y, z'], ['x, y, z', '-x+3/2, y, -z+5/2', '-x+3/2, -y+5/2, -z+5/2', 'x, -y+5/2, z'], ['x, y, z', '-x+3/2, y, -z+3/2', '-x+3/2, -y+3/2, -z+3/2', 'x, -y+3/2, z']], [['x, y, z', 'x, -y, -z', '-x, -y, -z', '-x, y, z'], ['x, y, z', 'x, -y, -z+1', '-x+1, -y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1/2, y, -z+1/2', '-x+1/2, -y+3/2, -z+1/2', 'x, -y+3/2, z'], ['x, y, z', '-x+1/2, y, -z+3/2', '-x+1/2, -y+1/2, -z+3/2', 'x, -y+1/2, z'], ['x, y, z', 'x, -y+1, -z+1', '-x+1, -y+1, -z+1', '-x+1, y, z'], ['x, y, z', 'x, -y+1, -z+2', '-x+2, -y+1, -z+2', '-x+2, y, z'], ['x, y, z', '-x+3/2, y, -z+3/2', '-x+3/2, -y+5/2, -z+3/2', 'x, -y+5/2, z'], ['x, y, z', '-x+3/2, y, -z+5/2', '-x+3/2, -y+3/2, -z+5/2', 'x, -y+3/2, z']], [['x, y, z', '-y+1/4, -x+1/4, -z+3/4', 'y-1/4, -x+1/4, -z+3/4', '-x, y, z', '-x, -y+1/2, z', 'y-1/4, x+1/4, -z+3/4', '-y+1/4, x+1/4, -z+3/4', 'x, -y+1/2, z'], ['x, y, z', 'y-3/4, x+3/4, -z+5/4', '-y+3/4, x+3/4, -z+5/4', '-x, y, z', '-x, -y+3/2, z', '-y+3/4, -x+3/4, -z+5/4', 'y-3/4, -x+3/4, -z+5/4', 'x, -y+3/2, z'], ['x, y, z', '-y+5/4, -x+5/4, -z+7/4', 'y-1/4, -x+5/4, -z+7/4', '-x+1, y, z', '-x+1, -y+3/2, z', 'y-1/4, x+1/4, -z+7/4', '-y+5/4, x+1/4, -z+7/4', 'x, -y+3/2, z'], ['x, y, z', 'y-3/4, x+3/4, -z+9/4', '-y+7/4, x+3/4, -z+9/4', '-x+1, y, z', '-x+1, -y+5/2, z', '-y+7/4, -x+7/4, -z+9/4', 'y-3/4, -x+7/4, -z+9/4', 'x, -y+5/2, z']], [['x, y, z', 'y-3/4, x+3/4, -z+1/4', '-y+3/4, x+3/4, -z+1/4', '-x, y, z', '-x, -y+3/2, z', '-y+3/4, -x+3/4, -z+1/4', 'y-3/4, -x+3/4, -z+1/4', 'x, -y+3/2, z'], ['x, y, z', '-y+5/4, -x+5/4, -z+3/4', 'y-1/4, -x+5/4, -z+3/4', '-x+1, y, z', '-x+1, -y+3/2, z', 'y-1/4, x+1/4, -z+3/4', '-y+5/4, x+1/4, -z+3/4', 'x, -y+3/2, z'], ['x, y, z', 'y-3/4, x+3/4, -z+5/4', '-y+7/4, x+3/4, -z+5/4', '-x+1, y, z', '-x+1, -y+5/2, z', '-y+7/4, -x+7/4, -z+5/4', 'y-3/4, -x+7/4, -z+5/4', 'x, -y+5/2, z'], ['x, y, z', '-y+9/4, -x+9/4, -z+7/4', 'y-1/4, -x+9/4, -z+7/4', '-x+2, y, z', '-x+2, -y+5/2, z', 'y-1/4, x+1/4, -z+7/4', '-y+9/4, x+1/4, -z+7/4', 'x, -y+5/2, z']]]\"\n142,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y-1/4, x+1/4, -z+1/4'], ['x, y, z', 'y-1/4, x+1/4, -z+5/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+3/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+7/4'], ['x, y, z', 'y-3/4, x+3/4, -z+7/4'], ['x, y, z', 'y+1/4, x-1/4, -z+3/4'], ['x, y, z', '-y+1/4, -x+1/4, -z+5/4'], ['x, y, z', '-y+5/4, -x+5/4, -z+1/4'], ['x, y, z', 'y-1/4, x+1/4, -z+5/4'], ['x, y, z', 'y-1/4, x+1/4, -z+9/4'], ['x, y, z', '-y+7/4, -x+7/4, -z+7/4'], ['x, y, z', '-y+7/4, -x+7/4, -z+11/4'], ['x, y, z', 'y-3/4, x+3/4, -z+11/4'], ['x, y, z', 'y+1/4, x-1/4, -z+7/4'], ['x, y, z', '-y+5/4, -x+5/4, -z+9/4'], ['x, y, z', '-y+9/4, -x+9/4, -z+5/4']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+1'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, -z+5/2'], ['x, y, z', '-x+3/2, y, -z+2'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', 'x, -y+1, -z+5/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', '-x+5/2, y, -z+2'], ['x, y, z', '-x+5/2, y, -z+1']], [['x, y, z', '-x, -y+1/2, z'], ['x, y, z', '-x, -y+3/2, z'], ['x, y, z', '-x+1, -y+1/2, z'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x, -y+3/2, z'], ['x, y, z', '-x, -y+1/2, z'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x+1, -y+1/2, z'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x+1, -y+5/2, z'], ['x, y, z', '-x+2, -y+3/2, z'], ['x, y, z', '-x+2, -y+5/2, z'], ['x, y, z', '-x+1, -y+5/2, z'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x+2, -y+5/2, z'], ['x, y, z', '-x+2, -y+3/2, z']], [['x, y, z', '-x, -y, -z'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x+1/2, -y+3/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, -z+3/2'], ['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y, -z+1'], ['x, y, z', '-x+1/2, -y+3/2, -z+3/2'], ['x, y, z', '-x+1/2, -y+1/2, -z+1/2'], ['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x+2, -y+1, -z+2'], ['x, y, z', '-x+3/2, -y+5/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, -z+5/2'], ['x, y, z', '-x+2, -y+1, -z+1'], ['x, y, z', '-x+1, -y+1, -z+2'], ['x, y, z', '-x+3/2, -y+5/2, -z+5/2'], ['x, y, z', '-x+3/2, -y+3/2, -z+3/2']], [['x, y, z', '-y+1/4, -x+1/4, -z+1/4', '-x, -y+1/2, z', 'y-1/4, x+1/4, -z+1/4'], ['x, y, z', 'y-3/4, x+3/4, -z+3/4', '-x, -y+3/2, z', '-y+3/4, -x+3/4, -z+3/4'], ['x, y, z', 'y-3/4, x+3/4, -z+7/4', '-x, -y+3/2, z', '-y+3/4, -x+3/4, -z+7/4'], ['x, y, z', '-y+1/4, -x+1/4, -z+5/4', '-x, -y+1/2, z', 'y-1/4, x+1/4, -z+5/4'], ['x, y, z', '-y+5/4, -x+5/4, -z+5/4', '-x+1, -y+3/2, z', 'y-1/4, x+1/4, -z+5/4'], ['x, y, z', 'y-3/4, x+3/4, -z+7/4', '-x+1, -y+5/2, z', '-y+7/4, -x+7/4, -z+7/4'], ['x, y, z', 'y-3/4, x+3/4, -z+11/4', '-x+1, -y+5/2, z', '-y+7/4, -x+7/4, -z+11/4'], ['x, y, z', '-y+5/4, -x+5/4, -z+9/4', '-x+1, -y+3/2, z', 'y-1/4, x+1/4, -z+9/4']], [['x, y, z', 'y-1/4, -x+1/4, -z+3/4', '-x, -y+1/2, z', '-y+1/4, x+1/4, -z+3/4'], ['x, y, z', '-y+3/4, x+3/4, -z+5/4', '-x, -y+3/2, z', 'y-3/4, -x+3/4, -z+5/4'], ['x, y, z', '-y+3/4, x-1/4, -z+5/4', '-x+1, -y+1/2, z', 'y+1/4, -x+3/4, -z+5/4'], ['x, y, z', 'y-1/4, -x+5/4, -z+3/4', '-x+1, -y+3/2, z', '-y+5/4, x+1/4, -z+3/4'], ['x, y, z', 'y-1/4, -x+5/4, -z+7/4', '-x+1, -y+3/2, z', '-y+5/4, x+1/4, -z+7/4'], ['x, y, z', '-y+7/4, x+3/4, -z+9/4', '-x+1, -y+5/2, z', 'y-3/4, -x+7/4, -z+9/4'], ['x, y, z', '-y+7/4, x-1/4, -z+9/4', '-x+2, -y+3/2, z', 'y+1/4, -x+7/4, -z+9/4'], ['x, y, z', 'y-1/4, -x+9/4, -z+7/4', '-x+2, -y+5/2, z', '-y+9/4, x+1/4, -z+7/4']]]\"\n143,\"[[['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z']]]\"\n144,\"[[['x, y, z'], ['x, y, z'], ['x, y, z']]]\"\n145,\"[[['x, y, z'], ['x, y, z'], ['x, y, z']]]\"\n146,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']]]\"\n147,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+1, -y+1, -z+1']], [['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y+1, -z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z']]]\"\n148,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x+7/3, -y+2/3, -z+2/3'], ['x, y, z', '-x+4/3, -y+5/3, -z+2/3'], ['x, y, z', '-x+7/3, -y+5/3, -z+2/3'], ['x, y, z', '-x+5/3, -y+4/3, -z+4/3'], ['x, y, z', '-x+2/3, -y+7/3, -z+4/3'], ['x, y, z', '-x+5/3, -y+7/3, -z+4/3']], [['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x+7/3, -y+2/3, -z+5/3'], ['x, y, z', '-x+4/3, -y+5/3, -z+5/3'], ['x, y, z', '-x+7/3, -y+5/3, -z+5/3'], ['x, y, z', '-x+5/3, -y+4/3, -z+7/3'], ['x, y, z', '-x+2/3, -y+7/3, -z+7/3'], ['x, y, z', '-x+5/3, -y+7/3, -z+7/3']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-x+4/3, -y+2/3, -z+5/3', 'y+1/3, -x+y+2/3, -z+5/3', 'x-y+1/3, x-1/3, -z+5/3'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-x+2/3, -y+4/3, -z+7/3', 'y-1/3, -x+y+1/3, -z+7/3', 'x-y+2/3, x+1/3, -z+7/3']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-x+4/3, -y+2/3, -z+2/3', 'y+1/3, -x+y+2/3, -z+2/3', 'x-y+1/3, x-1/3, -z+2/3'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-x+2/3, -y+4/3, -z+4/3', 'y-1/3, -x+y+1/3, -z+4/3', 'x-y+2/3, x+1/3, -z+4/3']]]\"\n149,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-x+y, y, -z+1'], ['x, y, z', 'x, x-y, -z+1']], [['x, y, z', '-y, -x, -z'], ['x, y, z', '-x+y, y, -z'], ['x, y, z', 'x, x-y, -z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z+1', '-x+y+1, y, -z+1', 'x, x-y, -z+1']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z', '-x+y+1, y, -z', 'x, x-y, -z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z+1', '-x+y, y, -z+1', 'x, x-y+1, -z+1']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z', '-x+y, y, -z', 'x, x-y+1, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+1', '-x+y, y, -z+1', 'x, x-y, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z']]]\"\n150,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1'], ['x, y, z', 'y, x, -z+1']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z'], ['x, y, z', 'y, x, -z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1', 'x-y, -y, -z+1', '-x, -x+y, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z']]]\"\n151,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, -z+5/3'], ['x, y, z', '-x+y, y, -z+1/3'], ['x, y, z', 'x, x-y, -z+1']], [['x, y, z', '-y, -x, -z+2/3'], ['x, y, z', '-x+y, y, -z+4/3'], ['x, y, z', 'x, x-y, -z']]]\"\n152,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x-y, -y, -z+5/3'], ['x, y, z', '-x, -x+y, -z+1/3'], ['x, y, z', 'y, x, -z+1']], [['x, y, z', 'x-y, -y, -z+2/3'], ['x, y, z', '-x, -x+y, -z+4/3'], ['x, y, z', 'y, x, -z']]]\"\n153,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, -z+1/3'], ['x, y, z', '-x+y, y, -z+5/3'], ['x, y, z', 'x, x-y, -z+1']], [['x, y, z', '-y, -x, -z+4/3'], ['x, y, z', '-x+y, y, -z+2/3'], ['x, y, z', 'x, x-y, -z']]]\"\n154,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x-y, -y, -z+1/3'], ['x, y, z', '-x, -x+y, -z+5/3'], ['x, y, z', 'y, x, -z+1']], [['x, y, z', 'x-y, -y, -z+4/3'], ['x, y, z', '-x, -x+y, -z+2/3'], ['x, y, z', 'y, x, -z']]]\"\n155,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', 'x-y+1/3, -y+2/3, -z+5/3'], ['x, y, z', '-x+4/3, -x+y+2/3, -z+5/3'], ['x, y, z', 'y+1/3, x-1/3, -z+5/3'], ['x, y, z', 'x-y+2/3, -y+4/3, -z+7/3'], ['x, y, z', '-x+2/3, -x+y+1/3, -z+7/3'], ['x, y, z', 'y-1/3, x+1/3, -z+7/3']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'x-y+1/3, -y+2/3, -z+2/3'], ['x, y, z', '-x+4/3, -x+y+2/3, -z+2/3'], ['x, y, z', 'y+1/3, x-1/3, -z+2/3'], ['x, y, z', 'x-y+2/3, -y+4/3, -z+4/3'], ['x, y, z', '-x+2/3, -x+y+1/3, -z+4/3'], ['x, y, z', 'y-1/3, x+1/3, -z+4/3']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1', 'x-y, -y, -z+1', '-x, -x+y, -z+1'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'y+1/3, x-1/3, -z+5/3', 'x-y+1/3, -y+2/3, -z+5/3', '-x+4/3, -x+y+2/3, -z+5/3'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'y-1/3, x+1/3, -z+7/3', 'x-y+2/3, -y+4/3, -z+7/3', '-x+2/3, -x+y+1/3, -z+7/3']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'y+1/3, x-1/3, -z+2/3', 'x-y+1/3, -y+2/3, -z+2/3', '-x+4/3, -x+y+2/3, -z+2/3'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'y-1/3, x+1/3, -z+4/3', 'x-y+2/3, -y+4/3, -z+4/3', '-x+2/3, -x+y+1/3, -z+4/3']]]\"\n156,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', 'x, x-y, z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z']]]\"\n157,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']]]\"\n158,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']]]\"\n159,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']]]\"\n160,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', '-x+y+1, y, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', 'x, x-y+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z']]]\"\n161,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']]]\"\n162,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'x-y, -y, z'], ['x, y, z', 'y, x, z']], [['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-x+y, y, -z+1'], ['x, y, z', 'x, x-y, -z+1'], ['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-x+y, y, -z+1'], ['x, y, z', 'x, x-y, -z+1']], [['x, y, z', '-y, -x, -z'], ['x, y, z', '-x+y, y, -z'], ['x, y, z', 'x, x-y, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-x+y, y, -z'], ['x, y, z', 'x, x-y, -z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-x+y+1, y, -z+1', '-x+1, -y, -z+1', 'x-y, -y, z'], ['x, y, z', 'x, x-y+1, -z+1', '-x, -y+1, -z+1', '-x, -x+y, z'], ['x, y, z', '-y+1, -x+1, -z+1', '-x+1, -y+1, -z+1', 'y, x, z']], [['x, y, z', '-x+y+1, y, -z', '-x+1, -y, -z', 'x-y, -y, z'], ['x, y, z', 'x, x-y+1, -z', '-x, -y+1, -z', '-x, -x+y, z'], ['x, y, z', '-y+1, -x+1, -z', '-x+1, -y+1, -z', 'y, x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z+1', '-x+y, y, -z+1', 'x, x-y+1, -z+1'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z+1', '-x+y+1, y, -z+1', 'x, x-y, -z+1']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z', '-x+y, y, -z', 'x, x-y+1, -z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z', '-x+y+1, y, -z', 'x, x-y, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+1', '-x+y, y, -z+1', 'x, x-y, -z+1', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']]]\"\n163,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-x+y, y, -z+1/2'], ['x, y, z', 'x, x-y, -z+1/2'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', '-x+y, y, -z+3/2'], ['x, y, z', 'x, x-y, -z+3/2']], [['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z+1']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z+1/2', '-x+y+1, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z+3/2', '-x+y, y, -z+3/2', 'x, x-y+1, -z+3/2']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y+1, -z+1/2'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z+3/2', '-x+y+1, y, -z+3/2', 'x, x-y, -z+3/2']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+3/2', '-x+y, y, -z+3/2', 'x, x-y, -z+3/2']]]\"\n164,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-x+y, y, z']], [['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1'], ['x, y, z', 'y, x, -z+1']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z'], ['x, y, z', 'y, x, -z']], [['x, y, z', 'x-y, -y, -z+1', '-x+1, -y, -z+1', '-x+y+1, y, z'], ['x, y, z', '-x, -x+y, -z+1', '-x, -y+1, -z+1', 'x, x-y+1, z'], ['x, y, z', 'y, x, -z+1', '-x+1, -y+1, -z+1', '-y+1, -x+1, z']], [['x, y, z', 'x-y, -y, -z', '-x+1, -y, -z', '-x+y+1, y, z'], ['x, y, z', '-x, -x+y, -z', '-x, -y+1, -z', 'x, x-y+1, z'], ['x, y, z', 'y, x, -z', '-x+1, -y+1, -z', '-y+1, -x+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1', 'x-y, -y, -z+1', '-x, -x+y, -z+1', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1', '-y, -x, z', '-x+y, y, z', 'x, x-y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z']]]\"\n165,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x-y, -y, -z+1/2'], ['x, y, z', '-x, -x+y, -z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', 'x-y, -y, -z+3/2'], ['x, y, z', '-x, -x+y, -z+3/2'], ['x, y, z', 'y, x, -z+3/2']], [['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z+1']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+3/2', 'x-y, -y, -z+3/2', '-x, -x+y, -z+3/2']]]\"\n166,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', '-x+y+1, y, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-x+y+1, y, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', 'x, x-y+1, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', 'x, x-y+1, z'], ['x, y, z', '-x+y, y, z']], [['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', 'x-y+1/3, -y+2/3, -z+5/3'], ['x, y, z', '-x+4/3, -x+y+2/3, -z+5/3'], ['x, y, z', 'y+1/3, x-1/3, -z+5/3'], ['x, y, z', 'x-y+1/3, -y+2/3, -z+5/3'], ['x, y, z', '-x+4/3, -x+y+2/3, -z+5/3'], ['x, y, z', 'y+1/3, x-1/3, -z+5/3'], ['x, y, z', 'x-y+2/3, -y+4/3, -z+7/3'], ['x, y, z', '-x+2/3, -x+y+1/3, -z+7/3'], ['x, y, z', 'y-1/3, x+1/3, -z+7/3'], ['x, y, z', 'x-y+2/3, -y+4/3, -z+7/3'], ['x, y, z', '-x+2/3, -x+y+1/3, -z+7/3'], ['x, y, z', 'y-1/3, x+1/3, -z+7/3']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'x-y+1/3, -y+2/3, -z+2/3'], ['x, y, z', '-x+4/3, -x+y+2/3, -z+2/3'], ['x, y, z', 'y+1/3, x-1/3, -z+2/3'], ['x, y, z', 'x-y+1/3, -y+2/3, -z+2/3'], ['x, y, z', '-x+4/3, -x+y+2/3, -z+2/3'], ['x, y, z', 'y+1/3, x-1/3, -z+2/3'], ['x, y, z', 'x-y+2/3, -y+4/3, -z+4/3'], ['x, y, z', '-x+2/3, -x+y+1/3, -z+4/3'], ['x, y, z', 'y-1/3, x+1/3, -z+4/3'], ['x, y, z', 'x-y+2/3, -y+4/3, -z+4/3'], ['x, y, z', '-x+2/3, -x+y+1/3, -z+4/3'], ['x, y, z', 'y-1/3, x+1/3, -z+4/3']], [['x, y, z', 'x-y, -y, -z', '-x+1, -y, -z', '-x+y+1, y, z'], ['x, y, z', '-x, -x+y, -z', '-x, -y+1, -z', 'x, x-y+1, z'], ['x, y, z', 'y, x, -z', '-x+1, -y+1, -z', '-y+1, -x+1, z'], ['x, y, z', '-x+y+2, y, z', 'x-y+1/3, -y+2/3, -z+2/3', '-x+7/3, -y+2/3, -z+2/3'], ['x, y, z', 'x, x-y+1, z', '-x+4/3, -x+y+2/3, -z+2/3', '-x+4/3, -y+5/3, -z+2/3'], ['x, y, z', '-y+2, -x+2, z', 'y+1/3, x-1/3, -z+2/3', '-x+7/3, -y+5/3, -z+2/3'], ['x, y, z', '-x+y+1, y, z', 'x-y+2/3, -y+4/3, -z+4/3', '-x+5/3, -y+4/3, -z+4/3'], ['x, y, z', 'x, x-y+2, z', '-x+2/3, -x+y+1/3, -z+4/3', '-x+2/3, -y+7/3, -z+4/3'], ['x, y, z', '-y+2, -x+2, z', 'y-1/3, x+1/3, -z+4/3', '-x+5/3, -y+7/3, -z+4/3']], [['x, y, z', 'x-y, -y, -z+1', '-x+1, -y, -z+1', '-x+y+1, y, z'], ['x, y, z', '-x, -x+y, -z+1', '-x, -y+1, -z+1', 'x, x-y+1, z'], ['x, y, z', 'y, x, -z+1', '-x+1, -y+1, -z+1', '-y+1, -x+1, z'], ['x, y, z', '-x+y+2, y, z', 'x-y+1/3, -y+2/3, -z+5/3', '-x+7/3, -y+2/3, -z+5/3'], ['x, y, z', 'x, x-y+1, z', '-x+4/3, -x+y+2/3, -z+5/3', '-x+4/3, -y+5/3, -z+5/3'], ['x, y, z', '-y+2, -x+2, z', 'y+1/3, x-1/3, -z+5/3', '-x+7/3, -y+5/3, -z+5/3'], ['x, y, z', '-x+y+1, y, z', 'x-y+2/3, -y+4/3, -z+7/3', '-x+5/3, -y+4/3, -z+7/3'], ['x, y, z', 'x, x-y+2, z', '-x+2/3, -x+y+1/3, -z+7/3', '-x+2/3, -y+7/3, -z+7/3'], ['x, y, z', '-y+2, -x+2, z', 'y-1/3, x+1/3, -z+7/3', '-x+5/3, -y+7/3, -z+7/3']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1', 'x-y, -y, -z+1', '-x, -x+y, -z+1', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z', 'y+1/3, x-1/3, -z+5/3', 'x-y+1/3, -y+2/3, -z+5/3', '-x+4/3, -x+y+2/3, -z+5/3', '-x+4/3, -y+2/3, -z+5/3', 'y+1/3, -x+y+2/3, -z+5/3', 'x-y+1/3, x-1/3, -z+5/3'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z', 'y-1/3, x+1/3, -z+7/3', 'x-y+2/3, -y+4/3, -z+7/3', '-x+2/3, -x+y+1/3, -z+7/3', '-x+2/3, -y+4/3, -z+7/3', 'y-1/3, -x+y+1/3, -z+7/3', 'x-y+2/3, x+1/3, -z+7/3']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z', 'y+1/3, x-1/3, -z+2/3', 'x-y+1/3, -y+2/3, -z+2/3', '-x+4/3, -x+y+2/3, -z+2/3', '-x+4/3, -y+2/3, -z+2/3', 'y+1/3, -x+y+2/3, -z+2/3', 'x-y+1/3, x-1/3, -z+2/3'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z', 'y-1/3, x+1/3, -z+4/3', 'x-y+2/3, -y+4/3, -z+4/3', '-x+2/3, -x+y+1/3, -z+4/3', '-x+2/3, -y+4/3, -z+4/3', 'y-1/3, -x+y+1/3, -z+4/3', 'x-y+2/3, x+1/3, -z+4/3']]]\"\n167,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x-y, -y, -z+1/2'], ['x, y, z', '-x, -x+y, -z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', 'x-y, -y, -z+3/2'], ['x, y, z', '-x, -x+y, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', 'x-y+1/3, -y+2/3, -z+7/6'], ['x, y, z', '-x+4/3, -x+y+2/3, -z+7/6'], ['x, y, z', 'y+1/3, x-1/3, -z+7/6'], ['x, y, z', 'x-y+1/3, -y+2/3, -z+13/6'], ['x, y, z', '-x+4/3, -x+y+2/3, -z+13/6'], ['x, y, z', 'y+1/3, x-1/3, -z+13/6'], ['x, y, z', 'x-y+2/3, -y+4/3, -z+11/6'], ['x, y, z', '-x+2/3, -x+y+1/3, -z+11/6'], ['x, y, z', 'y-1/3, x+1/3, -z+11/6'], ['x, y, z', 'x-y+2/3, -y+4/3, -z+17/6'], ['x, y, z', '-x+2/3, -x+y+1/3, -z+17/6'], ['x, y, z', 'y-1/3, x+1/3, -z+17/6']], [['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x+1, -y+1, -z+1'], ['x, y, z', '-x+7/3, -y+2/3, -z+2/3'], ['x, y, z', '-x+4/3, -y+5/3, -z+2/3'], ['x, y, z', '-x+7/3, -y+5/3, -z+2/3'], ['x, y, z', '-x+4/3, -y+5/3, -z+5/3'], ['x, y, z', '-x+7/3, -y+2/3, -z+5/3'], ['x, y, z', '-x+7/3, -y+5/3, -z+5/3'], ['x, y, z', '-x+5/3, -y+4/3, -z+4/3'], ['x, y, z', '-x+2/3, -y+7/3, -z+4/3'], ['x, y, z', '-x+5/3, -y+7/3, -z+4/3'], ['x, y, z', '-x+2/3, -y+7/3, -z+7/3'], ['x, y, z', '-x+5/3, -y+4/3, -z+7/3'], ['x, y, z', '-x+5/3, -y+7/3, -z+7/3']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-x+4/3, -y+2/3, -z+2/3', 'y+1/3, -x+y+2/3, -z+2/3', 'x-y+1/3, x-1/3, -z+2/3'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-x+4/3, -y+2/3, -z+5/3', 'y+1/3, -x+y+2/3, -z+5/3', 'x-y+1/3, x-1/3, -z+5/3'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-x+2/3, -y+4/3, -z+4/3', 'y-1/3, -x+y+1/3, -z+4/3', 'x-y+2/3, x+1/3, -z+4/3'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-x+2/3, -y+4/3, -z+7/3', 'y-1/3, -x+y+1/3, -z+7/3', 'x-y+2/3, x+1/3, -z+7/3']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+3/2', 'x-y, -y, -z+3/2', '-x, -x+y, -z+3/2'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'y+1/3, x-1/3, -z+7/6', 'x-y+1/3, -y+2/3, -z+7/6', '-x+4/3, -x+y+2/3, -z+7/6'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'y+1/3, x-1/3, -z+13/6', 'x-y+1/3, -y+2/3, -z+13/6', '-x+4/3, -x+y+2/3, -z+13/6'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'y-1/3, x+1/3, -z+11/6', 'x-y+2/3, -y+4/3, -z+11/6', '-x+2/3, -x+y+1/3, -z+11/6'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'y-1/3, x+1/3, -z+17/6', 'x-y+2/3, -y+4/3, -z+17/6', '-x+2/3, -x+y+1/3, -z+17/6']]]\"\n168,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z']]]\"\n169,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]]\"\n170,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']]]\"\n171,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']]]\"\n172,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']]]\"\n173,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']]]\"\n174,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z+1', '-y+1, x-y, -z+1', '-x+y+1, -x+1, -z+1']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z', '-y+1, x-y, -z', '-x+y+1, -x+1, -z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z+1', '-y+1, x-y+1, -z+1', '-x+y, -x+1, -z+1']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z', '-y+1, x-y+1, -z', '-x+y, -x+1, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+1', '-y, x-y, -z+1', '-x+y, -x, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z']]]\"\n175,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']], [['x, y, z', '-x+1, -y, z', '-x+1, -y, -z+1', 'x, y, -z+1'], ['x, y, z', '-x, -y+1, z', '-x, -y+1, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z+1', 'x, y, -z+1']], [['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z', 'x, y, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z+1', '-y+1, x-y+1, -z+1', '-x+y, -x+1, -z+1'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z+1', '-y+1, x-y, -z+1', '-x+y+1, -x+1, -z+1']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z', '-y+1, x-y+1, -z', '-x+y, -x+1, -z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z', '-y+1, x-y, -z', '-x+y+1, -x+1, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1', 'x, y, -z+1', '-y, x-y, -z+1', '-x+y, -x, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z']]]\"\n176,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+3/2']], [['x, y, z', '-x+1, -y, -z'], ['x, y, z', '-x, -y+1, -z'], ['x, y, z', '-x+1, -y+1, -z'], ['x, y, z', '-x+1, -y, -z+1'], ['x, y, z', '-x, -y+1, -z+1'], ['x, y, z', '-x+1, -y+1, -z+1']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z+1/2', '-y+1, x-y, -z+1/2', '-x+y+1, -x+1, -z+1/2'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z+3/2', '-y+1, x-y+1, -z+3/2', '-x+y, -x+1, -z+3/2']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z+1/2', '-y+1, x-y+1, -z+1/2', '-x+y, -x+1, -z+1/2'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z+3/2', '-y+1, x-y, -z+3/2', '-x+y+1, -x+1, -z+3/2']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+3/2', '-y, x-y, -z+3/2', '-x+y, -x, -z+3/2']]]\"\n177,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-x+y, y, -z+1'], ['x, y, z', 'x, x-y, -z+1'], ['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-x+y, y, -z+1'], ['x, y, z', 'x, x-y, -z+1']], [['x, y, z', '-y, -x, -z'], ['x, y, z', '-x+y, y, -z'], ['x, y, z', 'x, x-y, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-x+y, y, -z'], ['x, y, z', 'x, x-y, -z']], [['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1'], ['x, y, z', 'y, x, -z+1']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z'], ['x, y, z', 'y, x, -z']], [['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']], [['x, y, z', '-x+1, -y, z', 'x-y, -y, -z+1', '-x+y+1, y, -z+1'], ['x, y, z', '-x, -y+1, z', '-x, -x+y, -z+1', 'x, x-y+1, -z+1'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z+1', '-y+1, -x+1, -z+1']], [['x, y, z', '-x+1, -y, z', 'x-y, -y, -z', '-x+y+1, y, -z'], ['x, y, z', '-x, -y+1, z', '-x, -x+y, -z', 'x, x-y+1, -z'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z', '-y+1, -x+1, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z+1', '-x+y, y, -z+1', 'x, x-y+1, -z+1'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z+1', '-x+y+1, y, -z+1', 'x, x-y, -z+1']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z', '-x+y, y, -z', 'x, x-y+1, -z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z', '-x+y+1, y, -z', 'x, x-y, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z+1', 'x-y, -y, -z+1', '-x, -x+y, -z+1', '-y, -x, -z+1', '-x+y, y, -z+1', 'x, x-y, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z']]]\"\n178,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+y, y, -z+1/2'], ['x, y, z', 'x, x-y, -z+7/6'], ['x, y, z', '-y, -x, -z+11/6'], ['x, y, z', '-x+y, y, -z+3/2'], ['x, y, z', 'x, x-y, -z+1/6'], ['x, y, z', '-y, -x, -z+5/6']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z+2/3'], ['x, y, z', 'y, x, -z+4/3'], ['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+5/3'], ['x, y, z', 'y, x, -z+1/3']]]\"\n179,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+y, y, -z+3/2'], ['x, y, z', 'x, x-y, -z+5/6'], ['x, y, z', '-y, -x, -z+1/6'], ['x, y, z', '-x+y, y, -z+1/2'], ['x, y, z', 'x, x-y, -z+11/6'], ['x, y, z', '-y, -x, -z+7/6']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z+4/3'], ['x, y, z', 'y, x, -z+2/3'], ['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1/3'], ['x, y, z', 'y, x, -z+5/3']]]\"\n180,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+y, y, -z+1'], ['x, y, z', 'x, x-y, -z+1/3'], ['x, y, z', '-y, -x, -z+5/3'], ['x, y, z', '-x+y, y, -z+1'], ['x, y, z', 'x, x-y, -z+1/3'], ['x, y, z', '-y, -x, -z+5/3']], [['x, y, z', '-x+y, y, -z'], ['x, y, z', 'x, x-y, -z+4/3'], ['x, y, z', '-y, -x, -z+2/3'], ['x, y, z', '-x+y, y, -z'], ['x, y, z', 'x, x-y, -z+4/3'], ['x, y, z', '-y, -x, -z+2/3']], [['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1/3'], ['x, y, z', 'y, x, -z+5/3'], ['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1/3'], ['x, y, z', 'y, x, -z+5/3']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z+4/3'], ['x, y, z', 'y, x, -z+2/3'], ['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z+4/3'], ['x, y, z', 'y, x, -z+2/3']], [['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x+1, -y, z', 'x-y, -y, -z+1', '-x+y+1, y, -z+1'], ['x, y, z', '-x, -y+1, z', '-x, -x+y, -z+1/3', 'x, x-y+1, -z+1/3'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z+5/3', '-y+1, -x+1, -z+5/3']], [['x, y, z', '-x+1, -y, z', 'x-y, -y, -z', '-x+y+1, y, -z'], ['x, y, z', '-x, -y+1, z', '-x, -x+y, -z+4/3', 'x, x-y+1, -z+4/3'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z+2/3', '-y+1, -x+1, -z+2/3']], [['x, y, z', '-x, -y, z', 'x-y, -y, -z+1', '-x+y, y, -z+1'], ['x, y, z', '-x, -y, z', '-x, -x+y, -z+1/3', 'x, x-y, -z+1/3'], ['x, y, z', '-x, -y, z', 'y, x, -z+5/3', '-y, -x, -z+5/3']], [['x, y, z', '-x, -y, z', 'x-y, -y, -z', '-x+y, y, -z'], ['x, y, z', '-x, -y, z', '-x, -x+y, -z+4/3', 'x, x-y, -z+4/3'], ['x, y, z', '-x, -y, z', 'y, x, -z+2/3', '-y, -x, -z+2/3']]]\"\n181,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+y, y, -z+1'], ['x, y, z', 'x, x-y, -z+5/3'], ['x, y, z', '-y, -x, -z+1/3'], ['x, y, z', '-x+y, y, -z+1'], ['x, y, z', 'x, x-y, -z+5/3'], ['x, y, z', '-y, -x, -z+1/3']], [['x, y, z', '-x+y, y, -z'], ['x, y, z', 'x, x-y, -z+2/3'], ['x, y, z', '-y, -x, -z+4/3'], ['x, y, z', '-x+y, y, -z'], ['x, y, z', 'x, x-y, -z+2/3'], ['x, y, z', '-y, -x, -z+4/3']], [['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+5/3'], ['x, y, z', 'y, x, -z+1/3'], ['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+5/3'], ['x, y, z', 'y, x, -z+1/3']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z+2/3'], ['x, y, z', 'y, x, -z+4/3'], ['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z+2/3'], ['x, y, z', 'y, x, -z+4/3']], [['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', '-x+1, -y, z', 'x-y, -y, -z+1', '-x+y+1, y, -z+1'], ['x, y, z', '-x, -y+1, z', '-x, -x+y, -z+5/3', 'x, x-y+1, -z+5/3'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z+1/3', '-y+1, -x+1, -z+1/3']], [['x, y, z', '-x+1, -y, z', 'x-y, -y, -z', '-x+y+1, y, -z'], ['x, y, z', '-x, -y+1, z', '-x, -x+y, -z+2/3', 'x, x-y+1, -z+2/3'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z+4/3', '-y+1, -x+1, -z+4/3']], [['x, y, z', '-x, -y, z', 'x-y, -y, -z+1', '-x+y, y, -z+1'], ['x, y, z', '-x, -y, z', '-x, -x+y, -z+5/3', 'x, x-y, -z+5/3'], ['x, y, z', '-x, -y, z', 'y, x, -z+1/3', '-y, -x, -z+1/3']], [['x, y, z', '-x, -y, z', 'x-y, -y, -z', '-x+y, y, -z'], ['x, y, z', '-x, -y, z', '-x, -x+y, -z+2/3', 'x, x-y, -z+2/3'], ['x, y, z', '-x, -y, z', 'y, x, -z+4/3', '-y, -x, -z+4/3']]]\"\n182,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+y, y, -z+1/2'], ['x, y, z', 'x, x-y, -z+1/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-x+y, y, -z+3/2'], ['x, y, z', 'x, x-y, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1'], ['x, y, z', 'y, x, -z+1']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z+3/2', '-x+y, y, -z+3/2', 'x, x-y+1, -z+3/2'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z+1/2', '-x+y+1, y, -z+1/2', 'x, x-y, -z+1/2']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y+1, -z+1/2'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z+3/2', '-x+y+1, y, -z+3/2', 'x, x-y, -z+3/2']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+3/2', '-x+y, y, -z+3/2', 'x, x-y, -z+3/2']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1', 'x-y, -y, -z+1', '-x, -x+y, -z+1']]]\"\n183,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', 'x, x-y, z']], [['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z']], [['x, y, z', '-x+1, -y, z', '-x+y+1, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -y+1, z', 'x, x-y+1, z', '-x, -x+y, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']]]\"\n184,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z']]]\"\n185,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']]]\"\n186,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', 'x, x-y, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z']]]\"\n187,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', 'x, x-y, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'x, y, -z+1', '-y, -x, z', '-y, -x, -z+1'], ['x, y, z', 'x, y, -z+1', '-x+y, y, z', '-x+y, y, -z+1'], ['x, y, z', 'x, y, -z+1', 'x, x-y, z', 'x, x-y, -z+1']], [['x, y, z', 'x, y, -z', '-y, -x, z', '-y, -x, -z'], ['x, y, z', 'x, y, -z', '-x+y, y, z', '-x+y, y, -z'], ['x, y, z', 'x, y, -z', 'x, x-y, z', 'x, x-y, -z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z+1', '-y+1, x-y, -z+1', '-x+y+1, -x+1, -z+1', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z', '-y+1, -x+1, -z+1', '-x+y+1, y, -z+1', 'x, x-y, -z+1']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z', '-y+1, x-y, -z', '-x+y+1, -x+1, -z', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z', '-y+1, -x+1, -z', '-x+y+1, y, -z', 'x, x-y, -z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z+1', '-y+1, x-y+1, -z+1', '-x+y, -x+1, -z+1', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z', '-y+1, -x+1, -z+1', '-x+y, y, -z+1', 'x, x-y+1, -z+1']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z', '-y+1, x-y+1, -z', '-x+y, -x+1, -z', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z', '-y+1, -x+1, -z', '-x+y, y, -z', 'x, x-y+1, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+1', '-y, x-y, -z+1', '-x+y, -x, -z+1', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', '-y, -x, -z+1', '-x+y, y, -z+1', 'x, x-y, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z']]]\"\n188,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+3/2']], [['x, y, z', '-y, -x, -z'], ['x, y, z', '-x+y, y, -z'], ['x, y, z', 'x, x-y, -z'], ['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-x+y, y, -z+1'], ['x, y, z', 'x, x-y, -z+1']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z+1/2', '-y+1, x-y, -z+1/2', '-x+y+1, -x+1, -z+1/2'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z+3/2', '-y+1, x-y, -z+3/2', '-x+y+1, -x+1, -z+3/2']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z', '-x+y+1, y, -z', 'x, x-y, -z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z+1', '-x+y+1, y, -z+1', 'x, x-y, -z+1']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z+1/2', '-y+1, x-y+1, -z+1/2', '-x+y, -x+1, -z+1/2'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z+3/2', '-y+1, x-y+1, -z+3/2', '-x+y, -x+1, -z+3/2']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z', '-x+y, y, -z', 'x, x-y+1, -z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z+1', '-x+y, y, -z+1', 'x, x-y+1, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+3/2', '-y, x-y, -z+3/2', '-x+y, -x, -z+3/2']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+1', '-x+y, y, -z+1', 'x, x-y, -z+1']]]\"\n189,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', 'x, y, -z+1', 'x-y, -y, -z+1', 'x-y, -y, z'], ['x, y, z', 'x, y, -z+1', '-x, -x+y, -z+1', '-x, -x+y, z'], ['x, y, z', 'x, y, -z+1', 'y, x, -z+1', 'y, x, z']], [['x, y, z', 'x, y, -z', 'x-y, -y, -z', 'x-y, -y, z'], ['x, y, z', 'x, y, -z', '-x, -x+y, -z', '-x, -x+y, z'], ['x, y, z', 'x, y, -z', 'y, x, -z', 'y, x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z+1', '-y+1, x-y+1, -z+1', '-x+y, -x+1, -z+1'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z+1', '-y+1, x-y, -z+1', '-x+y+1, -x+1, -z+1']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z', '-y+1, x-y+1, -z', '-x+y, -x+1, -z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z', '-y+1, x-y, -z', '-x+y+1, -x+1, -z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+1', '-y, x-y, -z+1', '-x+y, -x, -z+1', 'y, x, -z+1', 'x-y, -y, -z+1', '-x, -x+y, -z+1', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']]]\"\n190,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+3/2']], [['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1'], ['x, y, z', 'y, x, -z+1']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z']], [['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z+1/2', '-y+1, x-y, -z+1/2', '-x+y+1, -x+1, -z+1/2'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z+3/2', '-y+1, x-y+1, -z+3/2', '-x+y, -x+1, -z+3/2']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z+1/2', '-y+1, x-y+1, -z+1/2', '-x+y, -x+1, -z+1/2'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z+3/2', '-y+1, x-y, -z+3/2', '-x+y+1, -x+1, -z+3/2']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'x, y, -z+3/2', '-y, x-y, -z+3/2', '-x+y, -x, -z+3/2']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1', 'x-y, -y, -z+1', '-x, -x+y, -z+1']]]\"\n191,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-x+y, y, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', 'x, x-y, z'], ['x, y, z', '-x+y, y, z'], ['x, y, z', '-y, -x, z']], [['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'x-y, -y, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'x-y, -y, z'], ['x, y, z', 'y, x, z']], [['x, y, z', '-x+y, y, -z+1', 'x, y, -z+1', '-x+y, y, z'], ['x, y, z', 'x, x-y, -z+1', 'x, y, -z+1', 'x, x-y, z'], ['x, y, z', '-y, -x, -z+1', 'x, y, -z+1', '-y, -x, z'], ['x, y, z', '-x+y, y, -z+1', 'x, y, -z+1', '-x+y, y, z'], ['x, y, z', 'x, x-y, -z+1', 'x, y, -z+1', 'x, x-y, z'], ['x, y, z', '-y, -x, -z+1', 'x, y, -z+1', '-y, -x, z']], [['x, y, z', '-x+y, y, -z', 'x, y, -z', '-x+y, y, z'], ['x, y, z', 'x, x-y, -z', 'x, y, -z', 'x, x-y, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z'], ['x, y, z', '-x+y, y, -z', 'x, y, -z', '-x+y, y, z'], ['x, y, z', 'x, x-y, -z', 'x, y, -z', 'x, x-y, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z']], [['x, y, z', 'x-y, -y, -z+1', 'x, y, -z+1', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, -z+1', 'x, y, -z+1', '-x, -x+y, z'], ['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z'], ['x, y, z', 'x-y, -y, -z+1', 'x, y, -z+1', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, -z+1', 'x, y, -z+1', '-x, -x+y, z'], ['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z']], [['x, y, z', 'x-y, -y, -z', 'x, y, -z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, -z', 'x, y, -z', '-x, -x+y, z'], ['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', 'x-y, -y, -z', 'x, y, -z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, -z', 'x, y, -z', '-x, -x+y, z'], ['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z']], [['x, y, z', '-x+1, -y, z', '-x+y+1, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -y+1, z', 'x, x-y+1, z', '-x, -x+y, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z'], ['x, y, z', '-x, -y+1, z', 'x, x-y+1, z', '-x, -x+y, z'], ['x, y, z', '-x+1, -y, z', '-x+y+1, y, z', 'x-y, -y, z'], ['x, y, z', '-x+1, -y+1, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z']], [['x, y, z', '-x+1, -y, z', 'x-y, -y, -z+1', '-x+y+1, y, -z+1', '-x+1, -y, -z+1', 'x, y, -z+1', '-x+y+1, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -y+1, z', '-x, -x+y, -z+1', 'x, x-y+1, -z+1', '-x, -y+1, -z+1', 'x, y, -z+1', 'x, x-y+1, z', '-x, -x+y, z'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z+1', '-y+1, -x+1, -z+1', '-x+1, -y+1, -z+1', 'x, y, -z+1', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x+1, -y, z', 'x-y, -y, -z', '-x+y+1, y, -z', '-x+1, -y, -z', 'x, y, -z', '-x+y+1, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -y+1, z', '-x, -x+y, -z', 'x, x-y+1, -z', '-x, -y+1, -z', 'x, y, -z', 'x, x-y+1, z', '-x, -x+y, z'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z', '-y+1, -x+1, -z', '-x+1, -y+1, -z', 'x, y, -z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z+1', '-x+y, y, -z+1', 'x, x-y+1, -z+1', 'x, y, -z+1', '-y+1, x-y+1, -z+1', '-x+y, -x+1, -z+1', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z+1', '-x+y+1, y, -z+1', 'x, x-y, -z+1', 'x, y, -z+1', '-y+1, x-y, -z+1', '-x+y+1, -x+1, -z+1', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z', '-x+y, y, -z', 'x, x-y+1, -z', 'x, y, -z', '-y+1, x-y+1, -z', '-x+y, -x+1, -z', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z', '-x+y+1, y, -z', 'x, x-y, -z', 'x, y, -z', '-y+1, x-y, -z', '-x+y+1, -x+1, -z', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z+1', 'x-y, -y, -z+1', '-x, -x+y, -z+1', '-y, -x, -z+1', '-x+y, y, -z+1', 'x, x-y, -z+1', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1', 'x, y, -z+1', '-y, x-y, -z+1', '-x+y, -x, -z+1', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']]]\"\n192,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', '-x+y, y, -z+1/2'], ['x, y, z', 'x, x-y, -z+1/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-x+y, y, -z+1/2'], ['x, y, z', 'x, x-y, -z+1/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-x+y, y, -z+3/2'], ['x, y, z', 'x, x-y, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2'], ['x, y, z', '-x+y, y, -z+3/2'], ['x, y, z', 'x, x-y, -z+3/2'], ['x, y, z', '-y, -x, -z+3/2']], [['x, y, z', 'x-y, -y, -z+1/2'], ['x, y, z', '-x, -x+y, -z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', 'x-y, -y, -z+1/2'], ['x, y, z', '-x, -x+y, -z+1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', 'x-y, -y, -z+3/2'], ['x, y, z', '-x, -x+y, -z+3/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', 'x-y, -y, -z+3/2'], ['x, y, z', '-x, -x+y, -z+3/2'], ['x, y, z', 'y, x, -z+3/2']], [['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', '-x+1, -y, z', '-x+1, -y, -z', 'x, y, -z'], ['x, y, z', '-x, -y+1, z', '-x, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z', 'x, y, -z'], ['x, y, z', '-x, -y+1, z', '-x, -y+1, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y, z', '-x+1, -y, -z+1', 'x, y, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-x+1, -y+1, -z+1', 'x, y, -z+1']], [['x, y, z', '-x+1, -y, z', 'x-y, -y, -z+1/2', '-x+y+1, y, -z+1/2'], ['x, y, z', '-x, -y+1, z', '-x, -x+y, -z+1/2', 'x, x-y+1, -z+1/2'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z+1/2', '-y+1, -x+1, -z+1/2'], ['x, y, z', '-x+1, -y, z', 'x-y, -y, -z+3/2', '-x+y+1, y, -z+3/2'], ['x, y, z', '-x, -y+1, z', '-x, -x+y, -z+3/2', 'x, x-y+1, -z+3/2'], ['x, y, z', '-x+1, -y+1, z', 'y, x, -z+3/2', '-y+1, -x+1, -z+3/2']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z', '-y+1, x-y+1, -z', '-x+y, -x+1, -z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z', '-y+1, x-y, -z', '-x+y+1, -x+1, -z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z+1', '-y+1, x-y, -z+1', '-x+y+1, -x+1, -z+1'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z+1', '-y+1, x-y+1, -z+1', '-x+y, -x+1, -z+1']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y+1, -z+1/2'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z+1/2', '-x+y+1, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z+3/2', '-x+y+1, y, -z+3/2', 'x, x-y, -z+3/2'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z+3/2', '-x+y, y, -z+3/2', 'x, x-y+1, -z+3/2']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'x, y, -z', '-y, x-y, -z', '-x+y, -x, -z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1', 'x, y, -z+1', '-y, x-y, -z+1', '-x+y, -x, -z+1']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-x, -y, z', 'y, -x+y, z', 'x-y, x, z', 'y, x, -z+3/2', 'x-y, -y, -z+3/2', '-x, -x+y, -z+3/2', '-y, -x, -z+3/2', '-x+y, y, -z+3/2', 'x, x-y, -z+3/2']]]\"\n193,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z'], ['x, y, z', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'x-y, -y, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-x, -x+y, z'], ['x, y, z', 'x-y, -y, z'], ['x, y, z', 'y, x, z']], [['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+1/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+3/2'], ['x, y, z', 'x, y, -z+3/2']], [['x, y, z', '-x+y, y, -z'], ['x, y, z', 'x, x-y, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-x+y, y, -z+1'], ['x, y, z', 'x, x-y, -z+1'], ['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-x+y, y, -z'], ['x, y, z', 'x, x-y, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-x+y, y, -z+1'], ['x, y, z', 'x, x-y, -z+1'], ['x, y, z', '-y, -x, -z+1']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z']], [['x, y, z', 'x-y, -y, -z+1/2', 'x, y, -z+1/2', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, -z+1/2', 'x, y, -z+1/2', '-x, -x+y, z'], ['x, y, z', 'y, x, -z+1/2', 'x, y, -z+1/2', 'y, x, z'], ['x, y, z', 'x-y, -y, -z+3/2', 'x, y, -z+3/2', 'x-y, -y, z'], ['x, y, z', '-x, -x+y, -z+3/2', 'x, y, -z+3/2', '-x, -x+y, z'], ['x, y, z', 'y, x, -z+3/2', 'x, y, -z+3/2', 'y, x, z']], [['x, y, z', '-x+y+1, y, -z', '-x+1, -y, -z', 'x-y, -y, z'], ['x, y, z', 'x, x-y+1, -z', '-x, -y+1, -z', '-x, -x+y, z'], ['x, y, z', '-y+1, -x+1, -z', '-x+1, -y+1, -z', 'y, x, z'], ['x, y, z', '-x+y+1, y, -z+1', '-x+1, -y, -z+1', 'x-y, -y, z'], ['x, y, z', 'x, x-y+1, -z+1', '-x, -y+1, -z+1', '-x, -x+y, z'], ['x, y, z', '-y+1, -x+1, -z+1', '-x+1, -y+1, -z+1', 'y, x, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z', '-x+y, y, -z', 'x, x-y+1, -z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z+1', '-x+y+1, y, -z+1', 'x, x-y, -z+1'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z', '-x+y+1, y, -z', 'x, x-y, -z'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z+1', '-x+y, y, -z+1', 'x, x-y+1, -z+1']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z+1/2', '-y+1, x-y+1, -z+1/2', '-x+y, -x+1, -z+1/2'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z+3/2', '-y+1, x-y, -z+3/2', '-x+y+1, -x+1, -z+3/2'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', 'x, y, -z+1/2', '-y+1, x-y, -z+1/2', '-x+y+1, -x+1, -z+1/2'], ['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', 'x, y, -z+3/2', '-y+1, x-y+1, -z+3/2', '-x+y, -x+1, -z+3/2']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z', '-x+y, y, -z', 'x, x-y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+1', '-x+y, y, -z+1', 'x, x-y, -z+1', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1/2', 'x-y, -y, -z+1/2', '-x, -x+y, -z+1/2', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+3/2', 'x-y, -y, -z+3/2', '-x, -x+y, -z+3/2', 'x, y, -z+3/2', '-y, x-y, -z+3/2', '-x+y, -x, -z+3/2', 'y, x, z', 'x-y, -y, z', '-x, -x+y, z']]]\"\n194,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], 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-z+1'], ['x, y, z', 'x-y, -y, -z'], ['x, y, z', '-x, -x+y, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', 'x-y, -y, -z+1'], ['x, y, z', '-x, -x+y, -z+1'], ['x, y, z', 'y, x, -z+1']], [['x, y, z', '-x+y, y, -z+1/2', 'x, y, -z+1/2', '-x+y, y, z'], ['x, y, z', 'x, x-y, -z+1/2', 'x, y, -z+1/2', 'x, x-y, z'], ['x, y, z', '-y, -x, -z+1/2', 'x, y, -z+1/2', '-y, -x, z'], ['x, y, z', '-x+y, y, -z+3/2', 'x, y, -z+3/2', '-x+y, y, z'], ['x, y, z', 'x, x-y, -z+3/2', 'x, y, -z+3/2', 'x, x-y, z'], ['x, y, z', '-y, -x, -z+3/2', 'x, y, -z+3/2', '-y, -x, z']], [['x, y, z', 'x-y, -y, -z', '-x+1, -y, -z', '-x+y+1, y, z'], ['x, y, z', '-x, -x+y, -z', '-x, -y+1, -z', 'x, x-y+1, z'], ['x, y, z', 'y, x, -z', '-x+1, -y+1, -z', '-y+1, -x+1, z'], ['x, y, z', 'x-y, -y, -z+1', '-x+1, -y, -z+1', '-x+y+1, y, z'], ['x, y, z', '-x, -x+y, -z+1', '-x, -y+1, -z+1', 'x, x-y+1, z'], ['x, y, z', 'y, x, -z+1', '-x+1, -y+1, -z+1', '-y+1, -x+1, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, z', '-x+y, y, z', 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-x+1, -z+1/2', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z']], [['x, y, z', '-y+1, x-y+1, z', '-x+y, -x+1, z', '-y+1, -x+1, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y+1, -z+1/2', 'x, y, -z+1/2', '-y+1, x-y+1, -z+1/2', '-x+y, -x+1, -z+1/2', '-y+1, -x+1, z', '-x+y, y, z', 'x, x-y+1, z'], ['x, y, z', '-y+1, x-y, z', '-x+y+1, -x+1, z', '-y+1, -x+1, -z+3/2', '-x+y+1, y, -z+3/2', 'x, x-y, -z+3/2', 'x, y, -z+3/2', '-y+1, x-y, -z+3/2', '-x+y+1, -x+1, -z+3/2', '-y+1, -x+1, z', '-x+y+1, y, z', 'x, x-y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+1/2', '-x+y, y, -z+1/2', 'x, x-y, -z+1/2', 'x, y, -z+1/2', '-y, x-y, -z+1/2', '-x+y, -x, -z+1/2', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', '-y, -x, -z+3/2', '-x+y, y, -z+3/2', 'x, x-y, -z+3/2', 'x, y, -z+3/2', '-y, x-y, -z+3/2', '-x+y, -x, -z+3/2', '-y, -x, z', '-x+y, y, z', 'x, x-y, z']], [['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z', 'x-y, -y, -z', '-x, -x+y, -z', '-x, -y, -z', 'y, -x+y, -z', 'x-y, x, -z', '-y, -x, z', '-x+y, y, z', 'x, x-y, z'], ['x, y, z', '-y, x-y, z', '-x+y, -x, z', 'y, x, -z+1', 'x-y, -y, -z+1', '-x, -x+y, -z+1', '-x, -y, -z+1', 'y, -x+y, -z+1', 'x-y, x, -z+1', '-y, -x, z', '-x+y, y, z', 'x, x-y, z']]]\"\n195,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x']]]\"\n196,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+5/2, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+5/2'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+5/2'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+5/2, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', 'x, -y+5/2, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+5/2, -y+3/2, z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', 'y-1/2, z, x+1/2', 'z-1/2, x+1/2, y'], ['x, y, z', 'y-1/2, -z+1, -x+1/2', '-z+1/2, x+1/2, -y+1'], ['x, y, z', '-y+1/2, -z+1, x+1/2', 'z-1/2, -x+1/2, -y+1'], ['x, y, z', '-y+1/2, z, -x+1/2', '-z+1/2, -x+1/2, y'], ['x, y, z', 'z, x-1/2, y+1/2', 'y+1/2, z-1/2, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z, -x+1/2, -y+1/2', '-y+1/2, -z+1/2, x'], ['x, y, z', '-z+1, -x+1/2, y+1/2', '-y+1/2, z-1/2, -x+1'], ['x, y, z', 'y, z+1/2, x-1/2', 'z+1/2, x, y-1/2'], ['x, y, z', 'y, -z+1/2, -x+1/2', '-z+1/2, x, -y+1/2'], ['x, y, z', '-y+1, -z+1/2, x-1/2', 'z+1/2, -x+1, -y+1/2'], ['x, y, z', '-y+1, z+1/2, -x+1/2', '-z+1/2, -x+1, y-1/2']], [['x, y, z', 'z, x, y', 'y, z, x', 'x, -y+3/2, -z+3/2', 'z, -x+3/2, -y+3/2', 'y, -z+3/2, -x+3/2', '-x+3/2, y, -z+3/2', '-z+3/2, x, -y+3/2', '-y+3/2, z, -x+3/2', '-x+3/2, -y+3/2, z', '-z+3/2, -x+3/2, y', '-y+3/2, -z+3/2, x'], ['x, y, z', '-z+2, -x+2, y', '-y+2, z, -x+2', 'x, -y+5/2, -z+5/2', '-z+2, x+1/2, -y+5/2', '-y+2, -z+5/2, x+1/2', '-x+3/2, y, -z+5/2', 'z-1/2, -x+2, -y+5/2', 'y-1/2, z, x+1/2', '-x+3/2, -y+5/2, z', 'z-1/2, x+1/2, y', 'y-1/2, -z+5/2, -x+2'], ['x, y, z', 'z, -x+2, -y+2', '-y+2, -z+2, x', 'x, -y+3/2, -z+5/2', 'z, x-1/2, y+1/2', '-y+2, z-1/2, -x+5/2', '-x+5/2, y, -z+5/2', '-z+5/2, -x+2, y+1/2', 'y+1/2, -z+2, -x+5/2', '-x+5/2, -y+3/2, z', '-z+5/2, x-1/2, -y+2', 'y+1/2, z-1/2, x'], ['x, y, z', '-z+2, x, -y+2', 'y, -z+2, -x+2', 'x, -y+5/2, -z+3/2', '-z+2, -x+5/2, y-1/2', 'y, z+1/2, x-1/2', '-x+5/2, y, -z+3/2', 'z+1/2, x, y-1/2', '-y+5/2, -z+2, x-1/2', '-x+5/2, -y+5/2, z', 'z+1/2, -x+5/2, -y+2', '-y+5/2, z+1/2, -x+2']], [['x, y, z', 'z, x, y', 'y, z, x', 'x, -y+1/2, -z+1/2', 'z, -x+1/2, -y+1/2', 'y, -z+1/2, -x+1/2', '-x+1/2, y, -z+1/2', '-z+1/2, x, -y+1/2', '-y+1/2, z, -x+1/2', '-x+1/2, -y+1/2, z', '-z+1/2, -x+1/2, y', '-y+1/2, -z+1/2, x'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1', 'x, -y+3/2, -z+3/2', '-z+1, x+1/2, -y+3/2', '-y+1, -z+3/2, x+1/2', '-x+1/2, y, -z+3/2', 'z-1/2, -x+1, -y+3/2', 'y-1/2, z, x+1/2', '-x+1/2, -y+3/2, z', 'z-1/2, x+1/2, y', 'y-1/2, -z+3/2, -x+1'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x', 'x, -y+1/2, -z+3/2', 'z, x-1/2, y+1/2', '-y+1, z-1/2, -x+3/2', '-x+3/2, y, -z+3/2', '-z+3/2, -x+1, y+1/2', 'y+1/2, -z+1, -x+3/2', '-x+3/2, -y+1/2, z', '-z+3/2, x-1/2, -y+1', 'y+1/2, z-1/2, x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', 'x, -y+3/2, -z+1/2', '-z+1, -x+3/2, y-1/2', 'y, z+1/2, x-1/2', '-x+3/2, y, -z+1/2', 'z+1/2, x, y-1/2', '-y+3/2, -z+1, x-1/2', '-x+3/2, -y+3/2, z', 'z+1/2, -x+3/2, -y+1', '-y+3/2, z+1/2, -x+1']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+2', 'x, -y+2, -z+2', 'y-1/2, z, x+1/2', '-y+3/2, z, -x+3/2', 'y-1/2, -z+2, -x+3/2', '-y+3/2, -z+2, x+1/2', 'z-1/2, x+1/2, y', 'z-1/2, -x+3/2, -y+2', '-z+3/2, -x+3/2, y', '-z+3/2, x+1/2, -y+2'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+2', 'x, -y+1, -z+2', 'z, x-1/2, y+1/2', 'z, -x+3/2, -y+3/2', '-z+2, -x+3/2, y+1/2', '-z+2, x-1/2, -y+3/2', 'y+1/2, z-1/2, x', '-y+3/2, z-1/2, -x+2', 'y+1/2, -z+3/2, -x+2', '-y+3/2, -z+3/2, x'], ['x, y, z', '-x+2, -y+2, z', '-x+2, y, -z+1', 'x, -y+2, -z+1', 'y, z+1/2, x-1/2', '-y+2, z+1/2, -x+3/2', 'y, -z+3/2, -x+3/2', '-y+2, -z+3/2, x-1/2', 'z+1/2, x, y-1/2', 'z+1/2, -x+2, -y+3/2', '-z+3/2, -x+2, y-1/2', '-z+3/2, x, -y+3/2']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x'], ['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', 'y-1/2, z, x+1/2', '-y+1/2, z, -x+1/2', 'y-1/2, -z+1, -x+1/2', '-y+1/2, -z+1, x+1/2', 'z-1/2, x+1/2, y', 'z-1/2, -x+1/2, -y+1', '-z+1/2, -x+1/2, y', '-z+1/2, x+1/2, -y+1'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', 'z, x-1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z+1, -x+1/2, y+1/2', '-z+1, x-1/2, -y+1/2', 'y+1/2, z-1/2, x', '-y+1/2, z-1/2, -x+1', 'y+1/2, -z+1/2, -x+1', '-y+1/2, -z+1/2, x'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', 'y, z+1/2, x-1/2', '-y+1, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y+1, -z+1/2, x-1/2', 'z+1/2, x, y-1/2', 'z+1/2, -x+1, -y+1/2', '-z+1/2, -x+1, y-1/2', '-z+1/2, x, -y+1/2']]]\"\n197,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', 'x, -y+2, -z+1'], ['x, y, z', 'x, -y+2, -z+1'], ['x, y, z', '-x+1, y, -z+2'], ['x, y, z', '-x+1, y, -z+2'], ['x, y, z', '-x+2, -y+1, z'], ['x, y, z', '-x+2, -y+1, z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+2', 'x, -y+2, -z+2'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+2', 'x, -y+1, -z+2'], ['x, y, z', '-x+2, -y+2, z', '-x+2, y, -z+1', 'x, -y+2, -z+1']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x']]]\"\n198,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2']]]\"\n199,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x, -y+1/2, z'], ['x, y, z', '-x, -y+3/2, z'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, -z+5/2'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+5/2, y, -z+1'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x+1, -y+5/2, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+2, x-1/2, -y+3/2', 'y+1/2, -z+3/2, -x+2'], ['x, y, z', 'z-1/2, -x+3/2, -y+2', '-y+3/2, -z+2, x+1/2'], ['x, y, z', '-z+3/2, -x+2, y-1/2', '-y+2, z+1/2, -x+3/2']]]\"\n200,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x']], [['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z']], [['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z', '-x+1, -y, -z', 'x, y, -z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z', '-x, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1', '-x, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x, y, z']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', '-x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', '-x+1, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', '-x+1, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x+1, y, z', '-z+1, -x+1, -y+1', '-z+1, x, y', 'z, x, -y+1', 'z, -x+1, y', '-y+1, -z+1, -x+1', 'y, -z+1, x', '-y+1, z, x', 'y, z, -x+1']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', '-z, -x, -y', '-z, x, y', 'z, x, -y', 'z, -x, y', '-y, -z, -x', 'y, -z, x', '-y, z, x', 'y, z, -x']]]\"\n201,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z']], [['x, y, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1/2, x, -y+1/2', 'y, -z+1/2, -x+1/2'], ['x, y, z', 'z, -x+1/2, -y+1/2', '-y+1/2, -z+1/2, x'], ['x, y, z', '-z+1/2, -x+1/2, y', '-y+1/2, z, -x+1/2'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1/2, x, -y+1/2', 'y, -z+1/2, -x+1/2'], ['x, y, z', 'z, -x+1/2, -y+1/2', '-y+1/2, -z+1/2, x'], ['x, y, z', '-z+1/2, -x+1/2, y', '-y+1/2, z, -x+1/2']], [['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z+3/2', 'x, -y+3/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z+3/2', 'x, -y+1/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, z', '-x+3/2, y, -z+1/2', 'x, -y+3/2, -z+1/2'], ['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z+1/2', 'x, -y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z+1/2', 'x, -y+3/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+3/2', 'x, -y+1/2, -z+3/2']], [['x, y, z', 'z, x, y', 'y, z, x', '-x+1, -y+1, -z+1', '-z+1, -x+1, -y+1', '-y+1, -z+1, -x+1'], ['x, y, z', '-z+1/2, x, -y+1/2', 'y, -z+1/2, -x+1/2', '-x, -y, -z+1', 'z-1/2, -x, y+1/2', '-y, z-1/2, x+1/2'], ['x, y, z', 'z, -x+1/2, -y+1/2', '-y+1/2, -z+1/2, x', '-x, -y+1, -z', '-z, x+1/2, y-1/2', 'y-1/2, z+1/2, -x'], ['x, y, z', '-z+1/2, -x+1/2, y', '-y+1/2, z, -x+1/2', '-x+1, -y, -z', 'z+1/2, x-1/2, -y', 'y+1/2, -z, x-1/2']], [['x, y, z', 'z, x, y', 'y, z, x', '-x, -y, -z', '-z, -x, -y', '-y, -z, -x'], ['x, y, z', '-z+1/2, x, -y+1/2', 'y, -z+1/2, -x+1/2', '-x+1, -y+1, -z', 'z+1/2, -x+1, y-1/2', '-y+1, z+1/2, x-1/2'], ['x, y, z', 'z, -x+1/2, -y+1/2', '-y+1/2, -z+1/2, x', '-x+1, -y, -z+1', '-z+1, x-1/2, y+1/2', 'y+1/2, z-1/2, -x+1'], ['x, y, z', '-z+1/2, -x+1/2, y', '-y+1/2, z, -x+1/2', '-x, -y+1, -z+1', 'z-1/2, x+1/2, -y+1', 'y-1/2, -z+1, x+1/2']], [['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x, y', 'z, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y', '-z+1/2, x, -y+1/2', 'y, z, x', '-y+1/2, z, -x+1/2', 'y, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x'], ['x, y, z', '-x+3/2, -y+3/2, z', '-x+3/2, y, -z+3/2', 'x, -y+3/2, -z+3/2', 'z, x, y', 'z, -x+3/2, -y+3/2', '-z+3/2, -x+3/2, y', '-z+3/2, x, -y+3/2', 'y, z, x', '-y+3/2, z, -x+3/2', 'y, -z+3/2, -x+3/2', '-y+3/2, -z+3/2, x']]]\"\n202,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+5/2, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+5/2'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', 'x, -y+5/2, -z+5/2'], ['x, y, z', 'x, -y+3/2, -z+5/2'], ['x, y, z', '-x+3/2, y, -z+5/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, -y+5/2, z'], ['x, y, z', '-x+1/2, -y+5/2, z'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+5/2'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+5/2, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, -z+5/2'], ['x, y, z', 'x, -y+1/2, -z+5/2'], ['x, y, z', '-x+5/2, y, -z+5/2'], ['x, y, z', '-x+5/2, y, -z+3/2'], ['x, y, z', '-x+5/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', 'x, -y+5/2, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+5/2, -y+3/2, z'], ['x, y, z', 'x, -y+5/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', '-x+5/2, y, -z+3/2'], ['x, y, z', '-x+5/2, y, -z+1/2'], ['x, y, z', '-x+5/2, -y+5/2, z'], ['x, y, z', '-x+3/2, -y+5/2, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', 'y-1/2, z, x+1/2', 'z-1/2, x+1/2, y'], ['x, y, z', 'y-1/2, -z+1, -x+1/2', '-z+1/2, x+1/2, -y+1'], ['x, y, z', '-y+1/2, -z+1, x+1/2', 'z-1/2, -x+1/2, -y+1'], ['x, y, z', '-y+1/2, z, -x+1/2', '-z+1/2, -x+1/2, y'], ['x, y, z', 'y-1/2, z, x+1/2', 'z-1/2, x+1/2, y'], ['x, y, z', 'y-1/2, -z+1, -x+1/2', '-z+1/2, x+1/2, -y+1'], ['x, y, z', '-y+1/2, -z+1, x+1/2', 'z-1/2, -x+1/2, -y+1'], ['x, y, z', '-y+1/2, z, -x+1/2', '-z+1/2, -x+1/2, y'], ['x, y, z', 'z, x-1/2, y+1/2', 'y+1/2, z-1/2, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z, -x+1/2, -y+1/2', '-y+1/2, -z+1/2, x'], ['x, y, z', '-z+1, -x+1/2, y+1/2', '-y+1/2, z-1/2, -x+1'], ['x, y, z', 'z, x-1/2, y+1/2', 'y+1/2, z-1/2, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z, -x+1/2, -y+1/2', '-y+1/2, -z+1/2, x'], ['x, y, z', '-z+1, -x+1/2, y+1/2', '-y+1/2, z-1/2, -x+1'], ['x, y, z', 'y, z+1/2, x-1/2', 'z+1/2, x, y-1/2'], ['x, y, z', 'y, -z+1/2, -x+1/2', '-z+1/2, x, -y+1/2'], ['x, y, z', '-y+1, -z+1/2, x-1/2', 'z+1/2, -x+1, -y+1/2'], ['x, y, z', '-y+1, z+1/2, -x+1/2', '-z+1/2, -x+1, y-1/2'], ['x, y, z', 'y, z+1/2, x-1/2', 'z+1/2, x, y-1/2'], ['x, y, z', 'y, -z+1/2, -x+1/2', '-z+1/2, x, -y+1/2'], ['x, y, z', '-y+1, -z+1/2, x-1/2', 'z+1/2, -x+1, -y+1/2'], ['x, y, z', '-y+1, z+1/2, -x+1/2', '-z+1/2, -x+1, y-1/2']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', '-x, y, z', 'x, -y+1/2, -z+1/2', '-x, -y+1/2, -z+1/2'], ['x, y, z', '-x, y, z', 'x, -y+3/2, -z+1/2', '-x, -y+3/2, -z+1/2'], ['x, y, z', 'x, -y, z', '-x+1/2, y, -z+1/2', '-x+1/2, -y, -z+1/2'], ['x, y, z', 'x, -y, z', '-x+1/2, y, -z+3/2', '-x+1/2, -y, -z+3/2'], ['x, y, z', 'x, y, -z', '-x+1/2, -y+1/2, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', 'x, y, -z', '-x+3/2, -y+1/2, z', '-x+3/2, -y+1/2, -z'], ['x, y, z', '-x, y, z', 'x, -y+3/2, -z+3/2', '-x, -y+3/2, -z+3/2'], ['x, y, z', '-x, y, z', 'x, -y+5/2, -z+3/2', '-x, -y+5/2, -z+3/2'], ['x, y, z', 'x, -y+1, z', '-x+1/2, y, -z+3/2', '-x+1/2, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, z', '-x+1/2, y, -z+5/2', '-x+1/2, -y+1, -z+5/2'], ['x, y, z', 'x, y, -z+1', '-x+1/2, -y+3/2, z', '-x+1/2, -y+3/2, -z+1'], ['x, y, z', 'x, y, -z+1', '-x+3/2, -y+3/2, z', '-x+3/2, -y+3/2, -z+1'], ['x, y, z', '-x+1, y, z', 'x, -y+1/2, -z+3/2', '-x+1, -y+1/2, -z+3/2'], ['x, y, z', '-x+1, y, z', 'x, -y+3/2, -z+3/2', '-x+1, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y, z', '-x+3/2, y, -z+3/2', '-x+3/2, -y, -z+3/2'], ['x, y, z', 'x, -y, z', '-x+3/2, y, -z+5/2', '-x+3/2, -y, -z+5/2'], ['x, y, z', 'x, y, -z+1', '-x+3/2, -y+1/2, z', '-x+3/2, -y+1/2, -z+1'], ['x, y, z', 'x, y, -z+1', '-x+5/2, -y+1/2, z', '-x+5/2, -y+1/2, -z+1'], ['x, y, z', '-x+1, y, z', 'x, -y+3/2, -z+1/2', '-x+1, -y+3/2, -z+1/2'], ['x, y, z', '-x+1, y, z', 'x, -y+5/2, -z+1/2', '-x+1, -y+5/2, -z+1/2'], ['x, y, z', 'x, -y+1, z', '-x+3/2, y, -z+1/2', '-x+3/2, -y+1, -z+1/2'], ['x, y, z', 'x, -y+1, z', '-x+3/2, y, -z+3/2', '-x+3/2, -y+1, -z+3/2'], ['x, y, z', 'x, y, -z', '-x+3/2, -y+3/2, z', '-x+3/2, -y+3/2, -z'], ['x, y, z', 'x, y, -z', '-x+5/2, -y+3/2, z', '-x+5/2, -y+3/2, -z']], [['x, y, z', 'z, x, y', 'y, z, x', 'x, -y+1/2, -z+1/2', 'z, -x+1/2, -y+1/2', 'y, -z+1/2, -x+1/2', '-x+1/2, y, -z+1/2', '-z+1/2, x, -y+1/2', '-y+1/2, z, -x+1/2', '-x+1/2, -y+1/2, z', '-z+1/2, -x+1/2, y', '-y+1/2, -z+1/2, x'], ['x, y, z', 'z, x, y', 'y, z, x', 'x, -y+3/2, -z+3/2', 'z, -x+3/2, -y+3/2', 'y, -z+3/2, -x+3/2', '-x+3/2, y, -z+3/2', '-z+3/2, x, -y+3/2', '-y+3/2, z, -x+3/2', '-x+3/2, -y+3/2, z', '-z+3/2, -x+3/2, y', '-y+3/2, -z+3/2, x'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1', 'x, -y+3/2, -z+3/2', '-z+1, x+1/2, -y+3/2', '-y+1, -z+3/2, x+1/2', '-x+1/2, y, -z+3/2', 'z-1/2, -x+1, -y+3/2', 'y-1/2, z, x+1/2', '-x+1/2, -y+3/2, z', 'z-1/2, x+1/2, y', 'y-1/2, -z+3/2, -x+1'], ['x, y, z', '-z+2, -x+2, y', '-y+2, z, -x+2', 'x, -y+5/2, -z+5/2', '-z+2, x+1/2, -y+5/2', '-y+2, -z+5/2, x+1/2', '-x+3/2, y, -z+5/2', 'z-1/2, -x+2, -y+5/2', 'y-1/2, z, x+1/2', '-x+3/2, -y+5/2, z', 'z-1/2, x+1/2, y', 'y-1/2, -z+5/2, -x+2'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x', 'x, -y+1/2, -z+3/2', 'z, x-1/2, y+1/2', '-y+1, z-1/2, -x+3/2', '-x+3/2, y, -z+3/2', '-z+3/2, -x+1, y+1/2', 'y+1/2, -z+1, -x+3/2', '-x+3/2, -y+1/2, z', '-z+3/2, x-1/2, -y+1', 'y+1/2, z-1/2, x'], ['x, y, z', 'z, -x+2, -y+2', '-y+2, -z+2, x', 'x, -y+3/2, -z+5/2', 'z, x-1/2, y+1/2', '-y+2, z-1/2, -x+5/2', '-x+5/2, y, -z+5/2', '-z+5/2, -x+2, y+1/2', 'y+1/2, -z+2, -x+5/2', '-x+5/2, -y+3/2, z', '-z+5/2, x-1/2, -y+2', 'y+1/2, z-1/2, x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', 'x, -y+3/2, -z+1/2', '-z+1, -x+3/2, y-1/2', 'y, z+1/2, x-1/2', '-x+3/2, y, -z+1/2', 'z+1/2, x, y-1/2', '-y+3/2, -z+1, x-1/2', '-x+3/2, -y+3/2, z', 'z+1/2, -x+3/2, -y+1', '-y+3/2, z+1/2, -x+1'], ['x, y, z', '-z+2, x, -y+2', 'y, -z+2, -x+2', 'x, -y+5/2, -z+3/2', '-z+2, -x+5/2, y-1/2', 'y, z+1/2, x-1/2', '-x+5/2, y, -z+3/2', 'z+1/2, x, y-1/2', '-y+5/2, -z+2, x-1/2', '-x+5/2, -y+5/2, z', 'z+1/2, -x+5/2, -y+2', '-y+5/2, z+1/2, -x+2']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x+1, y, z', '-z+1, -x+1, -y+1', '-z+1, x, y', 'z, x, -y+1', 'z, -x+1, y', '-y+1, -z+1, -x+1', 'y, -z+1, x', '-y+1, z, x', 'y, z, -x+1'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+2', 'x, -y+2, -z+2', '-x+1, -y+2, -z+2', 'x, y, -z+2', 'x, -y+2, z', '-x+1, y, z', 'y-1/2, z, x+1/2', '-y+3/2, z, -x+3/2', 'y-1/2, -z+2, -x+3/2', '-y+3/2, -z+2, x+1/2', '-y+3/2, -z+2, -x+3/2', 'y-1/2, -z+2, x+1/2', '-y+3/2, z, x+1/2', 'y-1/2, z, -x+3/2', 'z-1/2, x+1/2, y', 'z-1/2, -x+3/2, -y+2', '-z+3/2, -x+3/2, y', '-z+3/2, x+1/2, -y+2', '-z+3/2, -x+3/2, -y+2', '-z+3/2, x+1/2, y', 'z-1/2, x+1/2, -y+2', 'z-1/2, -x+3/2, y'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+2', 'x, -y+1, -z+2', '-x+2, -y+1, -z+2', 'x, y, -z+2', 'x, -y+1, z', '-x+2, y, z', 'z, x-1/2, y+1/2', 'z, -x+3/2, -y+3/2', '-z+2, -x+3/2, y+1/2', '-z+2, x-1/2, -y+3/2', '-z+2, -x+3/2, -y+3/2', '-z+2, x-1/2, y+1/2', 'z, x-1/2, -y+3/2', 'z, -x+3/2, y+1/2', 'y+1/2, z-1/2, x', '-y+3/2, z-1/2, -x+2', 'y+1/2, -z+3/2, -x+2', '-y+3/2, -z+3/2, x', '-y+3/2, -z+3/2, -x+2', 'y+1/2, -z+3/2, x', '-y+3/2, z-1/2, x', 'y+1/2, z-1/2, -x+2'], ['x, y, z', '-x+2, -y+2, z', '-x+2, y, -z+1', 'x, -y+2, -z+1', '-x+2, -y+2, -z+1', 'x, y, -z+1', 'x, -y+2, z', '-x+2, y, z', 'y, z+1/2, x-1/2', '-y+2, z+1/2, -x+3/2', 'y, -z+3/2, -x+3/2', '-y+2, -z+3/2, x-1/2', '-y+2, -z+3/2, -x+3/2', 'y, -z+3/2, x-1/2', '-y+2, z+1/2, x-1/2', 'y, z+1/2, -x+3/2', 'z+1/2, x, y-1/2', 'z+1/2, -x+2, -y+3/2', '-z+3/2, -x+2, y-1/2', '-z+3/2, x, -y+3/2', '-z+3/2, -x+2, -y+3/2', '-z+3/2, x, y-1/2', 'z+1/2, x, -y+3/2', 'z+1/2, -x+2, y-1/2']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', '-z, -x, -y', '-z, x, y', 'z, x, -y', 'z, -x, y', '-y, -z, -x', 'y, -z, x', '-y, z, x', 'y, z, -x'], ['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', '-x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x, y, z', 'y-1/2, z, x+1/2', '-y+1/2, z, -x+1/2', 'y-1/2, -z+1, -x+1/2', '-y+1/2, -z+1, x+1/2', '-y+1/2, -z+1, -x+1/2', 'y-1/2, -z+1, x+1/2', '-y+1/2, z, x+1/2', 'y-1/2, z, -x+1/2', 'z-1/2, x+1/2, y', 'z-1/2, -x+1/2, -y+1', '-z+1/2, -x+1/2, y', '-z+1/2, x+1/2, -y+1', '-z+1/2, -x+1/2, -y+1', '-z+1/2, x+1/2, y', 'z-1/2, x+1/2, -y+1', 'z-1/2, -x+1/2, y'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', '-x+1, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x+1, y, z', 'z, x-1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z+1, -x+1/2, y+1/2', '-z+1, x-1/2, -y+1/2', '-z+1, -x+1/2, -y+1/2', '-z+1, x-1/2, y+1/2', 'z, x-1/2, -y+1/2', 'z, -x+1/2, y+1/2', 'y+1/2, z-1/2, x', '-y+1/2, z-1/2, -x+1', 'y+1/2, -z+1/2, -x+1', '-y+1/2, -z+1/2, x', '-y+1/2, -z+1/2, -x+1', 'y+1/2, -z+1/2, x', '-y+1/2, z-1/2, x', 'y+1/2, z-1/2, -x+1'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', '-x+1, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x+1, y, z', 'y, z+1/2, x-1/2', '-y+1, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y+1, -z+1/2, x-1/2', '-y+1, -z+1/2, -x+1/2', 'y, -z+1/2, x-1/2', '-y+1, z+1/2, x-1/2', 'y, z+1/2, -x+1/2', 'z+1/2, x, y-1/2', 'z+1/2, -x+1, -y+1/2', '-z+1/2, -x+1, y-1/2', '-z+1/2, x, -y+1/2', '-z+1/2, -x+1, -y+1/2', '-z+1/2, x, y-1/2', 'z+1/2, x, -y+1/2', 'z+1/2, -x+1, y-1/2']]]\"\n203,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/4, -z+1/4'], ['x, y, z', 'x, -y+1/4, -z+1/4'], ['x, y, z', '-x+1/4, y, -z+1/4'], ['x, y, z', '-x+1/4, y, -z+1/4'], ['x, y, z', '-x+1/4, -y+1/4, z'], ['x, y, z', '-x+1/4, -y+1/4, z'], ['x, y, z', 'x, -y+7/4, -z+7/4'], ['x, y, z', 'x, -y+7/4, -z+7/4'], ['x, y, z', '-x+7/4, y, -z+7/4'], ['x, y, z', '-x+7/4, y, -z+7/4'], ['x, y, z', '-x+7/4, -y+7/4, z'], ['x, y, z', '-x+7/4, -y+7/4, z'], ['x, y, z', 'x, -y+5/4, -z+5/4'], ['x, y, z', 'x, -y+5/4, -z+5/4'], ['x, y, z', '-x+1/4, y, -z+5/4'], ['x, y, z', '-x+1/4, y, -z+5/4'], ['x, y, z', '-x+1/4, -y+5/4, z'], ['x, y, z', '-x+1/4, -y+5/4, z'], ['x, y, z', 'x, -y+11/4, -z+11/4'], ['x, y, z', 'x, -y+11/4, -z+11/4'], ['x, y, z', '-x+7/4, y, -z+11/4'], ['x, y, z', '-x+7/4, y, -z+11/4'], ['x, y, z', '-x+7/4, -y+11/4, z'], ['x, y, z', '-x+7/4, -y+11/4, z'], ['x, y, z', 'x, -y+1/4, -z+5/4'], ['x, y, z', 'x, -y+1/4, -z+5/4'], ['x, y, z', '-x+5/4, y, -z+5/4'], ['x, y, z', '-x+5/4, y, -z+5/4'], ['x, y, z', '-x+5/4, -y+1/4, z'], ['x, y, z', '-x+5/4, -y+1/4, z'], ['x, y, z', 'x, -y+7/4, -z+11/4'], ['x, y, z', 'x, -y+7/4, -z+11/4'], ['x, y, z', '-x+11/4, y, -z+11/4'], ['x, y, z', '-x+11/4, y, -z+11/4'], ['x, y, z', '-x+11/4, -y+7/4, z'], ['x, y, z', '-x+11/4, -y+7/4, z'], ['x, y, z', 'x, -y+5/4, -z+1/4'], ['x, y, z', 'x, -y+5/4, -z+1/4'], ['x, y, z', '-x+5/4, y, -z+1/4'], ['x, y, z', '-x+5/4, y, -z+1/4'], ['x, y, z', '-x+5/4, -y+5/4, z'], ['x, y, z', '-x+5/4, -y+5/4, z'], ['x, y, z', 'x, -y+11/4, -z+7/4'], ['x, y, z', 'x, -y+11/4, -z+7/4'], ['x, y, z', '-x+11/4, y, -z+7/4'], ['x, y, z', '-x+11/4, y, -z+7/4'], ['x, y, z', '-x+11/4, -y+11/4, z'], ['x, y, z', '-x+11/4, -y+11/4, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1/4, x, -y+1/4', 'y, -z+1/4, -x+1/4'], ['x, y, z', 'z, -x+1/4, -y+1/4', '-y+1/4, -z+1/4, x'], ['x, y, z', '-z+1/4, -x+1/4, y', '-y+1/4, z, -x+1/4'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'y, -z+3/4, -x+3/4', '-z+3/4, x, -y+3/4'], ['x, y, z', 'z, -x+3/4, -y+3/4', '-y+3/4, -z+3/4, x'], ['x, y, z', '-y+3/4, z, -x+3/4', '-z+3/4, -x+3/4, y'], ['x, y, z', 'y-1/2, z, x+1/2', 'z-1/2, x+1/2, y'], ['x, y, z', 'y-1/2, -z+5/4, -x+3/4', '-z+3/4, x+1/2, -y+5/4'], ['x, y, z', '-y+3/4, -z+5/4, x+1/2', 'z-1/2, -x+3/4, -y+5/4'], ['x, y, z', '-y+3/4, z, -x+3/4', '-z+3/4, -x+3/4, y'], ['x, y, z', 'y-1/2, z, x+1/2', 'z-1/2, x+1/2, y'], ['x, y, z', '-z+5/4, x+1/2, -y+7/4', 'y-1/2, -z+7/4, -x+5/4'], ['x, y, z', '-y+5/4, -z+7/4, x+1/2', 'z-1/2, -x+5/4, -y+7/4'], ['x, y, z', '-z+5/4, -x+5/4, y', '-y+5/4, z, -x+5/4'], ['x, y, z', 'z, x-1/2, y+1/2', 'y+1/2, z-1/2, x'], ['x, y, z', '-z+5/4, x-1/2, -y+3/4', 'y+1/2, -z+3/4, -x+5/4'], ['x, y, z', 'z, -x+3/4, -y+3/4', '-y+3/4, -z+3/4, x'], ['x, y, z', '-z+5/4, -x+3/4, y+1/2', '-y+3/4, z-1/2, -x+5/4'], ['x, y, z', 'z, x-1/2, y+1/2', 'y+1/2, z-1/2, x'], ['x, y, z', 'y+1/2, -z+5/4, -x+7/4', '-z+7/4, x-1/2, -y+5/4'], ['x, y, z', 'z, -x+5/4, -y+5/4', '-y+5/4, -z+5/4, x'], ['x, y, z', '-y+5/4, z-1/2, -x+7/4', '-z+7/4, -x+5/4, y+1/2'], ['x, y, z', 'y, z+1/2, x-1/2', 'z+1/2, x, y-1/2'], ['x, y, z', 'y, -z+3/4, -x+3/4', '-z+3/4, x, -y+3/4'], ['x, y, z', '-y+5/4, -z+3/4, x-1/2', 'z+1/2, -x+5/4, -y+3/4'], ['x, y, z', '-y+5/4, z+1/2, -x+3/4', '-z+3/4, -x+5/4, y-1/2'], ['x, y, z', 'y, z+1/2, x-1/2', 'z+1/2, x, y-1/2'], ['x, y, z', '-z+5/4, x, -y+5/4', 'y, -z+5/4, -x+5/4'], ['x, y, z', '-y+7/4, -z+5/4, x-1/2', 'z+1/2, -x+7/4, -y+5/4'], ['x, y, z', '-z+5/4, -x+7/4, y-1/2', '-y+7/4, z+1/2, -x+5/4']], [['x, y, z', 'z, x, y', 'y, z, x', '-x+1, -y+1, -z+1', '-z+1, -x+1, -y+1', '-y+1, -z+1, -x+1'], ['x, y, z', '-z+5/4, x, -y+5/4', 'y, -z+5/4, -x+5/4', '-x+3/2, -y+3/2, -z+1', 'z+1/4, -x+3/2, y-1/4', '-y+3/2, z+1/4, x-1/4'], ['x, y, z', 'z, -x+5/4, -y+5/4', '-y+5/4, -z+5/4, x', '-x+3/2, -y+1, -z+3/2', '-z+3/2, x-1/4, y+1/4', 'y+1/4, z-1/4, -x+3/2'], ['x, y, z', '-z+5/4, -x+5/4, y', '-y+5/4, z, -x+5/4', '-x+1, -y+3/2, -z+3/2', 'z-1/4, x+1/4, -y+3/2', 'y-1/4, -z+3/2, x+1/4'], ['x, y, z', '-x+1, -y+2, -z+2', 'y-1/2, z, x+1/2', '-y+3/2, -z+2, -x+3/2', 'z-1/2, x+1/2, y', '-z+3/2, -x+3/2, -y+2'], ['x, y, z', 'z-1/4, -x+2, y-1/4', '-y+2, z+1/4, x+1/4', 'y-1/2, -z+9/4, -x+7/4', '-z+7/4, x+1/2, -y+9/4', '-x+3/2, -y+5/2, -z+2'], ['x, y, z', 'y-1/4, z-1/4, -x+2', '-z+2, x+1/4, y+1/4', '-y+7/4, -z+9/4, x+1/2', '-x+3/2, -y+2, -z+5/2', 'z-1/2, -x+7/4, -y+9/4'], ['x, y, z', '-x+1, -y+5/2, -z+5/2', '-y+7/4, z, -x+7/4', 'z-3/4, x+3/4, -y+5/2', '-z+7/4, -x+7/4, y', 'y-3/4, -z+5/2, x+3/4'], ['x, y, z', '-x+2, -y+1, -z+2', 'z, x-1/2, y+1/2', '-z+2, -x+3/2, -y+3/2', 'y+1/2, z-1/2, x', '-y+3/2, -z+3/2, -x+2'], ['x, y, z', '-y+2, z-1/4, x-1/4', '-z+9/4, x-1/2, -y+7/4', 'z+1/4, -x+2, y+1/4', 'y+1/2, -z+7/4, -x+9/4', '-x+5/2, -y+3/2, -z+2'], ['x, y, z', 'z, -x+7/4, -y+7/4', 'y+3/4, z-3/4, -x+5/2', '-x+5/2, -y+1, -z+5/2', '-y+7/4, -z+7/4, x', '-z+5/2, x-3/4, y+3/4'], ['x, y, z', 'z-1/4, x-1/4, -y+2', '-z+9/4, -x+7/4, y+1/2', '-x+2, -y+3/2, -z+5/2', 'y+1/4, -z+2, x+1/4', '-y+7/4, z-1/2, -x+9/4'], ['x, y, z', '-x+2, -y+2, -z+1', 'y, z+1/2, x-1/2', '-y+2, -z+3/2, -x+3/2', 'z+1/2, x, y-1/2', '-z+3/2, -x+2, -y+3/2'], ['x, y, z', 'y, -z+7/4, -x+7/4', 'z+3/4, -x+5/2, y-3/4', '-z+7/4, x, -y+7/4', '-y+5/2, z+3/4, x-3/4', '-x+5/2, -y+5/2, -z+1'], ['x, y, z', '-z+2, x-1/4, y-1/4', '-y+9/4, -z+7/4, x-1/2', 'z+1/2, -x+9/4, -y+7/4', '-x+5/2, -y+2, -z+3/2', 'y+1/4, z+1/4, -x+2'], ['x, y, z', 'y-1/4, -z+2, x-1/4', '-y+9/4, z+1/2, -x+7/4', '-x+2, -y+5/2, -z+3/2', '-z+7/4, -x+9/4, y-1/2', 'z+1/4, x+1/4, -y+2']], [['x, y, z', 'z, x, y', 'y, z, x', '-x, -y, -z', '-z, -x, -y', '-y, -z, -x'], ['x, y, z', '-z+1/4, x, -y+1/4', 'y, -z+1/4, -x+1/4', '-x+1/2, -y+1/2, -z', 'z+1/4, -x+1/2, y-1/4', '-y+1/2, z+1/4, x-1/4'], ['x, y, z', 'z, -x+1/4, -y+1/4', '-y+1/4, -z+1/4, x', '-x+1/2, -y, -z+1/2', '-z+1/2, x-1/4, y+1/4', 'y+1/4, z-1/4, -x+1/2'], ['x, y, z', '-z+1/4, -x+1/4, y', '-y+1/4, z, -x+1/4', '-x, -y+1/2, -z+1/2', 'z-1/4, x+1/4, -y+1/2', 'y-1/4, -z+1/2, x+1/4'], ['x, y, z', '-x, -y+1, -z+1', 'y-1/2, z, x+1/2', '-y+1/2, -z+1, -x+1/2', 'z-1/2, x+1/2, y', '-z+1/2, -x+1/2, -y+1'], ['x, y, z', 'z-1/4, -x+1, y-1/4', '-y+1, z+1/4, x+1/4', 'y-1/2, -z+5/4, -x+3/4', '-z+3/4, x+1/2, -y+5/4', '-x+1/2, -y+3/2, -z+1'], ['x, y, z', 'y-1/4, z-1/4, -x+1', '-z+1, x+1/4, y+1/4', '-y+3/4, -z+5/4, x+1/2', '-x+1/2, -y+1, -z+3/2', 'z-1/2, -x+3/4, -y+5/4'], ['x, y, z', '-x, -y+3/2, -z+3/2', '-y+3/4, z, -x+3/4', 'z-3/4, x+3/4, -y+3/2', '-z+3/4, -x+3/4, y', 'y-3/4, -z+3/2, x+3/4'], ['x, y, z', '-x+1, -y, -z+1', 'z, x-1/2, y+1/2', '-z+1, -x+1/2, -y+1/2', 'y+1/2, z-1/2, x', '-y+1/2, -z+1/2, -x+1'], ['x, y, z', '-y+1, z-1/4, x-1/4', '-z+5/4, x-1/2, -y+3/4', 'z+1/4, -x+1, y+1/4', 'y+1/2, -z+3/4, -x+5/4', '-x+3/2, -y+1/2, -z+1'], ['x, y, z', 'z, -x+3/4, -y+3/4', 'y+3/4, z-3/4, -x+3/2', '-x+3/2, -y, -z+3/2', '-y+3/4, -z+3/4, x', '-z+3/2, x-3/4, y+3/4'], ['x, y, z', 'z-1/4, x-1/4, -y+1', '-z+5/4, -x+3/4, y+1/2', '-x+1, -y+1/2, -z+3/2', 'y+1/4, -z+1, x+1/4', '-y+3/4, z-1/2, -x+5/4'], ['x, y, z', '-x+1, -y+1, -z', 'y, z+1/2, x-1/2', '-y+1, -z+1/2, -x+1/2', 'z+1/2, x, y-1/2', '-z+1/2, -x+1, -y+1/2'], ['x, y, z', 'y, -z+3/4, -x+3/4', 'z+3/4, -x+3/2, y-3/4', '-z+3/4, x, -y+3/4', '-y+3/2, z+3/4, x-3/4', '-x+3/2, -y+3/2, -z'], ['x, y, z', '-z+1, x-1/4, y-1/4', '-y+5/4, -z+3/4, x-1/2', 'z+1/2, -x+5/4, -y+3/4', '-x+3/2, -y+1, -z+1/2', 'y+1/4, z+1/4, -x+1'], ['x, y, z', 'y-1/4, -z+1, x-1/4', '-y+5/4, z+1/2, -x+3/4', '-x+1, -y+3/2, -z+1/2', '-z+3/4, -x+5/4, y-1/2', 'z+1/4, x+1/4, -y+1']], [['x, y, z', '-x+5/4, -y+5/4, z', '-x+5/4, y, -z+5/4', 'x, -y+5/4, -z+5/4', 'z, x, y', 'z, -x+5/4, -y+5/4', '-z+5/4, -x+5/4, y', '-z+5/4, x, -y+5/4', 'y, z, x', '-y+5/4, z, -x+5/4', 'y, -z+5/4, -x+5/4', '-y+5/4, -z+5/4, x'], ['x, y, z', 'z, x, y', 'y, z, x', 'x, -y+3/4, -z+3/4', 'z, -x+3/4, -y+3/4', 'y, -z+3/4, -x+3/4', '-x+3/4, y, -z+3/4', '-z+3/4, x, -y+3/4', '-y+3/4, z, -x+3/4', '-x+3/4, -y+3/4, z', '-z+3/4, -x+3/4, y', '-y+3/4, -z+3/4, x'], ['x, y, z', '-x+5/4, -y+9/4, z', '-x+5/4, y, -z+9/4', 'x, -y+9/4, -z+9/4', 'y-1/2, z, x+1/2', '-y+7/4, z, -x+7/4', 'y-1/2, -z+9/4, -x+7/4', '-y+7/4, -z+9/4, x+1/2', 'z-1/2, x+1/2, y', 'z-1/2, -x+7/4, -y+9/4', '-z+7/4, -x+7/4, y', '-z+7/4, x+1/2, -y+9/4'], ['x, y, z', '-z+5/4, -x+5/4, y', '-y+5/4, z, -x+5/4', 'x, -y+7/4, -z+7/4', '-z+5/4, x+1/2, -y+7/4', '-y+5/4, -z+7/4, x+1/2', '-x+3/4, y, -z+7/4', 'z-1/2, -x+5/4, -y+7/4', 'y-1/2, z, x+1/2', '-x+3/4, -y+7/4, z', 'z-1/2, x+1/2, y', 'y-1/2, -z+7/4, -x+5/4'], ['x, y, z', '-x+9/4, -y+5/4, z', '-x+9/4, y, -z+9/4', 'x, -y+5/4, -z+9/4', 'z, x-1/2, y+1/2', 'z, -x+7/4, -y+7/4', '-z+9/4, -x+7/4, y+1/2', '-z+9/4, x-1/2, -y+7/4', 'y+1/2, z-1/2, x', '-y+7/4, z-1/2, -x+9/4', 'y+1/2, -z+7/4, -x+9/4', '-y+7/4, -z+7/4, x'], ['x, y, z', 'z, -x+5/4, -y+5/4', '-y+5/4, -z+5/4, x', 'x, -y+3/4, -z+7/4', 'z, x-1/2, y+1/2', '-y+5/4, z-1/2, -x+7/4', '-x+7/4, y, -z+7/4', '-z+7/4, -x+5/4, y+1/2', 'y+1/2, -z+5/4, -x+7/4', '-x+7/4, -y+3/4, z', '-z+7/4, x-1/2, -y+5/4', 'y+1/2, z-1/2, x'], ['x, y, z', '-x+9/4, -y+9/4, z', '-x+9/4, y, -z+5/4', 'x, -y+9/4, -z+5/4', 'y, z+1/2, x-1/2', '-y+9/4, z+1/2, -x+7/4', 'y, -z+7/4, -x+7/4', '-y+9/4, -z+7/4, x-1/2', 'z+1/2, x, y-1/2', 'z+1/2, -x+9/4, -y+7/4', '-z+7/4, -x+9/4, y-1/2', '-z+7/4, x, -y+7/4'], ['x, y, z', '-z+5/4, x, -y+5/4', 'y, -z+5/4, -x+5/4', 'x, -y+7/4, -z+3/4', '-z+5/4, -x+7/4, y-1/2', 'y, z+1/2, x-1/2', '-x+7/4, y, -z+3/4', 'z+1/2, x, y-1/2', '-y+7/4, -z+5/4, x-1/2', '-x+7/4, -y+7/4, z', 'z+1/2, -x+7/4, -y+5/4', '-y+7/4, z+1/2, -x+5/4']], [['x, y, z', '-x+1/4, -y+1/4, z', '-x+1/4, y, -z+1/4', 'x, -y+1/4, -z+1/4', 'z, x, y', 'z, -x+1/4, -y+1/4', '-z+1/4, -x+1/4, y', '-z+1/4, x, -y+1/4', 'y, z, x', '-y+1/4, z, -x+1/4', 'y, -z+1/4, -x+1/4', '-y+1/4, -z+1/4, x'], ['x, y, z', 'z, x, y', 'y, z, x', 'x, -y+7/4, -z+7/4', 'z, -x+7/4, -y+7/4', 'y, -z+7/4, -x+7/4', '-x+7/4, y, -z+7/4', '-z+7/4, x, -y+7/4', '-y+7/4, z, -x+7/4', '-x+7/4, -y+7/4, z', '-z+7/4, -x+7/4, y', '-y+7/4, -z+7/4, x'], ['x, y, z', '-x+1/4, -y+5/4, z', '-x+1/4, y, -z+5/4', 'x, -y+5/4, -z+5/4', 'y-1/2, z, x+1/2', '-y+3/4, z, -x+3/4', 'y-1/2, -z+5/4, -x+3/4', '-y+3/4, -z+5/4, x+1/2', 'z-1/2, x+1/2, y', 'z-1/2, -x+3/4, -y+5/4', '-z+3/4, -x+3/4, y', '-z+3/4, x+1/2, -y+5/4'], ['x, y, z', '-z+9/4, -x+9/4, y', '-y+9/4, z, -x+9/4', 'x, -y+11/4, -z+11/4', '-z+9/4, x+1/2, -y+11/4', '-y+9/4, -z+11/4, x+1/2', '-x+7/4, y, -z+11/4', 'z-1/2, -x+9/4, -y+11/4', 'y-1/2, z, x+1/2', '-x+7/4, -y+11/4, z', 'z-1/2, x+1/2, y', 'y-1/2, -z+11/4, -x+9/4'], ['x, y, z', '-x+5/4, -y+1/4, z', '-x+5/4, y, -z+5/4', 'x, -y+1/4, -z+5/4', 'z, x-1/2, y+1/2', 'z, -x+3/4, -y+3/4', '-z+5/4, -x+3/4, y+1/2', '-z+5/4, x-1/2, -y+3/4', 'y+1/2, z-1/2, x', '-y+3/4, z-1/2, -x+5/4', 'y+1/2, -z+3/4, -x+5/4', '-y+3/4, -z+3/4, x'], ['x, y, z', 'z, -x+9/4, -y+9/4', '-y+9/4, -z+9/4, x', 'x, -y+7/4, -z+11/4', 'z, x-1/2, y+1/2', '-y+9/4, z-1/2, -x+11/4', '-x+11/4, y, -z+11/4', '-z+11/4, -x+9/4, y+1/2', 'y+1/2, -z+9/4, -x+11/4', '-x+11/4, -y+7/4, z', '-z+11/4, x-1/2, -y+9/4', 'y+1/2, z-1/2, x'], ['x, y, z', '-x+5/4, -y+5/4, z', '-x+5/4, y, -z+1/4', 'x, -y+5/4, -z+1/4', 'y, z+1/2, x-1/2', '-y+5/4, z+1/2, -x+3/4', 'y, -z+3/4, -x+3/4', '-y+5/4, -z+3/4, x-1/2', 'z+1/2, x, y-1/2', 'z+1/2, -x+5/4, -y+3/4', '-z+3/4, -x+5/4, y-1/2', '-z+3/4, x, -y+3/4'], ['x, y, z', '-z+9/4, x, -y+9/4', 'y, -z+9/4, -x+9/4', 'x, -y+11/4, -z+7/4', '-z+9/4, -x+11/4, y-1/2', 'y, z+1/2, x-1/2', '-x+11/4, y, -z+7/4', 'z+1/2, x, y-1/2', '-y+11/4, -z+9/4, x-1/2', '-x+11/4, -y+11/4, z', 'z+1/2, -x+11/4, -y+9/4', '-y+11/4, z+1/2, -x+9/4']]]\"\n204,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1']], [['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', 'x, -y+1, -z+2', 'x, y, -z+2', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z+2', 'x, y, -z+2', 'x, -y+1, z'], ['x, y, z', '-x+2, y, -z+1', 'x, y, -z+1', '-x+2, y, z'], ['x, y, z', '-x+2, y, -z+1', 'x, y, -z+1', '-x+2, y, z'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', 'z, x, y', 'y, z, x', '-x+1/2, -y+1/2, -z+1/2', '-z+1/2, -x+1/2, -y+1/2', '-y+1/2, -z+1/2, -x+1/2'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', '-x+3/2, -y+3/2, -z+1/2', 'z+1/2, -x+3/2, y-1/2', '-y+3/2, z+1/2, x-1/2'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x', '-x+3/2, -y+1/2, -z+3/2', '-z+3/2, x-1/2, y+1/2', 'y+1/2, z-1/2, -x+3/2'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1', '-x+1/2, -y+3/2, -z+3/2', 'z-1/2, x+1/2, -y+3/2', 'y-1/2, -z+3/2, x+1/2'], ['x, y, z', 'z, x, y', 'y, z, x', '-x+3/2, -y+3/2, -z+3/2', '-z+3/2, -x+3/2, -y+3/2', '-y+3/2, -z+3/2, -x+3/2'], ['x, y, z', '-z+2, x, -y+2', 'y, -z+2, -x+2', '-x+5/2, -y+5/2, -z+3/2', 'z+1/2, -x+5/2, y-1/2', '-y+5/2, z+1/2, x-1/2'], ['x, y, z', 'z, -x+2, -y+2', '-y+2, -z+2, x', '-x+5/2, -y+3/2, -z+5/2', '-z+5/2, x-1/2, y+1/2', 'y+1/2, z-1/2, -x+5/2'], ['x, y, z', '-z+2, -x+2, y', '-y+2, z, -x+2', '-x+3/2, -y+5/2, -z+5/2', 'z-1/2, x+1/2, -y+5/2', 'y-1/2, -z+5/2, x+1/2']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', '-x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', '-x+1, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', '-x+1, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+2', 'x, -y+2, -z+2', '-x+1, -y+2, -z+2', 'x, y, -z+2', 'x, -y+2, z', '-x+1, y, z'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+2', 'x, -y+1, -z+2', '-x+2, -y+1, -z+2', 'x, y, -z+2', 'x, -y+1, z', '-x+2, y, z'], ['x, y, z', '-x+2, -y+2, z', '-x+2, y, -z+1', 'x, -y+2, -z+1', '-x+2, -y+2, -z+1', 'x, y, -z+1', 'x, -y+2, z', '-x+2, y, z']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', '-z, -x, -y', '-z, x, y', 'z, x, -y', 'z, -x, y', '-y, -z, -x', 'y, -z, x', '-y, z, x', 'y, z, -x'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x+1, y, z', '-z+1, -x+1, -y+1', '-z+1, x, y', 'z, x, -y+1', 'z, -x+1, y', '-y+1, -z+1, -x+1', 'y, -z+1, x', '-y+1, z, x', 'y, z, -x+1']]]\"\n205,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2']], [['x, y, z', 'z, x, y', 'y, z, x', '-x+1, -y+1, -z+1', '-z+1, -x+1, -y+1', '-y+1, -z+1, -x+1'], ['x, y, z', '-z, x+1/2, -y+1/2', 'y-1/2, -z+1/2, -x', '-x, -y+1, -z', 'z, -x+1/2, y-1/2', '-y+1/2, z+1/2, x'], ['x, y, z', 'z+1/2, -x+1/2, -y', '-y+1/2, -z, x-1/2', '-x+1, -y, -z', '-z+1/2, x-1/2, y', 'y+1/2, z, -x+1/2'], ['x, y, z', '-z+1/2, -x, y+1/2', '-y, z-1/2, -x+1/2', '-x, -y, -z+1', 'z-1/2, x, -y+1/2', 'y, -z+1/2, x+1/2']], [['x, y, z', 'z, x, y', 'y, z, x', '-x, -y, -z', '-z, -x, -y', '-y, -z, -x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1', '-x+1, -y, -z+1', 'z, -x+1/2, y+1/2', '-y+1/2, z-1/2, x'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2', '-x, -y+1, -z+1', '-z+1/2, x+1/2, y', 'y-1/2, z, -x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2', '-x+1, -y+1, -z', 'z+1/2, x, -y+1/2', 'y, -z+1/2, x-1/2']]]\"\n206,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x, -y+1/2, z'], ['x, y, z', '-x, -y+3/2, z'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x, -y+3/2, z'], ['x, y, z', '-x, -y+1/2, z'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, -z+5/2'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+5/2, y, -z+1'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x+1, -y+5/2, z'], ['x, y, z', 'x, -y+1, -z+5/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', '-x+5/2, y, -z+1'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+1, -y+5/2, z'], ['x, y, z', '-x+1, -y+3/2, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+2, x-1/2, -y+3/2', 'y+1/2, -z+3/2, -x+2'], ['x, y, z', 'z-1/2, -x+3/2, -y+2', '-y+3/2, -z+2, x+1/2'], ['x, y, z', '-z+3/2, -x+2, y-1/2', '-y+2, z+1/2, -x+3/2'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+2, x-1/2, -y+3/2', 'y+1/2, -z+3/2, -x+2'], ['x, y, z', 'z-1/2, -x+3/2, -y+2', '-y+3/2, -z+2, x+1/2'], ['x, y, z', '-z+3/2, -x+2, y-1/2', '-y+2, z+1/2, -x+3/2']], [['x, y, z', 'z, x, y', 'y, z, x', '-x+1/2, -y+1/2, -z+1/2', '-z+1/2, -x+1/2, -y+1/2', '-y+1/2, -z+1/2, -x+1/2'], ['x, y, z', '-z+1, x+1/2, -y+3/2', 'y-1/2, -z+3/2, -x+1', '-x+1/2, -y+3/2, -z+3/2', 'z-1/2, -x+1, y', '-y+1, z, x+1/2'], ['x, y, z', 'z+1/2, -x+3/2, -y+1', '-y+3/2, -z+1, x-1/2', '-x+3/2, -y+3/2, -z+1/2', '-z+1, x, y-1/2', 'y, z+1/2, -x+1'], ['x, y, z', '-z+3/2, -x+1, y+1/2', '-y+1, z-1/2, -x+3/2', '-x+3/2, -y+1/2, -z+3/2', 'z, x-1/2, -y+1', 'y+1/2, -z+1, x'], ['x, y, z', 'z, x, y', 'y, z, x', '-x+3/2, -y+3/2, -z+3/2', '-z+3/2, -x+3/2, -y+3/2', '-y+3/2, -z+3/2, -x+3/2'], ['x, y, z', '-z+2, x+1/2, -y+5/2', 'y-1/2, -z+5/2, -x+2', '-x+3/2, -y+5/2, -z+5/2', 'z-1/2, -x+2, y', '-y+2, z, x+1/2'], ['x, y, z', 'z+1/2, -x+5/2, -y+2', '-y+5/2, -z+2, x-1/2', '-x+5/2, -y+5/2, -z+3/2', '-z+2, x, y-1/2', 'y, z+1/2, -x+2'], ['x, y, z', '-z+5/2, -x+2, y+1/2', '-y+2, z-1/2, -x+5/2', '-x+5/2, -y+3/2, -z+5/2', 'z, x-1/2, -y+2', 'y+1/2, -z+2, x']], [['x, y, z', 'z, x, y', 'y, z, x', '-x, -y, -z', '-z, -x, -y', '-y, -z, -x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1', '-x+1, -y, -z+1', 'z, -x+1/2, y+1/2', '-y+1/2, z-1/2, x'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2', '-x, -y+1, -z+1', '-z+1/2, x+1/2, y', 'y-1/2, z, -x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2', '-x+1, -y+1, -z', 'z+1/2, x, -y+1/2', 'y, -z+1/2, x-1/2'], ['x, y, z', 'z, x, y', 'y, z, x', '-x+1, -y+1, -z+1', '-z+1, -x+1, -y+1', '-y+1, -z+1, -x+1'], ['x, y, z', '-z+2, x-1/2, -y+3/2', 'y+1/2, -z+3/2, -x+2', '-x+2, -y+1, -z+2', 'z, -x+3/2, y+1/2', '-y+3/2, z-1/2, x'], ['x, y, z', 'z-1/2, -x+3/2, -y+2', '-y+3/2, -z+2, x+1/2', '-x+1, -y+2, -z+2', '-z+3/2, x+1/2, y', 'y-1/2, z, -x+3/2'], ['x, y, z', '-z+3/2, -x+2, y-1/2', '-y+2, z+1/2, -x+3/2', '-x+2, -y+2, -z+1', 'z+1/2, x, -y+3/2', 'y, -z+3/2, x-1/2']]]\"\n207,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1, z, y'], ['x, y, z', '-x+1, -z, -y'], ['x, y, z', '-x+1, -z, -y'], ['x, y, z', '-x+1, z, y'], ['x, y, z', 'z, -y+1, x'], ['x, y, z', '-z, -y+1, -x'], ['x, y, z', '-z, -y+1, -x'], ['x, y, z', 'z, -y+1, x'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-y, -x, -z+1'], ['x, y, z', 'y, x, -z+1']], [['x, y, z', '-x, z, y'], ['x, y, z', '-x, -z, -y'], ['x, y, z', '-x, -z, -y'], ['x, y, z', '-x, z, y'], ['x, y, z', 'z, -y, x'], ['x, y, z', '-z, -y, -x'], ['x, y, z', '-z, -y, -x'], ['x, y, z', 'z, -y, x'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', 'y, x, -z']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x']], [['x, y, z', 'x, -y+1, -z+1', 'x, z, -y+1', 'x, -z+1, y'], ['x, y, z', 'x, -y+1, -z+1', 'x, z, -y+1', 'x, -z+1, y'], ['x, y, z', '-x+1, y, -z+1', 'z, y, -x+1', '-z+1, y, x'], ['x, y, z', '-x+1, y, -z+1', 'z, y, -x+1', '-z+1, y, x'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, z', '-y+1, x, z'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, z', '-y+1, x, z']], [['x, y, z', 'x, -y, -z', 'x, z, -y', 'x, -z, y'], ['x, y, z', 'x, -y, -z', 'x, z, -y', 'x, -z, y'], ['x, y, z', '-x, y, -z', 'z, y, -x', '-z, y, x'], ['x, y, z', '-x, y, -z', 'z, y, -x', '-z, y, x'], ['x, y, z', '-x, -y, z', 'y, -x, z', '-y, x, z'], ['x, y, z', '-x, -y, z', 'y, -x, z', '-y, x, z']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z', 'x, z, -y', '-x+1, z, y', '-x+1, -z, -y', 'x, -z, y'], ['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z', 'z, y, -x', 'z, -y+1, x', '-z, y, x', '-z, -y+1, -x'], ['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1', 'y, x, -z+1', '-y, -x, -z+1', 'y, -x, z', '-y, x, z']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', 'x, z, -y+1', '-x, z, y', '-x, -z+1, -y+1', 'x, -z+1, y'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', 'z, y, -x+1', 'z, -y, x', '-z+1, y, x', '-z+1, -y, -x+1'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', 'y, x, -z', '-y+1, -x+1, -z', 'y, -x+1, z', '-y+1, x, z']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x', 'y, x, -z+1', '-y+1, -x+1, -z+1', 'y, -x+1, z', '-y+1, x, z', 'x, z, -y+1', '-x+1, z, y', '-x+1, -z+1, -y+1', 'x, -z+1, y', 'z, y, -x+1', 'z, -y+1, x', '-z+1, y, x', '-z+1, -y+1, -x+1']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z', 'x, z, -y', '-x, z, y', '-x, -z, -y', 'x, -z, y', 'z, y, -x', 'z, -y, x', '-z, y, x', '-z, -y, -x']]]\"\n208,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, z-1/2, y+1/2'], ['x, y, z', '-x+3/2, -z+1/2, -y+1/2'], ['x, y, z', '-x+3/2, -z+1/2, -y+1/2'], ['x, y, z', '-x+1/2, z-1/2, y+1/2'], ['x, y, z', 'z+1/2, -y+1/2, x-1/2'], ['x, y, z', '-z+1/2, -y+3/2, -x+1/2'], ['x, y, z', '-z+1/2, -y+3/2, -x+1/2'], ['x, y, z', 'z+1/2, -y+1/2, x-1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+1/2']], [['x, y, z', '-x+1/2, -z+1/2, -y+1/2'], ['x, y, z', '-x+3/2, z-1/2, y+1/2'], ['x, y, z', '-x+3/2, z-1/2, y+1/2'], ['x, y, z', '-x+1/2, -z+1/2, -y+1/2'], ['x, y, z', '-z+1/2, -y+1/2, -x+1/2'], ['x, y, z', 'z+1/2, -y+3/2, x-1/2'], ['x, y, z', 'z+1/2, -y+3/2, x-1/2'], ['x, y, z', '-z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1']], [['x, y, z', 'x, -y+1, -z', '-x+1/2, z+1/2, y-1/2', '-x+1/2, -z+1/2, -y+1/2'], ['x, y, z', 'x, -y+1, -z', '-x+3/2, z+1/2, y-1/2', '-x+3/2, -z+1/2, -y+1/2'], ['x, y, z', '-x, y, -z+1', 'z-1/2, -y+1/2, x+1/2', '-z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-x, y, -z+1', 'z-1/2, -y+3/2, x+1/2', '-z+1/2, -y+3/2, -x+1/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z+3/2', '-y+1/2, -x+1/2, -z+3/2']], [['x, y, z', 'x, -y, -z+1', '-x+1/2, z-1/2, y+1/2', '-x+1/2, -z+1/2, -y+1/2'], ['x, y, z', 'x, -y, -z+1', '-x+3/2, z-1/2, y+1/2', '-x+3/2, -z+1/2, -y+1/2'], ['x, y, z', '-x+1, y, -z', 'z+1/2, -y+1/2, x-1/2', '-z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-x+1, y, -z', 'z+1/2, -y+3/2, x-1/2', '-z+1/2, -y+3/2, -x+1/2'], ['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z+3/2', '-y+1/2, -x+1/2, -z+3/2']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z'], ['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1']], [['x, y, z', 'z, x, y', 'y, z, x', '-y+3/2, -x+3/2, -z+3/2', '-x+3/2, -z+3/2, -y+3/2', '-z+3/2, -y+3/2, -x+3/2'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', '-y+1/2, -x+1/2, -z+3/2', '-x+1/2, z-1/2, y+1/2', 'z-1/2, -y+1/2, x+1/2'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x', 'y-1/2, x+1/2, -z+1/2', '-x+1/2, z+1/2, y-1/2', '-z+1/2, -y+3/2, -x+1/2'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1', 'y+1/2, x-1/2, -z+1/2', '-x+3/2, -z+1/2, -y+1/2', 'z+1/2, -y+1/2, x-1/2']], [['x, y, z', 'z, x, y', 'y, z, x', '-y+1/2, -x+1/2, -z+1/2', '-x+1/2, -z+1/2, -y+1/2', '-z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', '-y+3/2, -x+3/2, -z+1/2', '-x+3/2, z+1/2, y-1/2', 'z+1/2, -y+3/2, x-1/2'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x', 'y+1/2, x-1/2, -z+3/2', '-x+3/2, z-1/2, y+1/2', '-z+3/2, -y+1/2, -x+3/2'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1', 'y-1/2, x+1/2, -z+3/2', '-x+1/2, -z+3/2, -y+3/2', 'z-1/2, -y+3/2, x+1/2']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x']]]\"\n209,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+5/2, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+5/2'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+1/2, y, -z+5/2'], ['x, y, z', '-x+3/2, y, -z+5/2'], ['x, y, z', 'x, -y+3/2, -z+5/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+5/2, z'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+5/2'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+5/2, -y+1/2, z'], ['x, y, z', '-x+3/2, y, -z+5/2'], ['x, y, z', '-x+5/2, y, -z+5/2'], ['x, y, z', 'x, -y+1/2, -z+5/2'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', 'x, -y+5/2, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+5/2, -y+3/2, z'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+5/2, y, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+5/2, z']], [['x, y, z', '-x+1, z, y'], ['x, y, z', '-x+1, -z, -y'], ['x, y, z', '-x+1, -z, -y'], ['x, y, z', '-x+1, z, y'], ['x, y, z', 'z, -y+1, x'], ['x, y, z', '-z, -y+1, -x'], ['x, y, z', '-z, -y+1, -x'], ['x, y, z', 'z, -y+1, x'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y, -x, -z+1'], ['x, y, z', '-y, -x, -z+1'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-x+1, z, y'], ['x, y, z', '-x+1, -z+1, -y+1'], ['x, y, z', '-x+1, -z+1, -y+1'], ['x, y, z', '-x+1, z, y'], ['x, y, z', 'z-1/2, -y+2, x+1/2'], ['x, y, z', '-z+1/2, -y+2, -x+1/2'], ['x, y, z', '-z+1/2, -y+2, -x+1/2'], ['x, y, z', 'z-1/2, -y+2, x+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+2'], ['x, y, z', '-y+1/2, -x+1/2, -z+2'], ['x, y, z', '-y+1/2, -x+1/2, -z+2'], ['x, y, z', 'y-1/2, x+1/2, -z+2'], ['x, y, z', '-x+2, z-1/2, y+1/2'], ['x, y, z', '-x+2, -z+1/2, -y+1/2'], ['x, y, z', '-x+2, -z+1/2, -y+1/2'], ['x, y, z', '-x+2, z-1/2, y+1/2'], ['x, y, z', 'z, -y+1, x'], ['x, y, z', '-z+1, -y+1, -x+1'], ['x, y, z', '-z+1, -y+1, -x+1'], ['x, y, z', 'z, -y+1, x'], ['x, y, z', 'y+1/2, x-1/2, -z+2'], ['x, y, z', '-y+1/2, -x+1/2, -z+2'], ['x, y, z', '-y+1/2, -x+1/2, -z+2'], ['x, y, z', 'y+1/2, x-1/2, -z+2'], ['x, y, z', '-x+2, z+1/2, y-1/2'], ['x, y, z', '-x+2, -z+1/2, -y+1/2'], ['x, y, z', '-x+2, -z+1/2, -y+1/2'], ['x, y, z', '-x+2, z+1/2, y-1/2'], ['x, y, z', 'z+1/2, -y+2, x-1/2'], ['x, y, z', '-z+1/2, -y+2, -x+1/2'], ['x, y, z', '-z+1/2, -y+2, -x+1/2'], ['x, y, z', 'z+1/2, -y+2, x-1/2'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y+1, -x+1, -z+1'], ['x, y, z', '-y+1, -x+1, -z+1'], ['x, y, z', 'y, x, -z+1']], [['x, y, z', '-x, z, y'], ['x, y, z', '-x, -z, -y'], ['x, y, z', '-x, -z, -y'], ['x, y, z', '-x, z, y'], ['x, y, z', 'z, -y, x'], ['x, y, z', '-z, -y, -x'], ['x, y, z', '-z, -y, -x'], ['x, y, z', 'z, -y, x'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-x, z, y'], ['x, y, z', '-x, -z+1, -y+1'], ['x, y, z', '-x, -z+1, -y+1'], ['x, y, z', '-x, z, y'], ['x, y, z', 'z-1/2, -y+1, x+1/2'], ['x, y, z', '-z+1/2, -y+1, -x+1/2'], ['x, y, z', '-z+1/2, -y+1, -x+1/2'], ['x, y, z', 'z-1/2, -y+1, x+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+1'], ['x, y, z', '-y+1/2, -x+1/2, -z+1'], ['x, y, z', '-y+1/2, -x+1/2, -z+1'], ['x, y, z', 'y-1/2, x+1/2, -z+1'], ['x, y, z', '-x+1, z-1/2, y+1/2'], ['x, y, z', '-x+1, -z+1/2, -y+1/2'], ['x, y, z', '-x+1, -z+1/2, -y+1/2'], ['x, y, z', '-x+1, z-1/2, y+1/2'], ['x, y, z', 'z, -y, x'], ['x, y, z', '-z+1, -y, -x+1'], ['x, y, z', '-z+1, -y, -x+1'], ['x, y, z', 'z, -y, x'], ['x, y, z', 'y+1/2, x-1/2, -z+1'], ['x, y, z', '-y+1/2, -x+1/2, -z+1'], ['x, y, z', '-y+1/2, -x+1/2, -z+1'], ['x, y, z', 'y+1/2, x-1/2, -z+1'], ['x, y, z', '-x+1, z+1/2, y-1/2'], ['x, y, z', '-x+1, -z+1/2, -y+1/2'], ['x, y, z', '-x+1, -z+1/2, -y+1/2'], ['x, y, z', '-x+1, z+1/2, y-1/2'], ['x, y, z', 'z+1/2, -y+1, x-1/2'], ['x, y, z', '-z+1/2, -y+1, -x+1/2'], ['x, y, z', '-z+1/2, -y+1, -x+1/2'], ['x, y, z', 'z+1/2, -y+1, x-1/2'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y+1, -x+1, -z'], ['x, y, z', '-y+1, -x+1, -z'], ['x, y, z', 'y, x, -z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', 'y-1/2, z, x+1/2', 'z-1/2, x+1/2, y'], ['x, y, z', 'y-1/2, -z+1, -x+1/2', '-z+1/2, x+1/2, -y+1'], ['x, y, z', '-y+1/2, -z+1, x+1/2', 'z-1/2, -x+1/2, -y+1'], ['x, y, z', '-y+1/2, z, -x+1/2', '-z+1/2, -x+1/2, y'], ['x, y, z', 'y-1/2, -z+1, -x+1/2', '-z+1/2, x+1/2, -y+1'], ['x, y, z', 'y-1/2, z, x+1/2', 'z-1/2, x+1/2, y'], ['x, y, z', '-y+1/2, -z+1, x+1/2', 'z-1/2, -x+1/2, -y+1'], ['x, y, z', '-y+1/2, z, -x+1/2', '-z+1/2, -x+1/2, y'], ['x, y, z', 'z, x-1/2, y+1/2', 'y+1/2, z-1/2, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z, -x+1/2, -y+1/2', '-y+1/2, -z+1/2, x'], ['x, y, z', '-z+1, -x+1/2, y+1/2', '-y+1/2, z-1/2, -x+1'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z, x-1/2, y+1/2', 'y+1/2, z-1/2, x'], ['x, y, z', 'z, -x+1/2, -y+1/2', '-y+1/2, -z+1/2, x'], ['x, y, z', '-z+1, -x+1/2, y+1/2', '-y+1/2, z-1/2, -x+1'], ['x, y, z', 'y, z+1/2, x-1/2', 'z+1/2, x, y-1/2'], ['x, y, z', 'y, -z+1/2, -x+1/2', '-z+1/2, x, -y+1/2'], ['x, y, z', '-y+1, -z+1/2, x-1/2', 'z+1/2, -x+1, -y+1/2'], ['x, y, z', '-y+1, z+1/2, -x+1/2', '-z+1/2, -x+1, y-1/2'], ['x, y, z', 'y, -z+1/2, -x+1/2', '-z+1/2, x, -y+1/2'], ['x, y, z', 'y, z+1/2, x-1/2', 'z+1/2, x, y-1/2'], ['x, y, z', '-y+1, -z+1/2, x-1/2', 'z+1/2, -x+1, -y+1/2'], ['x, y, z', '-y+1, z+1/2, -x+1/2', '-z+1/2, -x+1, y-1/2']], [['x, y, z', 'x, -y, -z', 'x, z, -y', 'x, -z, y'], ['x, y, z', 'x, -y, -z', 'x, z, -y', 'x, -z, y'], ['x, y, z', '-x, y, -z', 'z, y, -x', '-z, y, x'], ['x, y, z', '-x, y, -z', 'z, y, -x', '-z, y, x'], ['x, y, z', '-x, -y, z', 'y, -x, z', '-y, x, z'], ['x, y, z', '-x, -y, z', 'y, -x, z', '-y, x, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, z, -y+1', 'x, -z+1, y'], ['x, y, z', 'x, -y+1, -z+1', 'x, z, -y+1', 'x, -z+1, y'], ['x, y, z', '-x, y, -z+1', 'z-1/2, y, -x+1/2', '-z+1/2, y, x+1/2'], ['x, y, z', '-x, y, -z+1', 'z-1/2, y, -x+1/2', '-z+1/2, y, x+1/2'], ['x, y, z', '-x, -y+1, z', 'y-1/2, -x+1/2, z', '-y+1/2, x+1/2, z'], ['x, y, z', '-x, -y+1, z', 'y-1/2, -x+1/2, z', '-y+1/2, x+1/2, z'], ['x, y, z', 'x, -y, -z+1', 'x, z-1/2, -y+1/2', 'x, -z+1/2, y+1/2'], ['x, y, z', 'x, -y, -z+1', 'x, z-1/2, -y+1/2', 'x, -z+1/2, y+1/2'], ['x, y, z', '-x+1, y, -z+1', 'z, y, -x+1', '-z+1, y, x'], ['x, y, z', '-x+1, y, -z+1', 'z, y, -x+1', '-z+1, y, x'], ['x, y, z', '-x+1, -y, z', 'y+1/2, -x+1/2, z', '-y+1/2, x-1/2, z'], ['x, y, z', '-x+1, -y, z', 'y+1/2, -x+1/2, z', '-y+1/2, x-1/2, z'], ['x, y, z', 'x, -y+1, -z', 'x, z+1/2, -y+1/2', 'x, -z+1/2, y-1/2'], ['x, y, z', 'x, -y+1, -z', 'x, z+1/2, -y+1/2', 'x, -z+1/2, y-1/2'], ['x, y, z', '-x+1, y, -z', 'z+1/2, y, -x+1/2', '-z+1/2, y, x-1/2'], ['x, y, z', '-x+1, y, -z', 'z+1/2, y, -x+1/2', '-z+1/2, y, x-1/2'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, z', '-y+1, x, z'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, z', '-y+1, x, z']], [['x, y, z', '-x, z, y', 'x, -y+1/2, -z+1/2', '-x, -z+1/2, -y+1/2'], ['x, y, z', '-x, -z+1, -y+1', 'x, -y+3/2, -z+1/2', '-x, z+1/2, y-1/2'], ['x, y, z', 'z, -y, x', '-x+1/2, y, -z+1/2', '-z+1/2, -y, -x+1/2'], ['x, y, z', '-z+1, -y, -x+1', '-x+1/2, y, -z+3/2', 'z-1/2, -y, x+1/2'], ['x, y, z', 'y, x, -z', '-x+1/2, -y+1/2, z', '-y+1/2, -x+1/2, -z'], ['x, y, z', '-y+1, -x+1, -z', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, -z'], ['x, y, z', '-x, z, y', 'x, -y+3/2, -z+3/2', '-x, -z+3/2, -y+3/2'], ['x, y, z', '-x, -z+2, -y+2', 'x, -y+5/2, -z+3/2', '-x, z+1/2, y-1/2'], ['x, y, z', '-z+1, -y+1, -x+1', '-x+1/2, y, -z+3/2', 'z-1/2, -y+1, x+1/2'], ['x, y, z', 'z-1, -y+1, x+1', '-x+1/2, y, -z+5/2', '-z+3/2, -y+1, -x+3/2'], ['x, y, z', '-y+1, -x+1, -z+1', '-x+1/2, -y+3/2, z', 'y-1/2, x+1/2, -z+1'], ['x, y, z', 'y, x, -z+1', '-x+3/2, -y+3/2, z', '-y+3/2, -x+3/2, -z+1'], ['x, y, z', '-x+1, -z+1, -y+1', 'x, -y+1/2, -z+3/2', '-x+1, z-1/2, y+1/2'], ['x, y, z', '-x+1, z, y', 'x, -y+3/2, -z+3/2', '-x+1, -z+3/2, -y+3/2'], ['x, y, z', 'z, -y, x', '-x+3/2, y, -z+3/2', '-z+3/2, -y, -x+3/2'], ['x, y, z', '-z+2, -y, -x+2', '-x+3/2, y, -z+5/2', 'z-1/2, -y, x+1/2'], ['x, y, z', '-y+1, -x+1, -z+1', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, -z+1'], ['x, y, z', 'y+1, x-1, -z+1', '-x+5/2, -y+1/2, z', '-y+3/2, -x+3/2, -z+1'], ['x, y, z', '-x+1, -z+1, -y+1', 'x, -y+3/2, -z+1/2', '-x+1, z+1/2, y-1/2'], ['x, y, z', '-x+1, z+1, y-1', 'x, -y+5/2, -z+1/2', '-x+1, -z+3/2, -y+3/2'], ['x, y, z', '-z+1, -y+1, -x+1', '-x+3/2, y, -z+1/2', 'z+1/2, -y+1, x-1/2'], ['x, y, z', 'z, -y+1, x', '-x+3/2, y, -z+3/2', '-z+3/2, -y+1, -x+3/2'], ['x, y, z', 'y, x, -z', '-x+3/2, -y+3/2, z', '-y+3/2, -x+3/2, -z'], ['x, y, z', '-y+2, -x+2, -z', '-x+5/2, -y+3/2, z', 'y+1/2, x-1/2, -z']], [['x, y, z', 'z, x, y', 'y, z, x', 'x, -y+1/2, -z+1/2', 'z, -x+1/2, -y+1/2', 'y, -z+1/2, -x+1/2', '-x+1/2, y, -z+1/2', '-z+1/2, x, -y+1/2', '-y+1/2, z, -x+1/2', '-x+1/2, -y+1/2, z', '-z+1/2, -x+1/2, y', '-y+1/2, -z+1/2, x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', 'x, -y+1/2, -z+3/2', '-z+1, -x+1/2, y+1/2', 'y, z-1/2, x+1/2', '-x+1/2, y, -z+3/2', 'z-1/2, x, y+1/2', '-y+1/2, -z+1, x+1/2', '-x+1/2, -y+1/2, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, z-1/2, -x+1'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1', 'x, -y+3/2, -z+3/2', '-z+1, x+1/2, -y+3/2', '-y+1, -z+3/2, x+1/2', '-x+1/2, y, -z+3/2', 'z-1/2, -x+1, -y+3/2', 'y-1/2, z, x+1/2', '-x+1/2, -y+3/2, z', 'z-1/2, x+1/2, y', 'y-1/2, -z+3/2, -x+1'], ['x, y, z', 'z-1, -x+1, -y+2', '-y+1, -z+2, x+1', 'x, -y+3/2, -z+5/2', 'z-1, x+1/2, y+1/2', '-y+1, z-1/2, -x+3/2', '-x+1/2, y, -z+5/2', '-z+3/2, -x+1, y+1/2', 'y-1/2, -z+2, -x+3/2', '-x+1/2, -y+3/2, z', '-z+3/2, x+1/2, -y+2', 'y-1/2, z-1/2, x+1'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x', 'x, -y+1/2, -z+3/2', 'z, x-1/2, y+1/2', '-y+1, z-1/2, -x+3/2', '-x+3/2, y, -z+3/2', '-z+3/2, -x+1, y+1/2', 'y+1/2, -z+1, -x+3/2', '-x+3/2, -y+1/2, z', '-z+3/2, x-1/2, -y+1', 'y+1/2, z-1/2, x'], ['x, y, z', '-z+2, -x+1, y+1', '-y+1, z-1, -x+2', 'x, -y+1/2, -z+5/2', '-z+2, x-1/2, -y+3/2', '-y+1, -z+3/2, x+1/2', '-x+3/2, y, -z+5/2', 'z-1/2, -x+1, -y+3/2', 'y+1/2, z-1, x+1/2', '-x+3/2, -y+1/2, z', 'z-1/2, x-1/2, y+1', 'y+1/2, -z+3/2, -x+2'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', 'x, -y+3/2, -z+1/2', '-z+1, -x+3/2, y-1/2', 'y, z+1/2, x-1/2', '-x+3/2, y, -z+1/2', 'z+1/2, x, y-1/2', '-y+3/2, -z+1, x-1/2', '-x+3/2, -y+3/2, z', 'z+1/2, -x+3/2, -y+1', '-y+3/2, z+1/2, -x+1'], ['x, y, z', 'z, x, y', 'y, z, x', 'x, -y+3/2, -z+3/2', 'z, -x+3/2, -y+3/2', 'y, -z+3/2, -x+3/2', '-x+3/2, y, -z+3/2', '-z+3/2, x, -y+3/2', '-y+3/2, z, -x+3/2', '-x+3/2, -y+3/2, z', '-z+3/2, -x+3/2, y', '-y+3/2, -z+3/2, x']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x', 'y, x, -z+1', '-y+1, -x+1, -z+1', 'y, -x+1, z', '-y+1, x, z', 'x, z, -y+1', '-x+1, z, y', '-x+1, -z+1, -y+1', 'x, -z+1, y', 'z, y, -x+1', 'z, -y+1, x', '-z+1, y, x', '-z+1, -y+1, -x+1'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+2', 'x, -y+2, -z+2', 'x, z, -y+2', '-x+1, z, y', '-x+1, -z+2, -y+2', 'x, -z+2, y', 'y-1/2, z, x+1/2', '-y+3/2, z, -x+3/2', 'y-1/2, -z+2, -x+3/2', '-y+3/2, -z+2, x+1/2', 'z-1/2, y, -x+3/2', 'z-1/2, -y+2, x+1/2', '-z+3/2, y, x+1/2', '-z+3/2, -y+2, -x+3/2', 'z-1/2, x+1/2, y', 'z-1/2, -x+3/2, -y+2', '-z+3/2, -x+3/2, y', '-z+3/2, x+1/2, -y+2', 'y-1/2, x+1/2, -z+2', '-y+3/2, -x+3/2, -z+2', 'y-1/2, -x+3/2, z', '-y+3/2, x+1/2, z'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+2', 'x, -y+1, -z+2', 'z, y, -x+2', 'z, -y+1, x', '-z+2, y, x', '-z+2, -y+1, -x+2', 'z, x-1/2, y+1/2', 'z, -x+3/2, -y+3/2', '-z+2, -x+3/2, y+1/2', '-z+2, x-1/2, -y+3/2', 'x, z-1/2, -y+3/2', '-x+2, z-1/2, y+1/2', '-x+2, -z+3/2, -y+3/2', 'x, -z+3/2, y+1/2', 'y+1/2, z-1/2, x', '-y+3/2, z-1/2, -x+2', 'y+1/2, -z+3/2, -x+2', '-y+3/2, -z+3/2, x', 'y+1/2, x-1/2, -z+2', '-y+3/2, -x+3/2, -z+2', 'y+1/2, -x+3/2, z', '-y+3/2, x-1/2, z'], ['x, y, z', '-x+2, -y+2, z', '-x+2, y, -z+1', 'x, -y+2, -z+1', 'y, x, -z+1', '-y+2, -x+2, -z+1', 'y, -x+2, z', '-y+2, x, z', 'y, z+1/2, x-1/2', '-y+2, z+1/2, -x+3/2', 'y, -z+3/2, -x+3/2', '-y+2, -z+3/2, x-1/2', 'x, z+1/2, -y+3/2', '-x+2, z+1/2, y-1/2', '-x+2, -z+3/2, -y+3/2', 'x, -z+3/2, y-1/2', 'z+1/2, x, y-1/2', 'z+1/2, -x+2, -y+3/2', '-z+3/2, -x+2, y-1/2', '-z+3/2, x, -y+3/2', 'z+1/2, y, -x+3/2', 'z+1/2, -y+2, x-1/2', '-z+3/2, y, x-1/2', '-z+3/2, -y+2, -x+3/2']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z', 'x, z, -y', '-x, z, y', '-x, -z, -y', 'x, -z, y', 'z, y, -x', 'z, -y, x', '-z, y, x', '-z, -y, -x'], ['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', 'x, z, -y+1', '-x, z, y', '-x, -z+1, -y+1', 'x, -z+1, y', 'y-1/2, z, x+1/2', '-y+1/2, z, -x+1/2', 'y-1/2, -z+1, -x+1/2', '-y+1/2, -z+1, x+1/2', 'z-1/2, y, -x+1/2', 'z-1/2, -y+1, x+1/2', '-z+1/2, y, x+1/2', '-z+1/2, -y+1, -x+1/2', 'z-1/2, x+1/2, y', 'z-1/2, -x+1/2, -y+1', '-z+1/2, -x+1/2, y', '-z+1/2, x+1/2, -y+1', 'y-1/2, x+1/2, -z+1', '-y+1/2, -x+1/2, -z+1', 'y-1/2, -x+1/2, z', '-y+1/2, x+1/2, z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', 'z, y, -x+1', 'z, -y, x', '-z+1, y, x', '-z+1, -y, -x+1', 'z, x-1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z+1, -x+1/2, y+1/2', '-z+1, x-1/2, -y+1/2', 'x, z-1/2, -y+1/2', '-x+1, z-1/2, y+1/2', '-x+1, -z+1/2, -y+1/2', 'x, -z+1/2, y+1/2', 'y+1/2, z-1/2, x', '-y+1/2, z-1/2, -x+1', 'y+1/2, -z+1/2, -x+1', '-y+1/2, -z+1/2, x', 'y+1/2, x-1/2, -z+1', '-y+1/2, -x+1/2, -z+1', 'y+1/2, -x+1/2, z', '-y+1/2, x-1/2, z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', 'y, x, -z', '-y+1, -x+1, -z', 'y, -x+1, z', '-y+1, x, z', 'y, z+1/2, x-1/2', '-y+1, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y+1, -z+1/2, x-1/2', 'x, z+1/2, -y+1/2', '-x+1, z+1/2, y-1/2', '-x+1, -z+1/2, -y+1/2', 'x, -z+1/2, y-1/2', 'z+1/2, x, y-1/2', 'z+1/2, -x+1, -y+1/2', '-z+1/2, -x+1, y-1/2', '-z+1/2, x, -y+1/2', 'z+1/2, y, -x+1/2', 'z+1/2, -y+1, x-1/2', '-z+1/2, y, x-1/2', '-z+1/2, -y+1, -x+1/2']]]\"\n210,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/4, -z+1/4, -y+1/4'], ['x, y, z', '-x+7/4, z-1/4, y+1/4'], ['x, y, z', '-x+3/4, z-1/4, y+1/4'], ['x, y, z', '-x+5/4, -z+1/4, -y+1/4'], ['x, y, z', '-z+1/4, -y+1/4, -x+1/4'], ['x, y, z', 'z+1/4, -y+7/4, x-1/4'], ['x, y, z', 'z+1/4, -y+3/4, x-1/4'], ['x, y, z', '-z+1/4, -y+5/4, -x+1/4'], ['x, y, z', '-y+1/4, -x+1/4, -z+1/4'], ['x, y, z', 'y-1/4, x+1/4, -z+7/4'], ['x, y, z', 'y-1/4, x+1/4, -z+3/4'], ['x, y, z', '-y+1/4, -x+1/4, -z+5/4'], ['x, y, z', '-x+1/4, -z+5/4, -y+5/4'], ['x, y, z', '-x+7/4, z-1/4, y+1/4'], ['x, y, z', '-x+3/4, z-1/4, y+1/4'], ['x, y, z', '-x+5/4, -z+5/4, -y+5/4'], ['x, y, z', '-z+3/4, -y+5/4, -x+3/4'], ['x, y, z', 'z-1/4, -y+11/4, x+1/4'], ['x, y, z', 'z-1/4, -y+7/4, x+1/4'], ['x, y, z', '-z+3/4, -y+9/4, -x+3/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+5/4'], ['x, y, z', 'y-3/4, x+3/4, -z+11/4'], ['x, y, z', 'y-3/4, x+3/4, -z+7/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+9/4'], ['x, y, z', '-x+5/4, -z+3/4, -y+3/4'], ['x, y, z', '-x+11/4, z-3/4, y+3/4'], ['x, y, z', '-x+7/4, z-3/4, y+3/4'], ['x, y, z', '-x+9/4, -z+3/4, -y+3/4'], ['x, y, z', '-z+5/4, -y+1/4, -x+5/4'], ['x, y, z', 'z+1/4, -y+7/4, x-1/4'], ['x, y, z', 'z+1/4, -y+3/4, x-1/4'], ['x, y, z', '-z+5/4, -y+5/4, -x+5/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+5/4'], ['x, y, z', 'y+1/4, x-1/4, -z+11/4'], ['x, y, z', 'y+1/4, x-1/4, -z+7/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+9/4'], ['x, y, z', '-x+5/4, -z+3/4, -y+3/4'], ['x, y, z', '-x+11/4, z+1/4, y-1/4'], ['x, y, z', '-x+7/4, z+1/4, y-1/4'], ['x, y, z', '-x+9/4, -z+3/4, -y+3/4'], ['x, y, z', '-z+3/4, -y+5/4, -x+3/4'], ['x, y, z', 'z+3/4, -y+11/4, x-3/4'], ['x, y, z', 'z+3/4, -y+7/4, x-3/4'], ['x, y, z', '-z+3/4, -y+9/4, -x+3/4'], ['x, y, z', '-y+5/4, -x+5/4, -z+1/4'], ['x, y, z', 'y-1/4, x+1/4, -z+7/4'], ['x, y, z', 'y-1/4, x+1/4, -z+3/4'], ['x, y, z', '-y+5/4, -x+5/4, -z+5/4']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+2, -z+2'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x+1, y, -z+2'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+3/2, y, -z+5/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+5/2'], ['x, y, z', 'x, -y+5/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+5/2, z'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y+1, -z+2'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+2, y, -z+2'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+2, -y+1, z'], ['x, y, z', '-x+5/2, y, -z+5/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', 'x, -y+1/2, -z+5/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', '-x+5/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+2, -z+1'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+2, y, -z+1'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+2, -y+2, z'], ['x, y, z', '-x+5/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+5/2, -z+1/2'], ['x, y, z', '-x+5/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+5/2, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1/2, x+1/2, -y+1', 'y-1/2, -z+1, -x+1/2'], ['x, y, z', 'z+1/2, -x+1, -y+1/2', '-y+1, -z+1/2, x-1/2'], ['x, y, z', '-z+1, -x+1/2, y+1/2', '-y+1/2, z-1/2, -x+1'], ['x, y, z', '-z+3/2, x-1/2, -y+1', 'y+1/2, -z+1, -x+3/2'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z-1/2, -x+1, -y+3/2', '-y+1, -z+3/2, x+1/2'], ['x, y, z', '-z+1, -x+3/2, y-1/2', '-y+3/2, z+1/2, -x+1'], ['x, y, z', 'y-1/2, z, x+1/2', 'z-1/2, x+1/2, y'], ['x, y, z', 'y-1, -z+2, -x+1', '-z+1, x+1, -y+2'], ['x, y, z', '-y+3/2, -z+3/2, x', 'z, -x+3/2, -y+3/2'], ['x, y, z', '-y+1, z-1/2, -x+3/2', '-z+3/2, -x+1, y+1/2'], ['x, y, z', 'y, -z+2, -x+2', '-z+2, x, -y+2'], ['x, y, z', 'y-1/2, z, x+1/2', 'z-1/2, x+1/2, y'], ['x, y, z', '-y+3/2, -z+5/2, x+1', 'z-1, -x+3/2, -y+5/2'], ['x, y, z', '-y+2, z+1/2, -x+3/2', '-z+3/2, -x+2, y-1/2'], ['x, y, z', 'z, x-1/2, y+1/2', 'y+1/2, z-1/2, x'], ['x, y, z', '-z+3/2, x, -y+3/2', 'y, -z+3/2, -x+3/2'], ['x, y, z', 'z+1/2, -x+3/2, -y+1', '-y+3/2, -z+1, x-1/2'], ['x, y, z', '-z+2, -x+1, y+1', '-y+1, z-1, -x+2'], ['x, y, z', '-z+5/2, x-1, -y+3/2', 'y+1, -z+3/2, -x+5/2'], ['x, y, z', 'z, x-1/2, y+1/2', 'y+1/2, z-1/2, x'], ['x, y, z', 'z-1/2, -x+3/2, -y+2', '-y+3/2, -z+2, x+1/2'], ['x, y, z', '-z+2, -x+2, y', '-y+2, z, -x+2'], ['x, y, z', 'y, z+1/2, x-1/2', 'z+1/2, x, y-1/2'], ['x, y, z', 'y-1/2, -z+3/2, -x+1', '-z+1, x+1/2, -y+3/2'], ['x, y, z', '-y+2, -z+1, x-1', 'z+1, -x+2, -y+1'], ['x, y, z', '-y+3/2, z, -x+3/2', '-z+3/2, -x+3/2, y'], ['x, y, z', 'y+1/2, -z+3/2, -x+2', '-z+2, x-1/2, -y+3/2'], ['x, y, z', 'y, z+1/2, x-1/2', 'z+1/2, x, y-1/2'], ['x, y, z', '-y+2, -z+2, x', 'z, -x+2, -y+2'], ['x, y, z', '-y+5/2, z+1, -x+3/2', '-z+3/2, -x+5/2, y-1']], [['x, y, z', 'z, x, y', 'y, z, x', '-y+5/4, -x+5/4, -z+5/4', '-x+5/4, -z+5/4, -y+5/4', '-z+5/4, -y+5/4, -x+5/4'], ['x, y, z', '-z+1/2, x+1/2, -y+1', 'y-1/2, -z+1, -x+1/2', '-y+5/4, -x+5/4, -z+1/4', '-x+3/4, z+3/4, y-3/4', 'z+1/4, -y+7/4, x-1/4'], ['x, y, z', 'z+1/2, -x+1, -y+1/2', '-y+1, -z+1/2, x-1/2', 'y+3/4, x-3/4, -z+3/4', '-x+7/4, z-1/4, y+1/4', '-z+5/4, -y+1/4, -x+5/4'], ['x, y, z', '-z+1, -x+1/2, y+1/2', '-y+1/2, z-1/2, -x+1', 'y-1/4, x+1/4, -z+7/4', '-x+1/4, -z+5/4, -y+5/4', 'z-3/4, -y+3/4, x+3/4'], ['x, y, z', '-x+5/4, -z+9/4, -y+9/4', 'y-1/2, z, x+1/2', '-z+7/4, -y+9/4, -x+7/4', 'z-1/2, x+1/2, y', '-y+7/4, -x+7/4, -z+9/4'], ['x, y, z', '-x+3/4, z+3/4, y-3/4', 'y-1, -z+2, -x+1', 'z-1/4, -y+11/4, x+1/4', '-z+1, x+1, -y+2', '-y+7/4, -x+7/4, -z+5/4'], ['x, y, z', '-x+7/4, z-1/4, y+1/4', '-y+3/2, -z+3/2, x', '-z+7/4, -y+5/4, -x+7/4', 'z, -x+3/2, -y+3/2', 'y+1/4, x-1/4, -z+7/4'], ['x, y, z', '-x+1/4, -z+9/4, -y+9/4', '-y+1, z-1/2, -x+3/2', 'z-5/4, -y+7/4, x+5/4', '-z+3/2, -x+1, y+1/2', 'y-3/4, x+3/4, -z+11/4'], ['x, y, z', '-z+9/4, -y+5/4, -x+9/4', 'z, x-1/2, y+1/2', '-x+9/4, -z+7/4, -y+7/4', 'y+1/2, z-1/2, x', '-y+7/4, -x+7/4, -z+9/4'], ['x, y, z', 'z+1/4, -y+7/4, x-1/4', '-z+3/2, x, -y+3/2', '-x+7/4, z+1/4, y-1/4', 'y, -z+3/2, -x+3/2', '-y+7/4, -x+7/4, -z+5/4'], ['x, y, z', '-z+9/4, -y+1/4, -x+9/4', 'z+1/2, -x+3/2, -y+1', '-x+11/4, z-3/4, y+3/4', '-y+3/2, -z+1, x-1/2', 'y+5/4, x-5/4, -z+7/4'], ['x, y, z', 'z-3/4, -y+3/4, x+3/4', '-z+2, -x+1, y+1', '-x+5/4, -z+7/4, -y+7/4', '-y+1, z-1, -x+2', 'y+1/4, x-1/4, -z+11/4'], ['x, y, z', '-y+9/4, -x+9/4, -z+5/4', 'y, z+1/2, x-1/2', '-x+9/4, -z+7/4, -y+7/4', 'z+1/2, x, y-1/2', '-z+7/4, -y+9/4, -x+7/4'], ['x, y, z', '-y+9/4, -x+9/4, -z+1/4', 'y-1/2, -z+3/2, -x+1', '-x+7/4, z+5/4, y-5/4', '-z+1, x+1/2, -y+3/2', 'z+3/4, -y+11/4, x-3/4'], ['x, y, z', 'y+3/4, x-3/4, -z+3/4', '-y+2, -z+1, x-1', '-x+11/4, z+1/4, y-1/4', 'z+1, -x+2, -y+1', '-z+7/4, -y+5/4, -x+7/4'], ['x, y, z', 'y-1/4, x+1/4, -z+7/4', '-y+3/2, z, -x+3/2', '-x+5/4, -z+7/4, -y+7/4', '-z+3/2, -x+3/2, y', 'z-1/4, -y+7/4, x+1/4']], [['x, y, z', 'z, x, y', 'y, z, x', '-y+1/4, -x+1/4, -z+1/4', '-x+1/4, -z+1/4, -y+1/4', '-z+1/4, -y+1/4, -x+1/4'], ['x, y, z', '-z+3/2, x-1/2, -y+1', 'y+1/2, -z+1, -x+3/2', '-y+5/4, -x+5/4, -z+5/4', '-x+7/4, z-1/4, y+1/4', 'z+1/4, -y+3/4, x-1/4'], ['x, y, z', 'z-1/2, -x+1, -y+3/2', '-y+1, -z+3/2, x+1/2', 'y-1/4, x+1/4, -z+7/4', '-x+3/4, z-1/4, y+1/4', '-z+5/4, -y+5/4, -x+5/4'], ['x, y, z', '-z+1, -x+3/2, y-1/2', '-y+3/2, z+1/2, -x+1', 'y-1/4, x+1/4, -z+3/4', '-x+5/4, -z+5/4, -y+5/4', 'z+1/4, -y+7/4, x-1/4'], ['x, y, z', '-x+1/4, -z+5/4, -y+5/4', 'y-1/2, z, x+1/2', '-z+3/4, -y+5/4, -x+3/4', 'z-1/2, x+1/2, y', '-y+3/4, -x+3/4, -z+5/4'], ['x, y, z', '-x+7/4, z-1/4, y+1/4', 'y, -z+2, -x+2', 'z-1/4, -y+7/4, x+1/4', '-z+2, x, -y+2', '-y+7/4, -x+7/4, -z+9/4'], ['x, y, z', '-x+3/4, z-1/4, y+1/4', '-y+3/2, -z+5/2, x+1', '-z+7/4, -y+9/4, -x+7/4', 'z-1, -x+3/2, -y+5/2', 'y-3/4, x+3/4, -z+11/4'], ['x, y, z', '-x+5/4, -z+9/4, -y+9/4', '-y+2, z+1/2, -x+3/2', 'z-1/4, -y+11/4, x+1/4', '-z+3/2, -x+2, y-1/2', 'y-3/4, x+3/4, -z+7/4'], ['x, y, z', '-z+5/4, -y+1/4, -x+5/4', 'z, x-1/2, y+1/2', '-x+5/4, -z+3/4, -y+3/4', 'y+1/2, z-1/2, x', '-y+3/4, -x+3/4, -z+5/4'], ['x, y, z', 'z+1/4, -y+3/4, x-1/4', '-z+5/2, x-1, -y+3/2', '-x+11/4, z-3/4, y+3/4', 'y+1, -z+3/2, -x+5/2', '-y+7/4, -x+7/4, -z+9/4'], ['x, y, z', '-z+9/4, -y+5/4, -x+9/4', 'z-1/2, -x+3/2, -y+2', '-x+7/4, z-3/4, y+3/4', '-y+3/2, -z+2, x+1/2', 'y+1/4, x-1/4, -z+11/4'], ['x, y, z', 'z+1/4, -y+7/4, x-1/4', '-z+2, -x+2, y', '-x+9/4, -z+7/4, -y+7/4', '-y+2, z, -x+2', 'y+1/4, x-1/4, -z+7/4'], ['x, y, z', '-y+5/4, -x+5/4, -z+1/4', 'y, z+1/2, x-1/2', '-x+5/4, -z+3/4, -y+3/4', 'z+1/2, x, y-1/2', '-z+3/4, -y+5/4, -x+3/4'], ['x, y, z', '-y+9/4, -x+9/4, -z+5/4', 'y+1/2, -z+3/2, -x+2', '-x+11/4, z+1/4, y-1/4', '-z+2, x-1/2, -y+3/2', 'z+3/4, -y+7/4, x-3/4'], ['x, y, z', 'y-1/4, x+1/4, -z+7/4', '-y+2, -z+2, x', '-x+7/4, z+1/4, y-1/4', 'z, -x+2, -y+2', '-z+7/4, -y+9/4, -x+7/4'], ['x, y, z', 'y-1/4, x+1/4, -z+3/4', '-y+5/2, z+1, -x+3/2', '-x+9/4, -z+7/4, -y+7/4', '-z+3/2, -x+5/2, y-1', 'z+3/4, -y+11/4, x-3/4']], [['x, y, z', 'z, x, y', 'y, z, x', '-x+1, -y+1, z', '-z+1, -x+1, y', '-y+1, -z+1, x', 'x, -y+1, -z+1', 'z, -x+1, -y+1', 'y, -z+1, -x+1', '-x+1, y, -z+1', '-z+1, x, -y+1', '-y+1, z, -x+1'], ['x, y, z', '-z+1/2, x+1/2, -y+1', 'y-1/2, -z+1, -x+1/2', '-x+1/2, y, -z+1/2', 'z, x+1/2, y-1/2', '-y+1, -z+1, x', '-x+1/2, -y+3/2, z', 'z, -x+1, -y+1', '-y+1, z+1/2, -x+1/2', 'x, -y+3/2, -z+1/2', '-z+1/2, -x+1, y-1/2', 'y-1/2, z+1/2, x'], ['x, y, z', '-z+3/2, x+1/2, -y+2', 'y-1/2, -z+2, -x+3/2', '-x+1, -y+2, z', 'z-1/2, -x+3/2, -y+2', '-y+3/2, z, -x+3/2', 'x, -y+2, -z+2', '-z+3/2, -x+3/2, y', 'y-1/2, z, x+1/2', '-x+1, y, -z+2', 'z-1/2, x+1/2, y', '-y+3/2, -z+2, x+1/2'], ['x, y, z', '-z+1, -x+3/2, y-1/2', '-y+3/2, z+1/2, -x+1', '-x+1/2, y, -z+3/2', 'z-1/2, -x+3/2, -y+2', 'y-1, z+1/2, x+1/2', '-x+1/2, -y+5/2, z', 'z-1/2, x+1, y-1/2', 'y-1, -z+2, -x+1', 'x, -y+5/2, -z+3/2', '-z+1, x+1, -y+2', '-y+3/2, -z+2, x+1/2'], ['x, y, z', '-z+2, -x+3/2, y+1/2', '-y+3/2, z-1/2, -x+2', '-x+2, -y+1, z', 'z, x-1/2, y+1/2', 'y+1/2, -z+3/2, -x+2', 'x, -y+1, -z+2', '-z+2, x-1/2, -y+3/2', '-y+3/2, -z+3/2, x', '-x+2, y, -z+2', 'z, -x+3/2, -y+3/2', 'y+1/2, z-1/2, x'], ['x, y, z', 'z, x, y', 'y, z, x', '-x+3/2, y, -z+3/2', '-z+3/2, x, -y+3/2', '-y+3/2, z, -x+3/2', '-x+3/2, -y+3/2, z', '-z+3/2, -x+3/2, y', '-y+3/2, -z+3/2, x', 'x, -y+3/2, -z+3/2', 'z, -x+3/2, -y+3/2', 'y, -z+3/2, -x+3/2'], ['x, y, z', 'z+1/2, -x+2, -y+3/2', '-y+2, -z+3/2, x-1/2', '-x+2, -y+2, z', '-z+3/2, x, -y+3/2', 'y, z+1/2, x-1/2', 'x, -y+2, -z+1', 'z+1/2, x, y-1/2', '-y+2, z+1/2, -x+3/2', '-x+2, y, -z+1', '-z+3/2, -x+2, y-1/2', 'y, -z+3/2, -x+3/2'], ['x, y, z', 'z+1/2, -x+2, -y+3/2', '-y+2, -z+3/2, x-1/2', '-x+3/2, y, -z+1/2', '-z+1, -x+2, y-1', 'y-1/2, -z+3/2, -x+1', '-x+3/2, -y+5/2, z', '-z+1, x+1/2, -y+3/2', 'y-1/2, z+1, x-1/2', 'x, -y+5/2, -z+1/2', 'z+1/2, x+1/2, y-1', '-y+2, z+1, -x+1']], [['x, y, z', 'z, x, y', 'y, z, x', '-x, -y, z', '-z, -x, y', '-y, -z, x', 'x, -y, -z', 'z, -x, -y', 'y, -z, -x', '-x, y, -z', '-z, x, -y', '-y, z, -x'], ['x, y, z', '-z+3/2, x-1/2, -y+1', 'y+1/2, -z+1, -x+3/2', '-x+3/2, y, -z+3/2', 'z, x-1/2, y+1/2', '-y+1, -z+1, x', '-x+3/2, -y+1/2, z', 'z, -x+1, -y+1', '-y+1, z-1/2, -x+3/2', 'x, -y+1/2, -z+3/2', '-z+3/2, -x+1, y+1/2', 'y+1/2, z-1/2, x'], ['x, y, z', '-z+1/2, x+1/2, -y+1', 'y-1/2, -z+1, -x+1/2', '-x, -y+1, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, z, -x+1/2', 'x, -y+1, -z+1', '-z+1/2, -x+1/2, y', 'y-1/2, z, x+1/2', '-x, y, -z+1', 'z-1/2, x+1/2, y', '-y+1/2, -z+1, x+1/2'], ['x, y, z', '-z+2, -x+3/2, y+1/2', '-y+3/2, z-1/2, -x+2', '-x+3/2, y, -z+5/2', 'z-1/2, -x+3/2, -y+2', 'y, z-1/2, x+1/2', '-x+3/2, -y+3/2, z', 'z-1/2, x, y+1/2', 'y, -z+2, -x+2', 'x, -y+3/2, -z+5/2', '-z+2, x, -y+2', '-y+3/2, -z+2, x+1/2'], ['x, y, z', '-z+1, -x+1/2, y+1/2', '-y+1/2, z-1/2, -x+1', '-x+1, -y, z', 'z, x-1/2, y+1/2', 'y+1/2, -z+1/2, -x+1', 'x, -y, -z+1', '-z+1, x-1/2, -y+1/2', '-y+1/2, -z+1/2, x', '-x+1, y, -z+1', 'z, -x+1/2, -y+1/2', 'y+1/2, z-1/2, x'], ['x, y, z', 'z, x-1, y+1', 'y+1, z-1, x', '-x+5/2, y, -z+5/2', '-z+5/2, x-1, -y+3/2', '-y+3/2, z-1, -x+5/2', '-x+5/2, -y+1/2, z', '-z+5/2, -x+3/2, y+1', '-y+3/2, -z+3/2, x', 'x, -y+1/2, -z+5/2', 'z, -x+3/2, -y+3/2', 'y+1, -z+3/2, -x+5/2'], ['x, y, z', 'z+1/2, -x+1, -y+1/2', '-y+1, -z+1/2, x-1/2', '-x+1, -y+1, z', '-z+1/2, x, -y+1/2', 'y, z+1/2, x-1/2', 'x, -y+1, -z', 'z+1/2, x, y-1/2', '-y+1, z+1/2, -x+1/2', '-x+1, y, -z', '-z+1/2, -x+1, y-1/2', 'y, -z+1/2, -x+1/2'], ['x, y, z', 'z+1/2, -x+2, -y+3/2', '-y+2, -z+3/2, x-1/2', '-x+5/2, y, -z+3/2', '-z+2, -x+2, y', 'y+1/2, -z+3/2, -x+2', '-x+5/2, -y+3/2, z', '-z+2, x-1/2, -y+3/2', 'y+1/2, z, x-1/2', 'x, -y+3/2, -z+3/2', 'z+1/2, x-1/2, y', '-y+2, z, -x+2']]]\"\n211,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/2, -z+1/2, -y+1/2'], ['x, y, z', '-x+3/2, z-1/2, y+1/2'], ['x, y, z', '-x+3/2, z-1/2, y+1/2'], ['x, y, z', '-x+1/2, -z+1/2, -y+1/2'], ['x, y, z', '-z+1/2, -y+1/2, -x+1/2'], ['x, y, z', 'z+1/2, -y+3/2, x-1/2'], ['x, y, z', 'z+1/2, -y+3/2, x-1/2'], ['x, y, z', '-z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x+3/2, -z+3/2, -y+3/2'], ['x, y, z', '-x+5/2, z-1/2, y+1/2'], ['x, y, z', '-x+5/2, z-1/2, y+1/2'], ['x, y, z', '-x+3/2, -z+3/2, -y+3/2'], ['x, y, z', '-z+3/2, -y+3/2, -x+3/2'], ['x, y, z', 'z+1/2, -y+5/2, x-1/2'], ['x, y, z', 'z+1/2, -y+5/2, x-1/2'], ['x, y, z', '-z+3/2, -y+3/2, -x+3/2'], ['x, y, z', '-y+3/2, -x+3/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+5/2'], ['x, y, z', 'y-1/2, x+1/2, -z+5/2'], ['x, y, z', '-y+3/2, -x+3/2, -z+3/2']], [['x, y, z', '-x, z, y'], ['x, y, z', '-x, -z, -y'], ['x, y, z', '-x, -z, -y'], ['x, y, z', '-x, z, y'], ['x, y, z', 'z, -y, x'], ['x, y, z', '-z, -y, -x'], ['x, y, z', '-z, -y, -x'], ['x, y, z', 'z, -y, x'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', 'y, x, -z'], ['x, y, z', '-x+1, z, y'], ['x, y, z', '-x+1, -z+1, -y+1'], ['x, y, z', '-x+1, -z+1, -y+1'], ['x, y, z', '-x+1, z, y'], ['x, y, z', 'z, -y+1, x'], ['x, y, z', '-z+1, -y+1, -x+1'], ['x, y, z', '-z+1, -y+1, -x+1'], ['x, y, z', 'z, -y+1, x'], ['x, y, z', 'y, x, -z+1'], ['x, y, z', '-y+1, -x+1, -z+1'], ['x, y, z', '-y+1, -x+1, -z+1'], ['x, y, z', 'y, x, -z+1']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', 'x, -y+2, -z+1'], ['x, y, z', 'x, -y+2, -z+1'], ['x, y, z', '-x+1, y, -z+2'], ['x, y, z', '-x+1, y, -z+2'], ['x, y, z', '-x+2, -y+1, z'], ['x, y, z', '-x+2, -y+1, z'], ['x, y, z', '-x+2, y, -z+1'], ['x, y, z', '-x+2, y, -z+1'], ['x, y, z', 'x, -y+1, -z+2'], ['x, y, z', 'x, -y+1, -z+2'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+1, -y+2, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1']], [['x, y, z', 'x, -y, -z', 'x, z, -y', 'x, -z, y'], ['x, y, z', 'x, -y, -z', 'x, z, -y', 'x, -z, y'], ['x, y, z', '-x, y, -z', 'z, y, -x', '-z, y, x'], ['x, y, z', '-x, y, -z', 'z, y, -x', '-z, y, x'], ['x, y, z', '-x, -y, z', 'y, -x, z', '-y, x, z'], ['x, y, z', '-x, -y, z', 'y, -x, z', '-y, x, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, z, -y+1', 'x, -z+1, y'], ['x, y, z', 'x, -y+1, -z+1', 'x, z, -y+1', 'x, -z+1, y'], ['x, y, z', '-x+1, y, -z+1', 'z, y, -x+1', '-z+1, y, x'], ['x, y, z', '-x+1, y, -z+1', 'z, y, -x+1', '-z+1, y, x'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, z', '-y+1, x, z'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, z', '-y+1, x, z']], [['x, y, z', 'x, -y+1, -z', '-x+1/2, z+1/2, y-1/2', '-x+1/2, -z+1/2, -y+1/2'], ['x, y, z', 'x, -y+1, -z', '-x+3/2, z+1/2, y-1/2', '-x+3/2, -z+1/2, -y+1/2'], ['x, y, z', '-x, y, -z+1', 'z-1/2, -y+1/2, x+1/2', '-z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-x, y, -z+1', 'z-1/2, -y+3/2, x+1/2', '-z+1/2, -y+3/2, -x+1/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z+3/2', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', 'x, -y+2, -z+1', '-x+3/2, z+1/2, y-1/2', '-x+3/2, -z+3/2, -y+3/2'], ['x, y, z', 'x, -y+2, -z+1', '-x+5/2, z+1/2, y-1/2', '-x+5/2, -z+3/2, -y+3/2'], ['x, y, z', '-x+1, y, -z+2', 'z-1/2, -y+3/2, x+1/2', '-z+3/2, -y+3/2, -x+3/2'], ['x, y, z', '-x+1, y, -z+2', 'z-1/2, -y+5/2, x+1/2', '-z+3/2, -y+5/2, -x+3/2'], ['x, y, z', '-x+2, -y+1, z', 'y+1/2, x-1/2, -z+3/2', '-y+3/2, -x+3/2, -z+3/2'], ['x, y, z', '-x+2, -y+1, z', 'y+1/2, x-1/2, -z+5/2', '-y+3/2, -x+3/2, -z+5/2']], [['x, y, z', 'z, x, y', 'y, z, x', '-y+1/2, -x+1/2, -z+1/2', '-x+1/2, -z+1/2, -y+1/2', '-z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', '-y+3/2, -x+3/2, -z+1/2', '-x+3/2, z+1/2, y-1/2', 'z+1/2, -y+3/2, x-1/2'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x', 'y+1/2, x-1/2, -z+3/2', '-x+3/2, z-1/2, y+1/2', '-z+3/2, -y+1/2, -x+3/2'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1', 'y-1/2, x+1/2, -z+3/2', '-x+1/2, -z+3/2, -y+3/2', 'z-1/2, -y+3/2, x+1/2'], ['x, y, z', 'z, x, y', 'y, z, x', '-y+3/2, -x+3/2, -z+3/2', '-x+3/2, -z+3/2, -y+3/2', '-z+3/2, -y+3/2, -x+3/2'], ['x, y, z', '-z+2, x, -y+2', 'y, -z+2, -x+2', '-y+5/2, -x+5/2, -z+3/2', '-x+5/2, z+1/2, y-1/2', 'z+1/2, -y+5/2, x-1/2'], ['x, y, z', 'z, -x+2, -y+2', '-y+2, -z+2, x', 'y+1/2, x-1/2, -z+5/2', '-x+5/2, z-1/2, y+1/2', '-z+5/2, -y+3/2, -x+5/2'], ['x, y, z', '-z+2, -x+2, y', '-y+2, z, -x+2', 'y-1/2, x+1/2, -z+5/2', '-x+3/2, -z+5/2, -y+5/2', 'z-1/2, -y+5/2, x+1/2']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', 'x, z, -y+1', '-x, z, y', '-x, -z+1, -y+1', 'x, -z+1, y'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', 'z, y, -x+1', 'z, -y, x', '-z+1, y, x', '-z+1, -y, -x+1'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', 'y, x, -z', '-y+1, -x+1, -z', 'y, -x+1, z', '-y+1, x, z'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+2', 'x, -y+2, -z+2', 'x, z, -y+2', '-x+1, z, y', '-x+1, -z+2, -y+2', 'x, -z+2, y'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+2', 'x, -y+1, -z+2', 'z, y, -x+2', 'z, -y+1, x', '-z+2, y, x', '-z+2, -y+1, -x+2'], ['x, y, z', '-x+2, -y+2, z', '-x+2, y, -z+1', 'x, -y+2, -z+1', 'y, x, -z+1', '-y+2, -x+2, -z+1', 'y, -x+2, z', '-y+2, x, z']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z', 'x, z, -y', '-x, z, y', '-x, -z, -y', 'x, -z, y', 'z, y, -x', 'z, -y, x', '-z, y, x', '-z, -y, -x'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x', 'y, x, -z+1', '-y+1, -x+1, -z+1', 'y, -x+1, z', '-y+1, x, z', 'x, z, -y+1', '-x+1, z, y', '-x+1, -z+1, -y+1', 'x, -z+1, y', 'z, y, -x+1', 'z, -y+1, x', '-z+1, y, x', '-z+1, -y+1, -x+1']]]\"\n212,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/4, -z+1/4, -y+1/4'], ['x, y, z', '-x+3/4, z-3/4, y+3/4'], ['x, y, z', '-x+7/4, z+1/4, y-1/4'], ['x, y, z', '-x+5/4, -z+5/4, -y+5/4'], ['x, y, z', '-z+1/4, -y+1/4, -x+1/4'], ['x, y, z', 'z+3/4, -y+3/4, x-3/4'], ['x, y, z', 'z-1/4, -y+7/4, x+1/4'], ['x, y, z', '-z+5/4, -y+5/4, -x+5/4'], ['x, y, z', '-y+1/4, -x+1/4, -z+1/4'], ['x, y, z', 'y-3/4, x+3/4, -z+3/4'], ['x, y, z', 'y+1/4, x-1/4, -z+7/4'], ['x, y, z', '-y+5/4, -x+5/4, -z+5/4']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2'], ['x, y, z', '-z+1, x+1/2, -y+3/2', 'y-1/2, -z+3/2, -x+1'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z+1/2, -x+3/2, -y+1', '-y+3/2, -z+1, x-1/2'], ['x, y, z', '-z+3/2, -x+1, y+1/2', '-y+1, z-1/2, -x+3/2']], [['x, y, z', 'z, x, y', 'y, z, x', '-y+5/4, -x+5/4, -z+5/4', '-x+5/4, -z+5/4, -y+5/4', '-z+5/4, -y+5/4, -x+5/4'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1', '-y+5/4, -x+5/4, -z+1/4', '-x+7/4, z+1/4, y-1/4', 'z+3/4, -y+3/4, x-3/4'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2', 'y+1/4, x-1/4, -z+7/4', '-x+3/4, z-3/4, y+3/4', '-z+5/4, -y+1/4, -x+5/4'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2', 'y-3/4, x+3/4, -z+3/4', '-x+1/4, -z+5/4, -y+5/4', 'z-1/4, -y+7/4, x+1/4']], [['x, y, z', 'z, x, y', 'y, z, x', '-y+1/4, -x+1/4, -z+1/4', '-x+1/4, -z+1/4, -y+1/4', '-z+1/4, -y+1/4, -x+1/4'], ['x, y, z', '-z+1, x+1/2, -y+3/2', 'y-1/2, -z+3/2, -x+1', '-y+5/4, -x+5/4, -z+5/4', '-x+3/4, z+1/4, y-1/4', 'z-1/4, -y+7/4, x+1/4'], ['x, y, z', 'z+1/2, -x+3/2, -y+1', '-y+3/2, -z+1, x-1/2', 'y+1/4, x-1/4, -z+3/4', '-x+7/4, z+1/4, y-1/4', '-z+5/4, -y+5/4, -x+5/4'], ['x, y, z', '-z+3/2, -x+1, y+1/2', '-y+1, z-1/2, -x+3/2', 'y+1/4, x-1/4, -z+7/4', '-x+5/4, -z+5/4, -y+5/4', 'z-1/4, -y+3/4, x+1/4']]]\"\n213,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/4, z-1/4, y+1/4'], ['x, y, z', '-x+3/4, -z+3/4, -y+3/4'], ['x, y, z', '-x+7/4, -z+3/4, -y+3/4'], ['x, y, z', '-x+5/4, z-1/4, y+1/4'], ['x, y, z', 'z+1/4, -y+1/4, x-1/4'], ['x, y, z', '-z+3/4, -y+3/4, -x+3/4'], ['x, y, z', '-z+3/4, -y+7/4, -x+3/4'], ['x, y, z', 'z+1/4, -y+5/4, x-1/4'], ['x, y, z', 'y-1/4, x+1/4, -z+1/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+3/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+7/4'], ['x, y, z', 'y-1/4, x+1/4, -z+5/4']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2']], [['x, y, z', 'z, x, y', 'y, z, x', '-y+7/4, -x+7/4, -z+7/4', '-x+7/4, -z+7/4, -y+7/4', '-z+7/4, -y+7/4, -x+7/4'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1', '-y+3/4, -x+3/4, -z+3/4', '-x+5/4, z-1/4, y+1/4', 'z+1/4, -y+1/4, x-1/4'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2', 'y-1/4, x+1/4, -z+5/4', '-x+1/4, z-1/4, y+1/4', '-z+3/4, -y+3/4, -x+3/4'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2', 'y-1/4, x+1/4, -z+1/4', '-x+3/4, -z+3/4, -y+3/4', 'z+1/4, -y+5/4, x-1/4']], [['x, y, z', 'z, x, y', 'y, z, x', '-y+3/4, -x+3/4, -z+3/4', '-x+3/4, -z+3/4, -y+3/4', '-z+3/4, -y+3/4, -x+3/4'], ['x, y, z', '-z+1, x+1/2, -y+3/2', 'y-1/2, -z+3/2, -x+1', '-y+3/4, -x+3/4, -z+7/4', '-x+1/4, z-1/4, y+1/4', 'z-3/4, -y+5/4, x+3/4'], ['x, y, z', 'z+1/2, -x+3/2, -y+1', '-y+3/2, -z+1, x-1/2', 'y-1/4, x+1/4, -z+1/4', '-x+5/4, z+3/4, y-3/4', '-z+3/4, -y+7/4, -x+3/4'], ['x, y, z', '-z+3/2, -x+1, y+1/2', '-y+1, z-1/2, -x+3/2', 'y+3/4, x-3/4, -z+5/4', '-x+7/4, -z+3/4, -y+3/4', 'z+1/4, -y+1/4, x-1/4']]]\"\n214,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/4, -z+1/4, -y+1/4'], ['x, y, z', '-x+3/4, z-3/4, y+3/4'], ['x, y, z', '-x+7/4, z+1/4, y-1/4'], ['x, y, z', '-x+5/4, -z+5/4, -y+5/4'], ['x, y, z', '-z+1/4, -y+1/4, -x+1/4'], ['x, y, z', 'z+3/4, -y+3/4, x-3/4'], ['x, y, z', 'z-1/4, -y+7/4, x+1/4'], ['x, y, z', '-z+5/4, -y+5/4, -x+5/4'], ['x, y, z', '-y+1/4, -x+1/4, -z+1/4'], ['x, y, z', 'y-3/4, x+3/4, -z+3/4'], ['x, y, z', 'y+1/4, x-1/4, -z+7/4'], ['x, y, z', '-y+5/4, -x+5/4, -z+5/4'], ['x, y, z', '-x+5/4, -z+5/4, -y+5/4'], ['x, y, z', '-x+7/4, z-3/4, y+3/4'], ['x, y, z', '-x+11/4, z+1/4, y-1/4'], ['x, y, z', '-x+9/4, -z+9/4, -y+9/4'], ['x, y, z', '-z+5/4, -y+5/4, -x+5/4'], ['x, y, z', 'z+3/4, -y+7/4, x-3/4'], ['x, y, z', 'z-1/4, -y+11/4, x+1/4'], ['x, y, z', '-z+9/4, -y+9/4, -x+9/4'], ['x, y, z', '-y+5/4, -x+5/4, -z+5/4'], ['x, y, z', 'y-3/4, x+3/4, -z+7/4'], ['x, y, z', 'y+1/4, x-1/4, -z+11/4'], ['x, y, z', '-y+9/4, -x+9/4, -z+9/4']], [['x, y, z', '-x+1/4, z-1/4, y+1/4'], ['x, y, z', '-x+3/4, -z+3/4, -y+3/4'], ['x, y, z', '-x+7/4, -z+3/4, -y+3/4'], ['x, y, z', '-x+5/4, z-1/4, y+1/4'], ['x, y, z', 'z+1/4, -y+1/4, x-1/4'], ['x, y, z', '-z+3/4, -y+3/4, -x+3/4'], ['x, y, z', '-z+3/4, -y+7/4, -x+3/4'], ['x, y, z', 'z+1/4, -y+5/4, x-1/4'], ['x, y, z', 'y-1/4, x+1/4, -z+1/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+3/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+7/4'], ['x, y, z', 'y-1/4, x+1/4, -z+5/4'], ['x, y, z', '-x+5/4, z-1/4, y+1/4'], ['x, y, z', '-x+7/4, -z+7/4, -y+7/4'], ['x, y, z', '-x+11/4, -z+7/4, -y+7/4'], ['x, y, z', '-x+9/4, z-1/4, y+1/4'], ['x, y, z', 'z+1/4, -y+5/4, x-1/4'], ['x, y, z', '-z+7/4, -y+7/4, -x+7/4'], ['x, y, z', '-z+7/4, -y+11/4, -x+7/4'], ['x, y, z', 'z+1/4, -y+9/4, x-1/4'], ['x, y, z', 'y-1/4, x+1/4, -z+5/4'], ['x, y, z', '-y+7/4, -x+7/4, -z+7/4'], ['x, y, z', '-y+7/4, -x+7/4, -z+11/4'], ['x, y, z', 'y-1/4, x+1/4, -z+9/4']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x, -y+1/2, z'], ['x, y, z', '-x, -y+3/2, z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', 'x, -y+1, -z+1/2'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', '-x, -y+1/2, z'], ['x, y, z', '-x+1, -y+1/2, z'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, -z+5/2'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+5/2, y, -z+1'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x+1, -y+5/2, z'], ['x, y, z', '-x+5/2, y, -z+1'], ['x, y, z', '-x+5/2, y, -z+2'], ['x, y, z', 'x, -y+2, -z+3/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x+2, -y+3/2, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+2, x-1/2, -y+3/2', 'y+1/2, -z+3/2, -x+2'], ['x, y, z', 'z-1/2, -x+3/2, -y+2', '-y+3/2, -z+2, x+1/2'], ['x, y, z', '-z+3/2, -x+2, y-1/2', '-y+2, z+1/2, -x+3/2'], ['x, y, z', '-z+2, x-1/2, -y+3/2', 'y+1/2, -z+3/2, -x+2'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z-1/2, -x+3/2, -y+2', '-y+3/2, -z+2, x+1/2'], ['x, y, z', '-z+3/2, -x+2, y-1/2', '-y+2, z+1/2, -x+3/2']], [['x, y, z', '-x+5/4, z-1/4, y+1/4', 'x, -y, -z+1/2', '-x+5/4, -z+1/4, -y+1/4'], ['x, y, z', '-x+7/4, -z+3/4, -y+3/4', 'x, -y, -z+3/2', '-x+7/4, z-3/4, y+3/4'], ['x, y, z', 'z+1/4, -y+5/4, x-1/4', '-x+1/2, y, -z', '-z+1/4, -y+5/4, -x+1/4'], ['x, y, z', '-z+3/4, -y+7/4, -x+3/4', '-x+3/2, y, -z', 'z+3/4, -y+7/4, x-3/4'], ['x, y, z', 'y-1/4, x+1/4, -z+5/4', '-x, -y+1/2, z', '-y+1/4, -x+1/4, -z+5/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+7/4', '-x, -y+3/2, z', 'y-3/4, x+3/4, -z+7/4'], ['x, y, z', '-x+9/4, z-1/4, y+1/4', 'x, -y+1, -z+3/2', '-x+9/4, -z+5/4, -y+5/4'], ['x, y, z', '-x+11/4, -z+7/4, -y+7/4', 'x, -y+1, -z+5/2', '-x+11/4, z-3/4, y+3/4'], ['x, y, z', 'z+1/4, -y+9/4, x-1/4', '-x+3/2, y, -z+1', '-z+5/4, -y+9/4, -x+5/4'], ['x, y, z', '-z+7/4, -y+11/4, -x+7/4', '-x+5/2, y, -z+1', 'z+3/4, -y+11/4, x-3/4'], ['x, y, z', 'y-1/4, x+1/4, -z+9/4', '-x+1, -y+3/2, z', '-y+5/4, -x+5/4, -z+9/4'], ['x, y, z', '-y+7/4, -x+7/4, -z+11/4', '-x+1, -y+5/2, z', 'y-3/4, x+3/4, -z+11/4']], [['x, y, z', '-x+1/4, z-1/4, y+1/4', 'x, -y, -z+1/2', '-x+1/4, -z+1/4, -y+1/4'], ['x, y, z', '-x+3/4, -z+3/4, -y+3/4', 'x, -y, -z+3/2', '-x+3/4, z-3/4, y+3/4'], ['x, y, z', 'z+1/4, -y+1/4, x-1/4', '-x+1/2, y, -z', '-z+1/4, -y+1/4, -x+1/4'], ['x, y, z', '-z+3/4, -y+3/4, -x+3/4', '-x+3/2, y, -z', 'z+3/4, -y+3/4, x-3/4'], ['x, y, z', 'y-1/4, x+1/4, -z+1/4', '-x, -y+1/2, z', '-y+1/4, -x+1/4, -z+1/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+3/4', '-x, -y+3/2, z', 'y-3/4, x+3/4, -z+3/4'], ['x, y, z', '-x+5/4, z-1/4, y+1/4', 'x, -y+1, -z+3/2', '-x+5/4, -z+5/4, -y+5/4'], ['x, y, z', '-x+7/4, -z+7/4, -y+7/4', 'x, -y+1, -z+5/2', '-x+7/4, z-3/4, y+3/4'], ['x, y, z', 'z+1/4, -y+5/4, x-1/4', '-x+3/2, y, -z+1', '-z+5/4, -y+5/4, -x+5/4'], ['x, y, z', '-z+7/4, -y+7/4, -x+7/4', '-x+5/2, y, -z+1', 'z+3/4, -y+7/4, x-3/4'], ['x, y, z', 'y-1/4, x+1/4, -z+5/4', '-x+1, -y+3/2, z', '-y+5/4, -x+5/4, -z+5/4'], ['x, y, z', '-y+7/4, -x+7/4, -z+7/4', '-x+1, -y+5/2, z', 'y-3/4, x+3/4, -z+7/4']], [['x, y, z', 'z, x, y', 'y, z, x', '-y+7/4, -x+7/4, -z+7/4', '-x+7/4, -z+7/4, -y+7/4', '-z+7/4, -y+7/4, -x+7/4'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1', '-y+3/4, -x+3/4, -z+3/4', '-x+5/4, z-1/4, y+1/4', 'z+1/4, -y+1/4, x-1/4'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2', 'y-1/4, x+1/4, -z+5/4', '-x+1/4, z-1/4, y+1/4', '-z+3/4, -y+3/4, -x+3/4'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2', 'y-1/4, x+1/4, -z+1/4', '-x+3/4, -z+3/4, -y+3/4', 'z+1/4, -y+5/4, x-1/4'], ['x, y, z', 'z, x, y', 'y, z, x', '-y+11/4, -x+11/4, -z+11/4', '-x+11/4, -z+11/4, -y+11/4', '-z+11/4, -y+11/4, -x+11/4'], ['x, y, z', '-z+2, x-1/2, -y+3/2', 'y+1/2, -z+3/2, -x+2', '-y+7/4, -x+7/4, -z+7/4', '-x+9/4, z-1/4, y+1/4', 'z+1/4, -y+5/4, x-1/4'], ['x, y, z', 'z-1/2, -x+3/2, -y+2', '-y+3/2, -z+2, x+1/2', 'y-1/4, x+1/4, -z+9/4', '-x+5/4, z-1/4, y+1/4', '-z+7/4, -y+7/4, -x+7/4'], ['x, y, z', '-z+3/2, -x+2, y-1/2', '-y+2, z+1/2, -x+3/2', 'y-1/4, x+1/4, -z+5/4', '-x+7/4, -z+7/4, -y+7/4', 'z+1/4, -y+9/4, x-1/4']], [['x, y, z', 'z, x, y', 'y, z, x', '-y+1/4, -x+1/4, -z+1/4', '-x+1/4, -z+1/4, -y+1/4', '-z+1/4, -y+1/4, -x+1/4'], ['x, y, z', '-z+1, x+1/2, -y+3/2', 'y-1/2, -z+3/2, -x+1', '-y+5/4, -x+5/4, -z+5/4', '-x+3/4, z+1/4, y-1/4', 'z-1/4, -y+7/4, x+1/4'], ['x, y, z', 'z+1/2, -x+3/2, -y+1', '-y+3/2, -z+1, x-1/2', 'y+1/4, x-1/4, -z+3/4', '-x+7/4, z+1/4, y-1/4', '-z+5/4, -y+5/4, -x+5/4'], ['x, y, z', '-z+3/2, -x+1, y+1/2', '-y+1, z-1/2, -x+3/2', 'y+1/4, x-1/4, -z+7/4', '-x+5/4, -z+5/4, -y+5/4', 'z-1/4, -y+3/4, x+1/4'], ['x, y, z', 'z, x, y', 'y, z, x', '-y+5/4, -x+5/4, -z+5/4', '-x+5/4, -z+5/4, -y+5/4', '-z+5/4, -y+5/4, -x+5/4'], ['x, y, z', '-z+2, x+1/2, -y+5/2', 'y-1/2, -z+5/2, -x+2', '-y+9/4, -x+9/4, -z+9/4', '-x+7/4, z+1/4, y-1/4', 'z-1/4, -y+11/4, x+1/4'], ['x, y, z', 'z+1/2, -x+5/2, -y+2', '-y+5/2, -z+2, x-1/2', 'y+1/4, x-1/4, -z+7/4', '-x+11/4, z+1/4, y-1/4', '-z+9/4, -y+9/4, -x+9/4'], ['x, y, z', '-z+5/2, -x+2, y+1/2', '-y+2, z-1/2, -x+5/2', 'y+1/4, x-1/4, -z+11/4', '-x+9/4, -z+9/4, -y+9/4', 'z-1/4, -y+7/4, x+1/4']]]\"\n215,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', 'x, z, y'], ['x, y, z', 'x, z, y'], ['x, y, z', 'x, -z, -y'], ['x, y, z', 'x, -z, -y'], ['x, y, z', 'z, y, x'], ['x, y, z', 'z, y, x'], ['x, y, z', '-z, y, -x'], ['x, y, z', '-z, y, -x']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', 'x, -y+1, -z+1', 'x, z, y', 'x, -z+1, -y+1'], ['x, y, z', 'x, -y+1, -z+1', 'x, z, y', 'x, -z+1, -y+1'], ['x, y, z', '-x+1, y, -z+1', 'z, y, x', '-z+1, y, -x+1'], ['x, y, z', '-x+1, y, -z+1', 'z, y, x', '-z+1, y, -x+1'], ['x, y, z', '-x+1, -y+1, z', 'y, x, z', '-y+1, -x+1, z'], ['x, y, z', '-x+1, -y+1, z', 'y, x, z', '-y+1, -x+1, z']], [['x, y, z', 'x, -y, -z', 'x, z, y', 'x, -z, -y'], ['x, y, z', 'x, -y, -z', 'x, z, y', 'x, -z, -y'], ['x, y, z', '-x, y, -z', 'z, y, x', '-z, y, -x'], ['x, y, z', '-x, y, -z', 'z, y, x', '-z, y, -x'], ['x, y, z', '-x, -y, z', 'y, x, z', '-y, -x, z'], ['x, y, z', '-x, -y, z', 'y, x, z', '-y, -x, z']], [['x, y, z', 'z, x, y', 'y, z, x', 'y, x, z', 'x, z, y', 'z, y, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x', 'y, x, z', 'x, -z, -y', '-z, y, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x', '-y, -x, z', 'x, -z, -y', 'z, y, x'], ['x, y, z', '-z, -x, y', '-y, z, -x', '-y, -x, z', 'x, z, y', '-z, y, -x']], [['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z', 'x, z, y', '-x+1, z, -y', '-x+1, -z, y', 'x, -z, -y'], ['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z', 'z, y, x', 'z, -y+1, -x', '-z, y, -x', '-z, -y+1, x'], ['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1', 'y, x, z', '-y, -x, z', 'y, -x, -z+1', '-y, x, -z+1']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', 'x, z, y', '-x, z, -y+1', '-x, -z+1, y', 'x, -z+1, -y+1'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', 'z, y, x', 'z, -y, -x+1', '-z+1, y, -x+1', '-z+1, -y, x'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', 'y, x, z', '-y+1, -x+1, z', 'y, -x+1, -z', '-y+1, x, -z']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x', 'y, x, z', '-y+1, -x+1, z', 'y, -x+1, -z+1', '-y+1, x, -z+1', 'x, z, y', '-x+1, z, -y+1', '-x+1, -z+1, y', 'x, -z+1, -y+1', 'z, y, x', 'z, -y+1, -x+1', '-z+1, y, -x+1', '-z+1, -y+1, x']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, z', '-y, -x, z', 'y, -x, -z', '-y, x, -z', 'x, z, y', '-x, z, -y', '-x, -z, y', 'x, -z, -y', 'z, y, x', 'z, -y, -x', '-z, y, -x', '-z, -y, x']]]\"\n216,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', 'x, z, y'], ['x, y, z', 'x, z, y'], ['x, y, z', 'x, -z, -y'], ['x, y, z', 'x, -z, -y'], ['x, y, z', 'z, y, x'], ['x, y, z', 'z, y, x'], ['x, y, z', '-z, y, -x'], ['x, y, z', '-z, y, -x'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, z, y'], ['x, y, z', 'x, z, y'], ['x, y, z', 'x, -z+1, -y+1'], ['x, y, z', 'x, -z+1, -y+1'], ['x, y, z', 'z-1/2, y, x+1/2'], ['x, y, z', 'z-1/2, y, x+1/2'], ['x, y, z', '-z+1/2, y, -x+1/2'], ['x, y, z', '-z+1/2, y, -x+1/2'], ['x, y, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, z-1/2, y+1/2'], ['x, y, z', 'x, z-1/2, y+1/2'], ['x, y, z', 'x, -z+1/2, -y+1/2'], ['x, y, z', 'x, -z+1/2, -y+1/2'], ['x, y, z', 'z, y, x'], ['x, y, z', 'z, y, x'], ['x, y, z', '-z+1, y, -x+1'], ['x, y, z', '-z+1, y, -x+1'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', 'x, z+1/2, y-1/2'], ['x, y, z', 'x, z+1/2, y-1/2'], ['x, y, z', 'x, -z+1/2, -y+1/2'], ['x, y, z', 'x, -z+1/2, -y+1/2'], ['x, y, z', 'z+1/2, y, x-1/2'], ['x, y, z', 'z+1/2, y, x-1/2'], ['x, y, z', '-z+1/2, y, -x+1/2'], ['x, y, z', '-z+1/2, y, -x+1/2']], [['x, y, z', 'x, z, y', 'x, -y+1/2, -z+1/2', 'x, -z+1/2, -y+1/2'], ['x, y, z', 'x, -z+1, -y+1', 'x, -y+3/2, -z+1/2', 'x, z+1/2, y-1/2'], ['x, y, z', 'z, y, x', '-x+1/2, y, -z+1/2', '-z+1/2, y, -x+1/2'], ['x, y, z', '-z+1, y, -x+1', '-x+1/2, y, -z+3/2', 'z-1/2, y, x+1/2'], ['x, y, z', 'y, x, z', '-x+1/2, -y+1/2, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1, -x+1, z', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'x, z, y', 'x, -y+3/2, -z+3/2', 'x, -z+3/2, -y+3/2'], ['x, y, z', 'x, -z+2, -y+2', 'x, -y+5/2, -z+3/2', 'x, z+1/2, y-1/2'], ['x, y, z', '-z+1, y, -x+1', '-x+1/2, y, -z+3/2', 'z-1/2, y, x+1/2'], ['x, y, z', 'z-1, y, x+1', '-x+1/2, y, -z+5/2', '-z+3/2, y, -x+3/2'], ['x, y, z', '-y+1, -x+1, z', '-x+1/2, -y+3/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y, x, z', '-x+3/2, -y+3/2, z', '-y+3/2, -x+3/2, z'], ['x, y, z', 'x, -z+1, -y+1', 'x, -y+1/2, -z+3/2', 'x, z-1/2, y+1/2'], ['x, y, z', 'x, z, y', 'x, -y+3/2, -z+3/2', 'x, -z+3/2, -y+3/2'], ['x, y, z', 'z, y, x', '-x+3/2, y, -z+3/2', '-z+3/2, y, -x+3/2'], ['x, y, z', '-z+2, y, -x+2', '-x+3/2, y, -z+5/2', 'z-1/2, y, x+1/2'], ['x, y, z', '-y+1, -x+1, z', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'y+1, x-1, z', '-x+5/2, -y+1/2, z', '-y+3/2, -x+3/2, z'], ['x, y, z', 'x, -z+1, -y+1', 'x, -y+3/2, -z+1/2', 'x, z+1/2, y-1/2'], ['x, y, z', 'x, z+1, y-1', 'x, -y+5/2, -z+1/2', 'x, -z+3/2, -y+3/2'], ['x, y, z', '-z+1, y, -x+1', '-x+3/2, y, -z+1/2', 'z+1/2, y, x-1/2'], ['x, y, z', 'z, y, x', '-x+3/2, y, -z+3/2', '-z+3/2, y, -x+3/2'], ['x, y, z', 'y, x, z', '-x+3/2, -y+3/2, z', '-y+3/2, -x+3/2, z'], ['x, y, z', '-y+2, -x+2, z', '-x+5/2, -y+3/2, z', 'y+1/2, x-1/2, z']], [['x, y, z', 'x, -y, -z', 'x, z, y', 'x, -z, -y'], ['x, y, z', 'x, -y, -z', 'x, z, y', 'x, -z, -y'], ['x, y, z', '-x, y, -z', 'z, y, x', '-z, y, -x'], ['x, y, z', '-x, y, -z', 'z, y, x', '-z, y, -x'], ['x, y, z', '-x, -y, z', 'y, x, z', '-y, -x, z'], ['x, y, z', '-x, -y, z', 'y, x, z', '-y, -x, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, z, y', 'x, -z+1, -y+1'], ['x, y, z', 'x, -y+1, -z+1', 'x, z, y', 'x, -z+1, -y+1'], ['x, y, z', '-x, y, -z+1', 'z-1/2, y, x+1/2', '-z+1/2, y, -x+1/2'], ['x, y, z', '-x, y, -z+1', 'z-1/2, y, x+1/2', '-z+1/2, y, -x+1/2'], ['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, -y, -z+1', 'x, z-1/2, y+1/2', 'x, -z+1/2, -y+1/2'], ['x, y, z', 'x, -y, -z+1', 'x, z-1/2, y+1/2', 'x, -z+1/2, -y+1/2'], ['x, y, z', '-x+1, y, -z+1', 'z, y, x', '-z+1, y, -x+1'], ['x, y, z', '-x+1, y, -z+1', 'z, y, x', '-z+1, y, -x+1'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, -y+1, -z', 'x, z+1/2, y-1/2', 'x, -z+1/2, -y+1/2'], ['x, y, z', 'x, -y+1, -z', 'x, z+1/2, y-1/2', 'x, -z+1/2, -y+1/2'], ['x, y, z', '-x+1, y, -z', 'z+1/2, y, x-1/2', '-z+1/2, y, -x+1/2'], ['x, y, z', '-x+1, y, -z', 'z+1/2, y, x-1/2', '-z+1/2, y, -x+1/2'], ['x, y, z', '-x+1, -y+1, z', 'y, x, z', '-y+1, -x+1, z'], ['x, y, z', '-x+1, -y+1, z', 'y, x, z', '-y+1, -x+1, z']], [['x, y, z', 'z, x, y', 'y, z, x', 'y, x, z', 'x, z, y', 'z, y, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x', 'y, x, z', 'x, -z, -y', '-z, y, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x', '-y, -x, z', 'x, -z, -y', 'z, y, x'], ['x, y, z', '-z, -x, y', '-y, z, -x', '-y, -x, z', 'x, z, y', '-z, y, -x'], ['x, y, z', 'x, z, y', 'y-1/2, z, x+1/2', 'z-1/2, y, x+1/2', 'z-1/2, x+1/2, y', 'y-1/2, x+1/2, z'], ['x, y, z', 'x, -z+1, -y+1', 'y-1/2, -z+1, -x+1/2', '-z+1/2, y, -x+1/2', '-z+1/2, x+1/2, -y+1', 'y-1/2, x+1/2, z'], ['x, y, z', 'x, -z+1, -y+1', '-y+1/2, -z+1, x+1/2', 'z-1/2, y, x+1/2', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, z, y', '-y+1/2, z, -x+1/2', '-z+1/2, y, -x+1/2', '-z+1/2, -x+1/2, y', '-y+1/2, -x+1/2, z'], ['x, y, z', 'z, y, x', 'z, x-1/2, y+1/2', 'x, z-1/2, y+1/2', 'y+1/2, z-1/2, x', 'y+1/2, x-1/2, z'], ['x, y, z', '-z+1, y, -x+1', '-z+1, x-1/2, -y+1/2', 'x, -z+1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1', 'y+1/2, x-1/2, z'], ['x, y, z', 'z, y, x', 'z, -x+1/2, -y+1/2', 'x, -z+1/2, -y+1/2', '-y+1/2, -z+1/2, x', '-y+1/2, -x+1/2, z'], ['x, y, z', '-z+1, y, -x+1', '-z+1, -x+1/2, y+1/2', 'x, z-1/2, y+1/2', '-y+1/2, z-1/2, -x+1', '-y+1/2, -x+1/2, z'], ['x, y, z', 'y, x, z', 'y, z+1/2, x-1/2', 'x, z+1/2, y-1/2', 'z+1/2, x, y-1/2', 'z+1/2, y, x-1/2'], ['x, y, z', 'y, x, z', 'y, -z+1/2, -x+1/2', 'x, -z+1/2, -y+1/2', '-z+1/2, x, -y+1/2', '-z+1/2, y, -x+1/2'], ['x, y, z', '-y+1, -x+1, z', '-y+1, -z+1/2, x-1/2', 'x, -z+1/2, -y+1/2', 'z+1/2, -x+1, -y+1/2', 'z+1/2, y, x-1/2'], ['x, y, z', '-y+1, -x+1, z', '-y+1, z+1/2, -x+1/2', 'x, z+1/2, y-1/2', '-z+1/2, -x+1, y-1/2', '-z+1/2, y, -x+1/2']], [['x, y, z', 'z, x, y', 'y, z, x', 'y, x, z', 'x, z, y', 'z, y, x', 'x, -y+3/2, -z+3/2', 'z, -x+3/2, -y+3/2', 'y, -z+3/2, -x+3/2', 'y, -x+3/2, -z+3/2', 'x, -z+3/2, -y+3/2', 'z, -y+3/2, -x+3/2', '-x+3/2, y, -z+3/2', '-z+3/2, x, -y+3/2', '-y+3/2, z, -x+3/2', '-y+3/2, x, -z+3/2', '-x+3/2, z, -y+3/2', '-z+3/2, y, -x+3/2', '-x+3/2, -y+3/2, z', '-z+3/2, -x+3/2, y', '-y+3/2, -z+3/2, x', '-y+3/2, -x+3/2, z', '-x+3/2, -z+3/2, y', '-z+3/2, -y+3/2, x'], ['x, y, z', '-z+2, -x+2, y', '-y+2, z, -x+2', '-y+2, -x+2, z', 'x, z, y', '-z+2, y, -x+2', 'x, -y+5/2, -z+5/2', '-z+2, x+1/2, -y+5/2', '-y+2, -z+5/2, x+1/2', '-y+2, x+1/2, -z+5/2', 'x, -z+5/2, -y+5/2', '-z+2, -y+5/2, x+1/2', '-x+3/2, y, -z+5/2', 'z-1/2, -x+2, -y+5/2', 'y-1/2, z, x+1/2', 'y-1/2, -x+2, -z+5/2', '-x+3/2, z, -y+5/2', 'z-1/2, y, x+1/2', '-x+3/2, -y+5/2, z', 'z-1/2, x+1/2, y', 'y-1/2, -z+5/2, -x+2', 'y-1/2, x+1/2, z', '-x+3/2, -z+5/2, y', 'z-1/2, -y+5/2, -x+2'], ['x, y, z', 'z, -x+2, -y+2', '-y+2, -z+2, x', '-y+2, -x+2, z', 'x, -z+2, -y+2', 'z, y, x', 'x, -y+3/2, -z+5/2', 'z, x-1/2, y+1/2', '-y+2, z-1/2, -x+5/2', '-y+2, x-1/2, -z+5/2', 'x, z-1/2, y+1/2', 'z, -y+3/2, -x+5/2', '-x+5/2, y, -z+5/2', '-z+5/2, -x+2, y+1/2', 'y+1/2, -z+2, -x+5/2', 'y+1/2, -x+2, -z+5/2', '-x+5/2, -z+2, y+1/2', '-z+5/2, y, -x+5/2', '-x+5/2, -y+3/2, z', '-z+5/2, x-1/2, -y+2', 'y+1/2, z-1/2, x', 'y+1/2, x-1/2, z', '-x+5/2, z-1/2, -y+2', '-z+5/2, -y+3/2, x'], ['x, y, z', '-z+2, x, -y+2', 'y, -z+2, -x+2', 'y, x, z', 'x, -z+2, -y+2', '-z+2, y, -x+2', 'x, -y+5/2, -z+3/2', '-z+2, -x+5/2, y-1/2', 'y, z+1/2, x-1/2', 'y, -x+5/2, -z+3/2', 'x, z+1/2, y-1/2', '-z+2, -y+5/2, x-1/2', '-x+5/2, y, -z+3/2', 'z+1/2, x, y-1/2', '-y+5/2, -z+2, x-1/2', '-y+5/2, x, -z+3/2', '-x+5/2, -z+2, y-1/2', 'z+1/2, y, x-1/2', '-x+5/2, -y+5/2, z', 'z+1/2, -x+5/2, -y+2', '-y+5/2, z+1/2, -x+2', '-y+5/2, -x+5/2, z', '-x+5/2, z+1/2, -y+2', 'z+1/2, -y+5/2, -x+2']], [['x, y, z', 'z, x, y', 'y, z, x', 'y, x, z', 'x, z, y', 'z, y, x', 'x, -y+1/2, -z+1/2', 'z, -x+1/2, -y+1/2', 'y, -z+1/2, -x+1/2', 'y, -x+1/2, -z+1/2', 'x, -z+1/2, -y+1/2', 'z, -y+1/2, -x+1/2', '-x+1/2, y, -z+1/2', '-z+1/2, x, -y+1/2', '-y+1/2, z, -x+1/2', '-y+1/2, x, -z+1/2', '-x+1/2, z, -y+1/2', '-z+1/2, y, -x+1/2', '-x+1/2, -y+1/2, z', '-z+1/2, -x+1/2, y', '-y+1/2, -z+1/2, x', '-y+1/2, -x+1/2, z', '-x+1/2, -z+1/2, y', '-z+1/2, -y+1/2, x'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1', '-y+1, -x+1, z', 'x, z, y', '-z+1, y, -x+1', 'x, -y+3/2, -z+3/2', '-z+1, x+1/2, -y+3/2', '-y+1, -z+3/2, x+1/2', '-y+1, x+1/2, -z+3/2', 'x, -z+3/2, -y+3/2', '-z+1, -y+3/2, x+1/2', '-x+1/2, y, -z+3/2', 'z-1/2, -x+1, -y+3/2', 'y-1/2, z, x+1/2', 'y-1/2, -x+1, -z+3/2', '-x+1/2, z, -y+3/2', 'z-1/2, y, x+1/2', '-x+1/2, -y+3/2, z', 'z-1/2, x+1/2, y', 'y-1/2, -z+3/2, -x+1', 'y-1/2, x+1/2, z', '-x+1/2, -z+3/2, y', 'z-1/2, -y+3/2, -x+1'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x', '-y+1, -x+1, z', 'x, -z+1, -y+1', 'z, y, x', 'x, -y+1/2, -z+3/2', 'z, x-1/2, y+1/2', '-y+1, z-1/2, -x+3/2', '-y+1, x-1/2, -z+3/2', 'x, z-1/2, y+1/2', 'z, -y+1/2, -x+3/2', '-x+3/2, y, -z+3/2', '-z+3/2, -x+1, y+1/2', 'y+1/2, -z+1, -x+3/2', 'y+1/2, -x+1, -z+3/2', '-x+3/2, -z+1, y+1/2', '-z+3/2, y, -x+3/2', '-x+3/2, -y+1/2, z', '-z+3/2, x-1/2, -y+1', 'y+1/2, z-1/2, x', 'y+1/2, x-1/2, z', '-x+3/2, z-1/2, -y+1', '-z+3/2, -y+1/2, x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', 'y, x, z', 'x, -z+1, -y+1', '-z+1, y, -x+1', 'x, -y+3/2, -z+1/2', '-z+1, -x+3/2, y-1/2', 'y, z+1/2, x-1/2', 'y, -x+3/2, -z+1/2', 'x, z+1/2, y-1/2', '-z+1, -y+3/2, x-1/2', '-x+3/2, y, -z+1/2', 'z+1/2, x, y-1/2', '-y+3/2, -z+1, x-1/2', '-y+3/2, x, -z+1/2', '-x+3/2, -z+1, y-1/2', 'z+1/2, y, x-1/2', '-x+3/2, -y+3/2, z', 'z+1/2, -x+3/2, -y+1', '-y+3/2, z+1/2, -x+1', '-y+3/2, -x+3/2, z', '-x+3/2, z+1/2, -y+1', 'z+1/2, -y+3/2, -x+1']], [['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x', 'y, x, z', '-y+1, -x+1, z', 'y, -x+1, -z+1', '-y+1, x, -z+1', 'x, z, y', '-x+1, z, -y+1', '-x+1, -z+1, y', 'x, -z+1, -y+1', 'z, y, x', 'z, -y+1, -x+1', '-z+1, y, -x+1', '-z+1, -y+1, x'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+2', 'x, -y+2, -z+2', 'x, z, y', '-x+1, z, -y+2', '-x+1, -z+2, y', 'x, -z+2, -y+2', 'y-1/2, z, x+1/2', '-y+3/2, z, -x+3/2', 'y-1/2, -z+2, -x+3/2', '-y+3/2, -z+2, x+1/2', 'z-1/2, y, x+1/2', 'z-1/2, -y+2, -x+3/2', '-z+3/2, y, -x+3/2', '-z+3/2, -y+2, x+1/2', 'z-1/2, x+1/2, y', 'z-1/2, -x+3/2, -y+2', '-z+3/2, -x+3/2, y', '-z+3/2, x+1/2, -y+2', 'y-1/2, x+1/2, z', '-y+3/2, -x+3/2, z', 'y-1/2, -x+3/2, -z+2', '-y+3/2, x+1/2, -z+2'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+2', 'x, -y+1, -z+2', 'z, y, x', 'z, -y+1, -x+2', '-z+2, y, -x+2', '-z+2, -y+1, x', 'z, x-1/2, y+1/2', 'z, -x+3/2, -y+3/2', '-z+2, -x+3/2, y+1/2', '-z+2, x-1/2, -y+3/2', 'x, z-1/2, y+1/2', '-x+2, z-1/2, -y+3/2', '-x+2, -z+3/2, y+1/2', 'x, -z+3/2, -y+3/2', 'y+1/2, z-1/2, x', '-y+3/2, z-1/2, -x+2', 'y+1/2, -z+3/2, -x+2', '-y+3/2, -z+3/2, x', 'y+1/2, x-1/2, z', '-y+3/2, -x+3/2, z', 'y+1/2, -x+3/2, -z+2', '-y+3/2, x-1/2, -z+2'], ['x, y, z', '-x+2, -y+2, z', '-x+2, y, -z+1', 'x, -y+2, -z+1', 'y, x, z', '-y+2, -x+2, z', 'y, -x+2, -z+1', '-y+2, x, -z+1', 'y, z+1/2, x-1/2', '-y+2, z+1/2, -x+3/2', 'y, -z+3/2, -x+3/2', '-y+2, -z+3/2, x-1/2', 'x, z+1/2, y-1/2', '-x+2, z+1/2, -y+3/2', '-x+2, -z+3/2, y-1/2', 'x, -z+3/2, -y+3/2', 'z+1/2, x, y-1/2', 'z+1/2, -x+2, -y+3/2', '-z+3/2, -x+2, y-1/2', '-z+3/2, x, -y+3/2', 'z+1/2, y, x-1/2', 'z+1/2, -y+2, -x+3/2', '-z+3/2, y, -x+3/2', '-z+3/2, -y+2, x-1/2']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, z', '-y, -x, z', 'y, -x, -z', '-y, x, -z', 'x, z, y', '-x, z, -y', '-x, -z, y', 'x, -z, -y', 'z, y, x', 'z, -y, -x', '-z, y, -x', '-z, -y, x'], ['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', 'x, z, y', '-x, z, -y+1', '-x, -z+1, y', 'x, -z+1, -y+1', 'y-1/2, z, x+1/2', '-y+1/2, z, -x+1/2', 'y-1/2, -z+1, -x+1/2', '-y+1/2, -z+1, x+1/2', 'z-1/2, y, x+1/2', 'z-1/2, -y+1, -x+1/2', '-z+1/2, y, -x+1/2', '-z+1/2, -y+1, x+1/2', 'z-1/2, x+1/2, y', 'z-1/2, -x+1/2, -y+1', '-z+1/2, -x+1/2, y', '-z+1/2, x+1/2, -y+1', 'y-1/2, x+1/2, z', '-y+1/2, -x+1/2, z', 'y-1/2, -x+1/2, -z+1', '-y+1/2, x+1/2, -z+1'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', 'z, y, x', 'z, -y, -x+1', '-z+1, y, -x+1', '-z+1, -y, x', 'z, x-1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z+1, -x+1/2, y+1/2', '-z+1, x-1/2, -y+1/2', 'x, z-1/2, y+1/2', '-x+1, z-1/2, -y+1/2', '-x+1, -z+1/2, y+1/2', 'x, -z+1/2, -y+1/2', 'y+1/2, z-1/2, x', '-y+1/2, z-1/2, -x+1', 'y+1/2, -z+1/2, -x+1', '-y+1/2, -z+1/2, x', 'y+1/2, x-1/2, z', '-y+1/2, -x+1/2, z', 'y+1/2, -x+1/2, -z+1', '-y+1/2, x-1/2, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', 'y, x, z', '-y+1, -x+1, z', 'y, -x+1, -z', '-y+1, x, -z', 'y, z+1/2, x-1/2', '-y+1, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y+1, -z+1/2, x-1/2', 'x, z+1/2, y-1/2', '-x+1, z+1/2, -y+1/2', '-x+1, -z+1/2, y-1/2', 'x, -z+1/2, -y+1/2', 'z+1/2, x, y-1/2', 'z+1/2, -x+1, -y+1/2', '-z+1/2, -x+1, y-1/2', '-z+1/2, x, -y+1/2', 'z+1/2, y, x-1/2', 'z+1/2, -y+1, -x+1/2', '-z+1/2, y, -x+1/2', '-z+1/2, -y+1, x-1/2']]]\"\n217,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', 'x, z, y'], ['x, y, z', 'x, z, y'], ['x, y, z', 'x, -z, -y'], ['x, y, z', 'x, -z, -y'], ['x, y, z', 'z, y, x'], ['x, y, z', 'z, y, x'], ['x, y, z', '-z, y, -x'], ['x, y, z', '-z, y, -x'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', '-y+1, -x+1, z'], ['x, y, z', 'x, z, y'], ['x, y, z', 'x, z, y'], ['x, y, z', 'x, -z+1, -y+1'], ['x, y, z', 'x, -z+1, -y+1'], ['x, y, z', 'z, y, x'], ['x, y, z', 'z, y, x'], ['x, y, z', '-z+1, y, -x+1'], ['x, y, z', '-z+1, y, -x+1']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', 'x, -y+2, -z+1'], ['x, y, z', 'x, -y+2, -z+1'], ['x, y, z', '-x+1, y, -z+2'], ['x, y, z', '-x+1, y, -z+2'], ['x, y, z', '-x+2, -y+1, z'], ['x, y, z', '-x+2, -y+1, z'], ['x, y, z', '-x+2, y, -z+1'], ['x, y, z', '-x+2, y, -z+1'], ['x, y, z', 'x, -y+1, -z+2'], ['x, y, z', 'x, -y+1, -z+2'], ['x, y, z', '-x+1, -y+2, z'], ['x, y, z', '-x+1, -y+2, z']], [['x, y, z', 'x, -y, -z', 'x, z, y', 'x, -z, -y'], ['x, y, z', 'x, -y, -z', 'x, z, y', 'x, -z, -y'], ['x, y, z', '-x, y, -z', 'z, y, x', '-z, y, -x'], ['x, y, z', '-x, y, -z', 'z, y, x', '-z, y, -x'], ['x, y, z', '-x, -y, z', 'y, x, z', '-y, -x, z'], ['x, y, z', '-x, -y, z', 'y, x, z', '-y, -x, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, z, y', 'x, -z+1, -y+1'], ['x, y, z', 'x, -y+1, -z+1', 'x, z, y', 'x, -z+1, -y+1'], ['x, y, z', '-x+1, y, -z+1', 'z, y, x', '-z+1, y, -x+1'], ['x, y, z', '-x+1, y, -z+1', 'z, y, x', '-z+1, y, -x+1'], ['x, y, z', '-x+1, -y+1, z', 'y, x, z', '-y+1, -x+1, z'], ['x, y, z', '-x+1, -y+1, z', 'y, x, z', '-y+1, -x+1, z']], [['x, y, z', 'x, -y+1, -z', '-x+1/2, z+1/2, -y+1/2', '-x+1/2, -z+1/2, y-1/2'], ['x, y, z', 'x, -y+1, -z', '-x+3/2, z+1/2, -y+1/2', '-x+3/2, -z+1/2, y-1/2'], ['x, y, z', '-x, y, -z+1', 'z-1/2, -y+1/2, -x+1/2', '-z+1/2, -y+1/2, x+1/2'], ['x, y, z', '-x, y, -z+1', 'z-1/2, -y+3/2, -x+1/2', '-z+1/2, -y+3/2, x+1/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x-1/2, -z+1/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, -x+1/2, -z+3/2', '-y+1/2, x-1/2, -z+3/2'], ['x, y, z', 'x, -y+2, -z+1', '-x+3/2, z+1/2, -y+3/2', '-x+3/2, -z+3/2, y-1/2'], ['x, y, z', 'x, -y+2, -z+1', '-x+5/2, z+1/2, -y+3/2', '-x+5/2, -z+3/2, y-1/2'], ['x, y, z', '-x+1, y, -z+2', 'z-1/2, -y+3/2, -x+3/2', '-z+3/2, -y+3/2, x+1/2'], ['x, y, z', '-x+1, y, -z+2', 'z-1/2, -y+5/2, -x+3/2', '-z+3/2, -y+5/2, x+1/2'], ['x, y, z', '-x+2, -y+1, z', 'y+1/2, -x+3/2, -z+3/2', '-y+3/2, x-1/2, -z+3/2'], ['x, y, z', '-x+2, -y+1, z', 'y+1/2, -x+3/2, -z+5/2', '-y+3/2, x-1/2, -z+5/2']], [['x, y, z', 'z, x, y', 'y, z, x', 'y, x, z', 'x, z, y', 'z, y, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x', 'y, x, z', 'x, -z, -y', '-z, y, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x', '-y, -x, z', 'x, -z, -y', 'z, y, x'], ['x, y, z', '-z, -x, y', '-y, z, -x', '-y, -x, z', 'x, z, y', '-z, y, -x'], ['x, y, z', 'z, x, y', 'y, z, x', 'y, x, z', 'x, z, y', 'z, y, x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', 'y, x, z', 'x, -z+1, -y+1', '-z+1, y, -x+1'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x', '-y+1, -x+1, z', 'x, -z+1, -y+1', 'z, y, x'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1', '-y+1, -x+1, z', 'x, z, y', '-z+1, y, -x+1']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', 'x, z, y', '-x, z, -y+1', '-x, -z+1, y', 'x, -z+1, -y+1'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', 'z, y, x', 'z, -y, -x+1', '-z+1, y, -x+1', '-z+1, -y, x'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', 'y, x, z', '-y+1, -x+1, z', 'y, -x+1, -z', '-y+1, x, -z'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+2', 'x, -y+2, -z+2', 'x, z, y', '-x+1, z, -y+2', '-x+1, -z+2, y', 'x, -z+2, -y+2'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+2', 'x, -y+1, -z+2', 'z, y, x', 'z, -y+1, -x+2', '-z+2, y, -x+2', '-z+2, -y+1, x'], ['x, y, z', '-x+2, -y+2, z', '-x+2, y, -z+1', 'x, -y+2, -z+1', 'y, x, z', '-y+2, -x+2, z', 'y, -x+2, -z+1', '-y+2, x, -z+1']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, z', '-y, -x, z', 'y, -x, -z', '-y, x, -z', 'x, z, y', '-x, z, -y', '-x, -z, y', 'x, -z, -y', 'z, y, x', 'z, -y, -x', '-z, y, -x', '-z, -y, x'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x', 'y, x, z', '-y+1, -x+1, z', 'y, -x+1, -z+1', '-y+1, x, -z+1', 'x, z, y', '-x+1, z, -y+1', '-x+1, -z+1, y', 'x, -z+1, -y+1', 'z, y, x', 'z, -y+1, -x+1', '-z+1, y, -x+1', '-z+1, -y+1, x']]]\"\n218,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', '-x+1, y, -z'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', 'x, -y, -z+1'], ['x, y, z', '-x, -y+1, z'], ['x, y, z', '-x, -y+1, z']], [['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', '-x, y, -z+1'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', 'x, -y+1, -z'], ['x, y, z', '-x+1, -y, z'], ['x, y, z', '-x+1, -y, z']], [['x, y, z', 'x, -y, -z'], ['x, y, z', 'x, -y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, y, -z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x, -y, z'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', '-x+1, y, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', 'x, -y+1, -z+1'], ['x, y, z', '-x+1, -y+1, z'], ['x, y, z', '-x+1, -y+1, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x']], [['x, y, z', 'x, -y, -z+1', '-x+1/2, z-1/2, -y+1/2', '-x+1/2, -z+1/2, y+1/2'], ['x, y, z', 'x, -y, -z+1', '-x+3/2, z-1/2, -y+1/2', '-x+3/2, -z+1/2, y+1/2'], ['x, y, z', '-x+1, y, -z', 'z+1/2, -y+1/2, -x+1/2', '-z+1/2, -y+1/2, x-1/2'], ['x, y, z', '-x+1, y, -z', 'z+1/2, -y+3/2, -x+1/2', '-z+1/2, -y+3/2, x-1/2'], ['x, y, z', '-x, -y+1, z', 'y-1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2'], ['x, y, z', '-x, -y+1, z', 'y-1/2, -x+1/2, -z+3/2', '-y+1/2, x+1/2, -z+3/2']], [['x, y, z', 'x, -y+1, -z', '-x+1/2, z+1/2, -y+1/2', '-x+1/2, -z+1/2, y-1/2'], ['x, y, z', 'x, -y+1, -z', '-x+3/2, z+1/2, -y+1/2', '-x+3/2, -z+1/2, y-1/2'], ['x, y, z', '-x, y, -z+1', 'z-1/2, -y+1/2, -x+1/2', '-z+1/2, -y+1/2, x+1/2'], ['x, y, z', '-x, y, -z+1', 'z-1/2, -y+3/2, -x+1/2', '-z+1/2, -y+3/2, x+1/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, -x+1/2, -z+1/2', '-y+1/2, x-1/2, -z+1/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, -x+1/2, -z+3/2', '-y+1/2, x-1/2, -z+3/2']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z'], ['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z'], ['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x']]]\"\n219,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y+1/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+1/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', 'x, -y+5/2, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+5/2'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', '-x+3/2, y, -z+5/2'], ['x, y, z', '-x+1/2, y, -z+5/2'], ['x, y, z', 'x, -y+5/2, -z+5/2'], ['x, y, z', 'x, -y+5/2, -z+3/2'], ['x, y, z', '-x+3/2, -y+5/2, z'], ['x, y, z', '-x+3/2, -y+3/2, z'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+5/2'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, 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z'], ['x, y, z', '-x+2, -y+2, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x'], ['x, y, z', 'y-1/2, z, x+1/2', 'z-1/2, x+1/2, y'], ['x, y, z', 'y-1/2, -z+1, -x+1/2', '-z+1/2, x+1/2, -y+1'], ['x, y, z', '-y+1/2, -z+1, x+1/2', 'z-1/2, -x+1/2, -y+1'], ['x, y, z', '-y+1/2, z, -x+1/2', '-z+1/2, -x+1/2, y'], ['x, y, z', 'y-1/2, z, x+1/2', 'z-1/2, x+1/2, y'], ['x, y, z', 'y-1/2, -z+2, -x+3/2', '-z+3/2, x+1/2, -y+2'], ['x, y, z', '-y+3/2, z, -x+3/2', '-z+3/2, -x+3/2, y'], ['x, y, z', '-y+3/2, -z+2, x+1/2', 'z-1/2, -x+3/2, -y+2'], ['x, y, z', 'z, x-1/2, y+1/2', 'y+1/2, z-1/2, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z, -x+1/2, -y+1/2', '-y+1/2, -z+1/2, x'], ['x, y, z', '-z+1, 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x, -z+1/2'], ['x, y, z', '-x, -y, z', 'y, -x, -z+3/2', '-y, x, -z+3/2'], ['x, y, z', 'x, -y+1, -z+1', '-x+1/2, z, -y+1', '-x+1/2, -z+1, y'], ['x, y, z', 'x, -y+1, -z+1', '-x+3/2, z, -y+1', '-x+3/2, -z+1, y'], ['x, y, z', '-x, y, -z+1', 'z-1/2, -y+3/2, -x+1/2', '-z+1/2, -y+3/2, x+1/2'], ['x, y, z', '-x, y, -z+1', 'z-1/2, -y+5/2, -x+1/2', '-z+1/2, -y+5/2, x+1/2'], ['x, y, z', '-x, -y+1, z', 'y-1/2, -x+1/2, -z+3/2', '-y+1/2, x+1/2, -z+3/2'], ['x, y, z', '-x, -y+1, z', 'y-1/2, -x+1/2, -z+5/2', '-y+1/2, x+1/2, -z+5/2'], ['x, y, z', 'x, -y, -z+1', '-x+3/2, z-1/2, -y+1/2', '-x+3/2, -z+1/2, y+1/2'], ['x, y, z', 'x, -y, -z+1', '-x+5/2, z-1/2, -y+1/2', '-x+5/2, -z+1/2, y+1/2'], ['x, y, z', '-x+1, y, -z+1', 'z, -y+1/2, -x+1', '-z+1, -y+1/2, x'], ['x, y, z', '-x+1, y, -z+1', 'z, -y+3/2, -x+1', '-z+1, -y+3/2, x'], ['x, y, z', '-x+1, -y, z', 'y+1/2, -x+1/2, -z+3/2', '-y+1/2, x-1/2, -z+3/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, -x+1/2, -z+5/2', '-y+1/2, x-1/2, -z+5/2'], ['x, y, z', 'x, -y+1, -z', '-x+3/2, z+1/2, -y+1/2', '-x+3/2, -z+1/2, y-1/2'], ['x, y, z', 'x, -y+1, -z', '-x+5/2, z+1/2, -y+1/2', '-x+5/2, -z+1/2, y-1/2'], ['x, y, z', '-x+1, y, -z', 'z+1/2, -y+3/2, -x+1/2', '-z+1/2, -y+3/2, x-1/2'], ['x, y, z', '-x+1, y, -z', 'z+1/2, -y+5/2, -x+1/2', '-z+1/2, -y+5/2, x-1/2'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+1/2', '-y+1, x, -z+1/2'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, -z+3/2', '-y+1, x, -z+3/2']], [['x, y, z', 'x, -y+1/2, -z+1/2', '-x, -z+1/2, y', '-x, z, -y+1/2'], ['x, y, z', 'x, -y+3/2, -z+1/2', '-x, z+1/2, -y+1', '-x, -z+1, y-1/2'], ['x, y, z', '-z+1/2, -y, x', '-x+1/2, y, -z+1/2', 'z, -y, -x+1/2'], ['x, y, z', 'z-1/2, -y, -x+1', '-x+1/2, y, -z+3/2', '-z+1, -y, x+1/2'], ['x, y, z', '-y+1/2, x, -z', 'y, -x+1/2, -z', '-x+1/2, -y+1/2, z'], ['x, y, z', 'y+1/2, -x+1, -z', '-y+1, x-1/2, -z', '-x+3/2, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, -z+3/2', '-x, -z+3/2, y', '-x, z, -y+3/2'], ['x, y, z', 'x, -y+5/2, -z+3/2', '-x, z+1/2, -y+2', '-x, -z+2, y-1/2'], ['x, y, z', 'z-1/2, -y+1, -x+1', '-x+1/2, y, -z+3/2', '-z+1, -y+1, x+1/2'], ['x, y, z', '-z+3/2, -y+1, x+1', '-x+1/2, y, -z+5/2', 'z-1, -y+1, -x+3/2'], ['x, y, z', 'y-1/2, -x+1, -z+1', '-y+1, x+1/2, -z+1', '-x+1/2, -y+3/2, z'], ['x, y, z', '-y+3/2, x, -z+1', 'y, -x+3/2, -z+1', '-x+3/2, -y+3/2, z'], ['x, y, z', 'x, -y+1/2, -z+3/2', '-x+1, z-1/2, -y+1', '-x+1, -z+1, y+1/2'], ['x, y, z', 'x, -y+3/2, -z+3/2', '-x+1, -z+3/2, y', '-x+1, z, -y+3/2'], ['x, y, z', '-z+3/2, -y, x', '-x+3/2, y, -z+3/2', 'z, -y, -x+3/2'], ['x, y, z', 'z-1/2, -y, -x+2', '-x+3/2, y, -z+5/2', '-z+2, -y, x+1/2'], ['x, y, z', 'y+1/2, -x+1, -z+1', '-y+1, x-1/2, -z+1', '-x+3/2, -y+1/2, z'], ['x, y, z', '-y+3/2, x-1, -z+1', 'y+1, -x+3/2, -z+1', '-x+5/2, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, -z+1/2', '-x+1, z+1/2, -y+1', '-x+1, -z+1, y-1/2'], ['x, y, z', 'x, -y+5/2, -z+1/2', '-x+1, -z+3/2, y-1', '-x+1, z+1, -y+3/2'], ['x, y, z', 'z+1/2, -y+1, -x+1', '-x+3/2, y, -z+1/2', '-z+1, -y+1, x-1/2'], ['x, y, z', '-z+3/2, -y+1, x', '-x+3/2, y, -z+3/2', 'z, -y+1, -x+3/2'], ['x, y, z', '-y+3/2, x, -z', 'y, -x+3/2, -z', '-x+3/2, -y+3/2, z'], ['x, y, z', 'y+1/2, -x+2, -z', '-y+2, x-1/2, -z', '-x+5/2, -y+3/2, z']], [['x, y, z', 'z, x, y', 'y, z, x', 'x, -y+1/2, -z+1/2', 'z, -x+1/2, -y+1/2', 'y, -z+1/2, -x+1/2', '-x+1/2, y, -z+1/2', '-z+1/2, x, -y+1/2', '-y+1/2, z, -x+1/2', '-x+1/2, -y+1/2, z', '-z+1/2, -x+1/2, y', '-y+1/2, -z+1/2, x'], ['x, y, z', 'z, x, y', 'y, z, x', 'x, -y+3/2, -z+3/2', 'z, -x+3/2, -y+3/2', 'y, -z+3/2, -x+3/2', '-x+3/2, y, -z+3/2', '-z+3/2, x, -y+3/2', '-y+3/2, z, -x+3/2', '-x+3/2, -y+3/2, z', '-z+3/2, -x+3/2, y', '-y+3/2, -z+3/2, x'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1', 'x, -y+3/2, -z+3/2', '-z+1, x+1/2, -y+3/2', '-y+1, -z+3/2, x+1/2', '-x+1/2, y, -z+3/2', 'z-1/2, -x+1, -y+3/2', 'y-1/2, z, x+1/2', '-x+1/2, -y+3/2, z', 'z-1/2, x+1/2, y', 'y-1/2, -z+3/2, -x+1'], ['x, y, z', '-z+2, -x+2, y', '-y+2, z, -x+2', 'x, -y+5/2, -z+5/2', '-z+2, x+1/2, -y+5/2', '-y+2, -z+5/2, x+1/2', '-x+3/2, y, -z+5/2', 'z-1/2, -x+2, -y+5/2', 'y-1/2, z, x+1/2', '-x+3/2, -y+5/2, z', 'z-1/2, x+1/2, y', 'y-1/2, -z+5/2, -x+2'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x', 'x, -y+1/2, -z+3/2', 'z, x-1/2, y+1/2', '-y+1, z-1/2, -x+3/2', '-x+3/2, y, -z+3/2', '-z+3/2, -x+1, y+1/2', 'y+1/2, -z+1, -x+3/2', '-x+3/2, -y+1/2, z', '-z+3/2, x-1/2, -y+1', 'y+1/2, z-1/2, x'], ['x, y, z', 'z, -x+2, -y+2', '-y+2, -z+2, x', 'x, -y+3/2, -z+5/2', 'z, x-1/2, y+1/2', '-y+2, z-1/2, -x+5/2', '-x+5/2, y, -z+5/2', '-z+5/2, -x+2, y+1/2', 'y+1/2, -z+2, -x+5/2', '-x+5/2, -y+3/2, z', '-z+5/2, x-1/2, -y+2', 'y+1/2, z-1/2, x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', 'x, -y+3/2, -z+1/2', '-z+1, -x+3/2, y-1/2', 'y, z+1/2, x-1/2', '-x+3/2, y, -z+1/2', 'z+1/2, x, y-1/2', '-y+3/2, -z+1, x-1/2', '-x+3/2, -y+3/2, z', 'z+1/2, -x+3/2, -y+1', '-y+3/2, z+1/2, -x+1'], ['x, y, z', '-z+2, x, -y+2', 'y, -z+2, -x+2', 'x, -y+5/2, -z+3/2', '-z+2, -x+5/2, y-1/2', 'y, z+1/2, x-1/2', '-x+5/2, y, -z+3/2', 'z+1/2, x, y-1/2', '-y+5/2, -z+2, x-1/2', '-x+5/2, -y+5/2, z', 'z+1/2, -x+5/2, -y+2', '-y+5/2, z+1/2, -x+2']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x'], ['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', 'y-1/2, z, x+1/2', '-y+1/2, z, -x+1/2', 'y-1/2, -z+1, -x+1/2', '-y+1/2, -z+1, x+1/2', 'z-1/2, x+1/2, y', 'z-1/2, -x+1/2, -y+1', '-z+1/2, -x+1/2, y', '-z+1/2, x+1/2, -y+1'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+2', 'x, -y+2, -z+2', 'y-1/2, z, x+1/2', '-y+3/2, z, -x+3/2', 'y-1/2, -z+2, -x+3/2', '-y+3/2, -z+2, x+1/2', 'z-1/2, x+1/2, y', 'z-1/2, -x+3/2, -y+2', '-z+3/2, -x+3/2, y', '-z+3/2, x+1/2, -y+2'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', 'z, x-1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z+1, -x+1/2, y+1/2', '-z+1, x-1/2, -y+1/2', 'y+1/2, z-1/2, x', '-y+1/2, z-1/2, -x+1', 'y+1/2, -z+1/2, -x+1', '-y+1/2, -z+1/2, x'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+2', 'x, -y+1, -z+2', 'z, x-1/2, y+1/2', 'z, -x+3/2, -y+3/2', '-z+2, -x+3/2, y+1/2', '-z+2, x-1/2, -y+3/2', 'y+1/2, z-1/2, x', '-y+3/2, z-1/2, -x+2', 'y+1/2, -z+3/2, -x+2', '-y+3/2, -z+3/2, x'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', 'y, z+1/2, x-1/2', '-y+1, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y+1, -z+1/2, x-1/2', 'z+1/2, x, y-1/2', 'z+1/2, -x+1, -y+1/2', '-z+1/2, -x+1, y-1/2', '-z+1/2, x, -y+1/2'], ['x, y, z', '-x+2, -y+2, z', '-x+2, y, -z+1', 'x, -y+2, -z+1', 'y, z+1/2, x-1/2', '-y+2, z+1/2, -x+3/2', 'y, -z+3/2, -x+3/2', '-y+2, -z+3/2, x-1/2', 'z+1/2, x, y-1/2', 'z+1/2, -x+2, -y+3/2', '-z+3/2, -x+2, y-1/2', '-z+3/2, x, -y+3/2']]]\"\n220,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x, -y+1/2, z'], ['x, y, z', '-x, -y+3/2, z'], ['x, y, z', '-x+1/2, y, -z+1'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', 'x, -y+1, -z+1/2'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', '-x+1, -y+1/2, z'], ['x, y, z', '-x, -y+1/2, z'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, -z+5/2'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+5/2, y, -z+1'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x+1, -y+5/2, z'], ['x, y, z', '-x+3/2, y, -z+2'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', 'x, -y+2, -z+3/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', '-x+2, -y+3/2, z'], ['x, y, z', '-x+1, -y+3/2, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x+1/2, -y+3/2', 'y-1/2, -z+3/2, -x+1'], ['x, y, z', '-z+3/2, -x+1, y+1/2', '-y+1, z-1/2, -x+3/2'], ['x, y, z', 'z+1/2, -x+3/2, -y+1', '-y+3/2, -z+1, x-1/2'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+2, x-1/2, -y+3/2', 'y+1/2, -z+3/2, -x+2'], ['x, y, z', 'z-1/2, -x+3/2, -y+2', '-y+3/2, -z+2, x+1/2'], ['x, y, z', '-z+3/2, -x+2, y-1/2', '-y+2, z+1/2, -x+3/2'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+2, x+1/2, -y+5/2', 'y-1/2, -z+5/2, -x+2'], ['x, y, z', '-z+5/2, -x+2, y+1/2', '-y+2, z-1/2, -x+5/2'], ['x, y, z', 'z+1/2, -x+5/2, -y+2', '-y+5/2, -z+2, x-1/2']], [['x, y, z', '-x+7/4, z-1/4, -y+1/4', 'x, -y, -z+1/2', '-x+7/4, -z+1/4, y+1/4'], ['x, y, z', '-x+5/4, -z+3/4, y+3/4', 'x, -y, -z+3/2', '-x+5/4, z-3/4, -y+3/4'], ['x, y, z', '-z+1/4, -y+7/4, x-1/4', '-x+1/2, y, -z', 'z+1/4, -y+7/4, -x+1/4'], ['x, y, z', 'z+3/4, -y+5/4, -x+3/4', '-x+3/2, y, -z', '-z+3/4, -y+5/4, x-3/4'], ['x, y, z', 'y-1/4, -x+1/4, -z+7/4', '-x, -y+1/2, z', '-y+1/4, x+1/4, -z+7/4'], ['x, y, z', '-y+3/4, x+3/4, -z+5/4', '-x, -y+3/2, z', 'y-3/4, -x+3/4, -z+5/4'], ['x, y, z', '-x+11/4, z-1/4, -y+5/4', 'x, -y+1, -z+3/2', '-x+11/4, -z+5/4, y+1/4'], ['x, y, z', '-x+9/4, -z+7/4, y+3/4', 'x, -y+1, -z+5/2', '-x+9/4, z-3/4, -y+7/4'], ['x, y, z', '-z+5/4, -y+11/4, x-1/4', '-x+3/2, y, -z+1', 'z+1/4, -y+11/4, -x+5/4'], ['x, y, z', 'z+3/4, -y+9/4, -x+7/4', '-x+5/2, y, -z+1', '-z+7/4, -y+9/4, x-3/4'], ['x, y, z', 'y-1/4, -x+5/4, -z+11/4', '-x+1, -y+3/2, z', '-y+5/4, x+1/4, -z+11/4'], ['x, y, z', '-y+7/4, x+3/4, -z+9/4', '-x+1, -y+5/2, z', 'y-3/4, -x+7/4, -z+9/4']], [['x, y, z', '-x+3/4, z-1/4, -y+1/4', 'x, -y, -z+1/2', '-x+3/4, -z+1/4, y+1/4'], ['x, y, z', '-x+1/4, -z+3/4, y+3/4', 'x, -y, -z+3/2', '-x+1/4, z-3/4, -y+3/4'], ['x, y, z', '-z+1/4, -y+3/4, x-1/4', '-x+1/2, y, -z', 'z+1/4, -y+3/4, -x+1/4'], ['x, y, z', 'z+3/4, -y+1/4, -x+3/4', '-x+3/2, y, -z', '-z+3/4, -y+1/4, x-3/4'], ['x, y, z', 'y-1/4, -x+1/4, -z+3/4', '-x, -y+1/2, z', '-y+1/4, x+1/4, -z+3/4'], ['x, y, z', '-y+3/4, x+3/4, -z+1/4', '-x, -y+3/2, z', 'y-3/4, -x+3/4, -z+1/4'], ['x, y, z', '-x+7/4, z-1/4, -y+5/4', 'x, -y+1, -z+3/2', '-x+7/4, -z+5/4, y+1/4'], ['x, y, z', '-x+5/4, -z+7/4, y+3/4', 'x, -y+1, -z+5/2', '-x+5/4, z-3/4, -y+7/4'], ['x, y, z', '-z+5/4, -y+7/4, x-1/4', '-x+3/2, y, -z+1', 'z+1/4, -y+7/4, -x+5/4'], ['x, y, z', 'z+3/4, -y+5/4, -x+7/4', '-x+5/2, y, -z+1', '-z+7/4, -y+5/4, x-3/4'], ['x, y, z', 'y-1/4, -x+5/4, -z+7/4', '-x+1, -y+3/2, z', '-y+5/4, x+1/4, -z+7/4'], ['x, y, z', '-y+7/4, x+3/4, -z+5/4', '-x+1, -y+5/2, z', 'y-3/4, -x+7/4, -z+5/4']]]\"\n221,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', '-y, -x, z'], ['x, y, z', 'x, z, y'], ['x, y, z', 'x, z, y'], ['x, y, z', 'x, -z, -y'], ['x, y, z', 'x, -z, -y'], ['x, y, z', 'z, y, x'], ['x, y, z', 'z, y, x'], ['x, y, z', '-z, y, -x'], ['x, y, z', '-z, y, -x'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, 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y-1/2', '-x+1, z+1/2, -y+1'], ['x, y, z', '-x+1/2, y, -z+3/2', '-z+1, -y, x+1/2', 'z-1/2, -y, -x+1'], ['x, y, z', '-x+1/2, y, -z+3/2', '-z+1, -y+1, x+1/2', 'z-1/2, -y+1, -x+1'], ['x, y, z', '-x+3/2, -y+1/2, z', '-y+1, x-1/2, -z', 'y+1/2, -x+1, -z'], ['x, y, z', '-x+3/2, -y+1/2, z', '-y+1, x-1/2, -z+1', 'y+1/2, -x+1, -z+1'], ['x, y, z', '-x+3/2, y, -z+1/2', '-z+1, -y, x-1/2', 'z+1/2, -y, -x+1'], ['x, y, z', '-x+3/2, y, -z+1/2', '-z+1, -y+1, x-1/2', 'z+1/2, -y+1, -x+1'], ['x, y, z', 'x, -y+1/2, -z+3/2', '-x, -z+1, y+1/2', '-x, z-1/2, -y+1'], ['x, y, z', 'x, -y+1/2, -z+3/2', '-x+1, -z+1, y+1/2', '-x+1, z-1/2, -y+1'], ['x, y, z', '-x+1/2, -y+3/2, z', '-y+1, x+1/2, -z+1', 'y-1/2, -x+1, -z+1'], ['x, y, z', '-x+1/2, -y+3/2, z', '-y+1, x+1/2, -z', 'y-1/2, -x+1, -z']], [['x, y, z', 'z, x, y', 'y, z, x', '-x, -y, -z', '-z, -x, -y', '-y, -z, -x'], ['x, y, z', '-z+1/2, x, -y+1/2', 'y, -z+1/2, -x+1/2', '-x+1, -y+1, -z', 'z+1/2, -x+1, y-1/2', '-y+1, z+1/2, x-1/2'], ['x, y, z', 'z, -x+1/2, -y+1/2', '-y+1/2, -z+1/2, x', '-x+1, -y, -z+1', '-z+1, x-1/2, y+1/2', 'y+1/2, z-1/2, -x+1'], ['x, y, z', '-z+1/2, -x+1/2, y', '-y+1/2, z, -x+1/2', '-x, -y+1, -z+1', 'z-1/2, x+1/2, -y+1', 'y-1/2, -z+1, x+1/2'], ['x, y, z', '-z+1/2, x, -y+1/2', 'y, -z+1/2, -x+1/2', '-x, -y, -z+1', 'z-1/2, -x, y+1/2', '-y, z-1/2, x+1/2'], ['x, y, z', 'z, x, y', 'y, z, x', '-x+1, -y+1, -z+1', '-z+1, -x+1, -y+1', '-y+1, -z+1, -x+1'], ['x, y, z', 'z, -x+1/2, -y+1/2', '-y+1/2, -z+1/2, x', '-x, -y+1, -z', '-z, x+1/2, y-1/2', 'y-1/2, z+1/2, -x'], ['x, y, z', '-z+1/2, -x+1/2, y', '-y+1/2, z, -x+1/2', '-x+1, -y, -z', 'z+1/2, x-1/2, -y', 'y+1/2, -z, x-1/2']], [['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'x, z, -y+1/2', '-x+3/2, z, y', '-x+3/2, -z+1/2, -y+1/2', 'x, -z+1/2, y'], ['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z+1/2', 'x, -y+3/2, -z+1/2', 'z, y, -x+1/2', 'z, -y+3/2, x', '-z+1/2, y, x', '-z+1/2, -y+3/2, -x+1/2'], ['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+3/2', 'x, -y+1/2, -z+3/2', 'y, x, -z+3/2', '-y+1/2, -x+1/2, -z+3/2', 'y, -x+1/2, z', '-y+1/2, x, z'], ['x, y, z', '-x+1/2, -y+3/2, z', '-x+1/2, y, -z+3/2', 'x, -y+3/2, -z+3/2', 'x, z, -y+3/2', '-x+1/2, z, y', '-x+1/2, -z+3/2, -y+3/2', 'x, -z+3/2, y'], ['x, y, z', '-x+3/2, -y+1/2, z', '-x+3/2, y, -z+3/2', 'x, -y+1/2, -z+3/2', 'z, y, -x+3/2', 'z, -y+1/2, x', '-z+3/2, y, x', '-z+3/2, -y+1/2, -x+3/2'], ['x, y, z', '-x+3/2, -y+3/2, z', '-x+3/2, y, -z+1/2', 'x, -y+3/2, -z+1/2', 'y, x, -z+1/2', '-y+3/2, -x+3/2, -z+1/2', 'y, -x+3/2, z', '-y+3/2, x, z']], [['x, y, z', '-x+1/2, -y+1/2, z', '-x+1/2, y, -z+1/2', 'x, -y+1/2, -z+1/2', 'z, x, y', 'z, -x+1/2, -y+1/2', '-z+1/2, -x+1/2, y', '-z+1/2, x, -y+1/2', 'y, z, x', '-y+1/2, z, -x+1/2', 'y, -z+1/2, -x+1/2', '-y+1/2, -z+1/2, x', 'y, x, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', 'y, -x+1/2, z', '-y+1/2, x, z', 'x, z, -y+1/2', '-x+1/2, z, y', '-x+1/2, -z+1/2, -y+1/2', 'x, -z+1/2, y', 'z, y, -x+1/2', 'z, -y+1/2, x', '-z+1/2, y, x', '-z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-x+3/2, -y+3/2, z', '-x+3/2, y, -z+3/2', 'x, -y+3/2, -z+3/2', 'z, x, y', 'z, -x+3/2, -y+3/2', '-z+3/2, -x+3/2, y', '-z+3/2, x, -y+3/2', 'y, z, x', '-y+3/2, z, -x+3/2', 'y, -z+3/2, -x+3/2', '-y+3/2, -z+3/2, x', 'y, x, -z+3/2', '-y+3/2, -x+3/2, -z+3/2', 'y, -x+3/2, z', '-y+3/2, x, z', 'x, z, -y+3/2', '-x+3/2, z, y', '-x+3/2, -z+3/2, -y+3/2', 'x, -z+3/2, y', 'z, y, -x+3/2', 'z, -y+3/2, x', '-z+3/2, y, x', '-z+3/2, -y+3/2, -x+3/2']]]\"\n223,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', '-x, y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1']], [['x, y, z', '-x+1/2, z-1/2, y+1/2'], ['x, y, z', '-x+3/2, -z+1/2, -y+1/2'], ['x, y, z', '-x+3/2, -z+1/2, -y+1/2'], ['x, y, z', '-x+1/2, z-1/2, y+1/2'], ['x, y, z', 'z+1/2, -y+1/2, x-1/2'], ['x, y, z', '-z+1/2, -y+3/2, -x+1/2'], ['x, y, z', '-z+1/2, -y+3/2, -x+1/2'], ['x, y, z', 'z+1/2, -y+1/2, x-1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+1/2'], ['x, y, z', '-x+3/2, z-1/2, y+1/2'], ['x, y, z', '-x+1/2, -z+1/2, -y+1/2'], ['x, y, z', '-x+1/2, -z+1/2, -y+1/2'], ['x, y, z', '-x+3/2, z-1/2, y+1/2'], ['x, y, z', 'z+1/2, -y+3/2, x-1/2'], ['x, y, z', '-z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-z+1/2, -y+1/2, -x+1/2'], ['x, y, z', 'z+1/2, -y+3/2, x-1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1']], [['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z']], [['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z']], [['x, y, z', 'z, x, y', 'y, z, x', '-y+1/2, -x+1/2, -z+1/2', '-x+1/2, -z+1/2, -y+1/2', '-z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', '-y+3/2, -x+3/2, -z+1/2', '-x+3/2, z+1/2, y-1/2', 'z+1/2, -y+3/2, x-1/2'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x', 'y+1/2, x-1/2, -z+3/2', '-x+3/2, z-1/2, y+1/2', '-z+3/2, -y+1/2, -x+3/2'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1', 'y-1/2, x+1/2, -z+3/2', '-x+1/2, -z+3/2, -y+3/2', 'z-1/2, -y+3/2, x+1/2'], ['x, y, z', 'z, x, y', 'y, z, x', '-y+3/2, -x+3/2, -z+3/2', '-x+3/2, -z+3/2, -y+3/2', '-z+3/2, -y+3/2, -x+3/2'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', '-y+1/2, -x+1/2, -z+3/2', '-x+1/2, z-1/2, y+1/2', 'z-1/2, -y+1/2, x+1/2'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x', 'y-1/2, x+1/2, -z+1/2', '-x+1/2, z+1/2, y-1/2', '-z+1/2, -y+3/2, -x+1/2'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1', 'y+1/2, x-1/2, -z+1/2', '-x+3/2, -z+1/2, -y+1/2', 'z+1/2, -y+1/2, x-1/2']], [['x, y, z', 'x, -y+1, -z', '-x+1/2, z+1/2, y-1/2', '-x+1/2, -z+1/2, -y+1/2', 'x, y, -z', 'x, -y+1, z', '-x+1/2, -z+1/2, y-1/2', '-x+1/2, z+1/2, -y+1/2'], ['x, y, z', 'x, -y+1, -z', '-x+3/2, z+1/2, y-1/2', '-x+3/2, -z+1/2, -y+1/2', 'x, y, -z', 'x, -y+1, z', '-x+3/2, -z+1/2, y-1/2', '-x+3/2, z+1/2, -y+1/2'], ['x, y, z', '-x, y, -z+1', 'z-1/2, -y+1/2, x+1/2', '-z+1/2, -y+1/2, -x+1/2', 'x, y, -z+1', '-x, y, z', '-z+1/2, -y+1/2, x+1/2', 'z-1/2, -y+1/2, -x+1/2'], ['x, y, z', '-x, y, -z+1', 'z-1/2, -y+3/2, x+1/2', '-z+1/2, -y+3/2, -x+1/2', 'x, y, -z+1', '-x, y, z', '-z+1/2, -y+3/2, x+1/2', 'z-1/2, -y+3/2, -x+1/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', 'x, -y, z', '-x+1, y, z', '-y+1/2, x-1/2, -z+1/2', 'y+1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z+3/2', '-y+1/2, -x+1/2, -z+3/2', 'x, -y, z', '-x+1, y, z', '-y+1/2, x-1/2, -z+3/2', 'y+1/2, -x+1/2, -z+3/2']], [['x, y, z', 'x, -y, -z+1', '-x+1/2, z-1/2, y+1/2', '-x+1/2, -z+1/2, -y+1/2', 'x, y, -z+1', 'x, -y, z', '-x+1/2, -z+1/2, y+1/2', '-x+1/2, z-1/2, -y+1/2'], ['x, y, z', 'x, -y, -z+1', '-x+3/2, z-1/2, y+1/2', '-x+3/2, -z+1/2, -y+1/2', 'x, y, -z+1', 'x, -y, z', '-x+3/2, -z+1/2, y+1/2', '-x+3/2, z-1/2, -y+1/2'], ['x, y, z', '-x+1, y, -z', 'z+1/2, -y+1/2, x-1/2', '-z+1/2, -y+1/2, -x+1/2', 'x, y, -z', '-x+1, y, z', '-z+1/2, -y+1/2, x-1/2', 'z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-x+1, y, -z', 'z+1/2, -y+3/2, x-1/2', '-z+1/2, -y+3/2, -x+1/2', 'x, y, -z', '-x+1, y, z', '-z+1/2, -y+3/2, x-1/2', 'z+1/2, -y+3/2, -x+1/2'], ['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', 'x, -y+1, z', '-x, y, z', '-y+1/2, x+1/2, -z+1/2', 'y-1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z+3/2', '-y+1/2, -x+1/2, -z+3/2', 'x, -y+1, z', '-x, y, z', '-y+1/2, x+1/2, -z+3/2', 'y-1/2, -x+1/2, -z+3/2']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', '-x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', '-x+1, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', '-x+1, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x, -y+1, z', '-x, y, -z', 'x, -y+1, -z', '-x, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z', 'x, -y, -z', '-x+1, -y, -z', 'x, y, -z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x, -y, z', '-x, y, -z+1', 'x, -y, -z+1', '-x, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x, y, z']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', '-z, -x, -y', '-z, x, y', 'z, x, -y', 'z, -x, y', '-y, -z, -x', 'y, -z, x', '-y, z, x', 'y, z, -x'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x+1, y, z', '-z+1, -x+1, -y+1', '-z+1, x, y', 'z, x, -y+1', 'z, -x+1, y', '-y+1, -z+1, -x+1', 'y, -z+1, x', '-y+1, z, x', 'y, z, -x+1']]]\"\n224,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, z, y'], ['x, y, z', 'x, z, y'], ['x, y, z', 'x, -z+1/2, -y+1/2'], ['x, y, z', 'x, -z+1/2, -y+1/2'], ['x, y, z', 'z, y, x'], ['x, y, z', 'z, y, x'], ['x, y, z', '-z+1/2, y, -x+1/2'], ['x, y, z', '-z+1/2, y, -x+1/2'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y, x, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-z+1/2, y, -x+1/2'], ['x, y, z', '-z+1/2, y, -x+1/2'], ['x, y, z', 'z, y, x'], ['x, y, z', 'z, y, x'], ['x, y, z', 'x, -z+1/2, -y+1/2'], ['x, y, z', 'x, -z+1/2, -y+1/2'], ['x, y, z', 'x, z, y'], ['x, y, z', 'x, z, y']], [['x, y, z', '-x+1, -z, -y'], ['x, y, z', '-x, z+1/2, y-1/2'], ['x, y, z', '-x, z-1/2, y+1/2'], ['x, y, z', '-x+1, -z+1, -y+1'], ['x, y, z', '-z, -y+1, -x'], ['x, y, z', 'z-1/2, -y, x+1/2'], ['x, y, z', 'z+1/2, -y, x-1/2'], ['x, y, z', '-z+1, -y+1, -x+1'], ['x, y, z', '-y, -x, -z+1'], ['x, y, z', 'y+1/2, x-1/2, -z'], ['x, y, z', 'y-1/2, x+1/2, -z'], ['x, y, z', '-y+1, -x+1, -z+1'], ['x, y, z', '-x+1, -z, -y'], ['x, y, z', '-x, z+1/2, y-1/2'], ['x, y, z', '-x, z-1/2, y+1/2'], ['x, y, z', '-x+1, -z+1, -y+1'], ['x, y, z', '-z, -y+1, -x'], ['x, y, z', 'z-1/2, -y, x+1/2'], ['x, y, z', 'z+1/2, -y, x-1/2'], ['x, y, z', '-z+1, -y+1, -x+1'], ['x, y, z', '-y, -x, -z+1'], ['x, y, z', 'y+1/2, x-1/2, -z'], ['x, y, z', 'y-1/2, x+1/2, -z'], ['x, y, z', '-y+1, -x+1, -z+1']], [['x, y, z', '-x+1, z-1/2, y+1/2'], ['x, y, z', '-x, -z+1, -y+1'], ['x, y, z', '-x, -z, -y'], ['x, y, z', '-x+1, z+1/2, y-1/2'], ['x, y, z', 'z+1/2, -y+1, x-1/2'], ['x, y, z', '-z+1, -y, -x+1'], ['x, y, z', '-z, -y, -x'], ['x, y, z', 'z-1/2, -y+1, x+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+1'], ['x, y, z', '-y+1, -x+1, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', 'y+1/2, x-1/2, -z+1'], ['x, y, z', '-x+1, z-1/2, y+1/2'], ['x, y, z', '-x, -z+1, -y+1'], ['x, y, z', '-x, -z, -y'], ['x, y, z', '-x+1, z+1/2, y-1/2'], ['x, y, z', 'z+1/2, -y+1, x-1/2'], ['x, y, z', '-z+1, -y, -x+1'], ['x, y, z', '-z, -y, -x'], ['x, y, z', 'z-1/2, -y+1, x+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+1'], ['x, y, z', '-y+1, -x+1, -z'], ['x, y, z', '-y, -x, -z'], ['x, y, z', 'y+1/2, x-1/2, -z+1']], [['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z+1/2'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', 'x, -y+1/2, -z+3/2'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-x+1/2, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z+3/2'], ['x, y, z', 'x, -y+3/2, -z+1/2'], 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z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z'], ['x, y, z', 'x, y, -z']], [['x, y, z', '-x+1, z, y', '-x+1, y, z', 'x, z, y'], ['x, y, z', '-x+1, 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'-z+1/2, y, -x+1/2'], ['x, y, z', 'x, -y+2, z', 'z-1/2, -y+2, x+1/2', 'z-1/2, y, x+1/2'], ['x, y, z', 'x, y, -z+2', 'y-1/2, x+1/2, -z+2', 'y-1/2, x+1/2, z'], ['x, y, z', 'x, y, -z+2', '-y+1/2, -x+1/2, -z+2', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, y, -z+2', '-y+1/2, -x+1/2, -z+2', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, y, -z+2', 'y-1/2, x+1/2, -z+2', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+2, y, z', '-x+2, z-1/2, y+1/2', 'x, z-1/2, y+1/2'], ['x, y, z', '-x+2, y, z', '-x+2, -z+1/2, -y+1/2', 'x, -z+1/2, -y+1/2'], ['x, y, z', '-x+2, y, z', '-x+2, -z+1/2, -y+1/2', 'x, -z+1/2, -y+1/2'], ['x, y, z', '-x+2, y, z', '-x+2, z-1/2, y+1/2', 'x, z-1/2, y+1/2'], ['x, y, z', 'z, -y+1, x', 'x, -y+1, z', 'z, y, x'], ['x, y, z', '-z+1, -y+1, -x+1', 'x, -y+1, z', '-z+1, y, -x+1'], ['x, y, z', '-z+1, -y+1, -x+1', 'x, -y+1, z', '-z+1, y, -x+1'], ['x, y, z', 'z, -y+1, x', 'x, -y+1, z', 'z, y, x'], ['x, y, z', 'x, y, -z+2', 'y+1/2, x-1/2, -z+2', 'y+1/2, x-1/2, z'], ['x, y, z', 'x, y, -z+2', '-y+1/2, -x+1/2, -z+2', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, y, -z+2', '-y+1/2, -x+1/2, -z+2', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, y, -z+2', 'y+1/2, x-1/2, -z+2', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+2, y, z', '-x+2, z+1/2, y-1/2', 'x, z+1/2, y-1/2'], ['x, y, z', '-x+2, y, z', '-x+2, -z+1/2, -y+1/2', 'x, -z+1/2, -y+1/2'], ['x, y, z', '-x+2, y, z', '-x+2, -z+1/2, -y+1/2', 'x, -z+1/2, -y+1/2'], ['x, y, z', '-x+2, y, z', '-x+2, z+1/2, y-1/2', 'x, z+1/2, y-1/2'], ['x, y, z', 'x, -y+2, z', 'z+1/2, -y+2, x-1/2', 'z+1/2, y, x-1/2'], ['x, y, z', 'x, -y+2, z', '-z+1/2, -y+2, -x+1/2', '-z+1/2, y, -x+1/2'], ['x, y, z', 'x, -y+2, z', '-z+1/2, -y+2, -x+1/2', '-z+1/2, y, -x+1/2'], ['x, y, z', 'x, -y+2, z', 'z+1/2, -y+2, x-1/2', 'z+1/2, y, x-1/2'], ['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z'], ['x, y, z', '-y+1, -x+1, -z+1', 'x, y, -z+1', '-y+1, -x+1, z'], ['x, y, z', '-y+1, -x+1, -z+1', 'x, y, -z+1', '-y+1, -x+1, z'], ['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z']], [['x, y, z', '-x, z, y', '-x, y, z', 'x, z, y'], ['x, y, z', '-x, -z, -y', '-x, y, z', 'x, -z, -y'], ['x, y, z', '-x, -z, -y', '-x, y, z', 'x, -z, -y'], ['x, y, z', '-x, z, y', '-x, y, z', 'x, z, y'], ['x, y, z', 'z, -y, x', 'x, -y, z', 'z, y, x'], ['x, y, z', '-z, -y, -x', 'x, -y, z', '-z, y, -x'], ['x, y, z', '-z, -y, -x', 'x, -y, z', '-z, y, -x'], ['x, y, z', 'z, -y, x', 'x, -y, z', 'z, y, x'], ['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z'], ['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', '-x, z, y', '-x, y, z', 'x, z, y'], ['x, y, z', '-x, -z+1, -y+1', '-x, y, z', 'x, -z+1, -y+1'], ['x, y, z', '-x, -z+1, -y+1', '-x, y, z', 'x, -z+1, -y+1'], ['x, y, z', '-x, z, y', '-x, y, z', 'x, z, y'], ['x, y, z', 'x, -y+1, z', 'z-1/2, -y+1, x+1/2', 'z-1/2, y, x+1/2'], ['x, y, z', 'x, -y+1, z', '-z+1/2, -y+1, -x+1/2', '-z+1/2, y, -x+1/2'], ['x, y, z', 'x, -y+1, z', '-z+1/2, -y+1, -x+1/2', '-z+1/2, y, -x+1/2'], ['x, y, z', 'x, -y+1, z', 'z-1/2, -y+1, x+1/2', 'z-1/2, y, x+1/2'], ['x, y, z', 'x, y, -z+1', 'y-1/2, x+1/2, -z+1', 'y-1/2, x+1/2, z'], ['x, y, z', 'x, y, -z+1', '-y+1/2, -x+1/2, -z+1', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, y, -z+1', '-y+1/2, -x+1/2, -z+1', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, y, -z+1', 'y-1/2, x+1/2, -z+1', 'y-1/2, x+1/2, z'], ['x, y, z', '-x+1, y, z', '-x+1, z-1/2, y+1/2', 'x, z-1/2, y+1/2'], ['x, y, z', '-x+1, y, z', '-x+1, -z+1/2, -y+1/2', 'x, -z+1/2, -y+1/2'], ['x, y, z', '-x+1, y, z', '-x+1, -z+1/2, -y+1/2', 'x, -z+1/2, -y+1/2'], ['x, y, z', '-x+1, y, z', '-x+1, z-1/2, y+1/2', 'x, z-1/2, y+1/2'], ['x, y, z', 'z, -y, x', 'x, -y, z', 'z, y, x'], ['x, y, z', '-z+1, -y, -x+1', 'x, -y, z', '-z+1, y, -x+1'], ['x, y, z', '-z+1, -y, -x+1', 'x, -y, z', '-z+1, y, -x+1'], ['x, y, z', 'z, -y, x', 'x, -y, z', 'z, y, x'], ['x, y, z', 'x, y, -z+1', 'y+1/2, x-1/2, -z+1', 'y+1/2, x-1/2, z'], ['x, y, z', 'x, y, -z+1', '-y+1/2, -x+1/2, -z+1', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, y, -z+1', '-y+1/2, -x+1/2, -z+1', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, y, -z+1', 'y+1/2, x-1/2, -z+1', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1, y, z', '-x+1, z+1/2, y-1/2', 'x, z+1/2, y-1/2'], ['x, y, z', '-x+1, y, z', '-x+1, -z+1/2, -y+1/2', 'x, -z+1/2, -y+1/2'], ['x, y, z', '-x+1, y, z', '-x+1, -z+1/2, -y+1/2', 'x, -z+1/2, -y+1/2'], ['x, y, z', '-x+1, y, z', '-x+1, z+1/2, y-1/2', 'x, z+1/2, y-1/2'], ['x, y, z', 'x, -y+1, z', 'z+1/2, -y+1, x-1/2', 'z+1/2, y, x-1/2'], ['x, y, z', 'x, -y+1, z', '-z+1/2, -y+1, -x+1/2', '-z+1/2, y, -x+1/2'], ['x, y, z', 'x, -y+1, z', '-z+1/2, -y+1, -x+1/2', '-z+1/2, y, -x+1/2'], ['x, y, z', 'x, -y+1, z', 'z+1/2, -y+1, x-1/2', 'z+1/2, y, x-1/2'], ['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', '-y+1, -x+1, -z', 'x, y, -z', '-y+1, -x+1, z'], ['x, y, z', '-y+1, -x+1, -z', 'x, y, -z', '-y+1, -x+1, z'], ['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z']], [['x, y, z', 'x, z, y', 'x, -y+1/2, -z+1/2', 'x, -z+1/2, -y+1/2'], ['x, y, z', 'x, -z+1, -y+1', 'x, -y+3/2, -z+1/2', 'x, z+1/2, y-1/2'], ['x, y, z', 'z, y, x', '-x+1/2, y, -z+1/2', '-z+1/2, y, -x+1/2'], ['x, y, z', '-z+1, y, -x+1', '-x+1/2, y, -z+3/2', 'z-1/2, y, x+1/2'], ['x, y, z', 'y, x, z', '-x+1/2, -y+1/2, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1, -x+1, z', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-z+1, y, -x+1', '-x+1/2, y, -z+3/2', 'z-1/2, y, x+1/2'], ['x, y, z', 'z, y, x', '-x+3/2, y, -z+3/2', '-z+3/2, y, -x+3/2'], ['x, y, z', 'x, -z+1, -y+1', 'x, -y+1/2, -z+3/2', 'x, z-1/2, y+1/2'], ['x, y, z', 'x, z, y', 'x, -y+1/2, -z+1/2', 'x, -z+1/2, -y+1/2'], ['x, y, z', 'y, x, z', '-x+1/2, -y+1/2, z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1, -x+1, z', '-x+1/2, -y+3/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'x, z, y', 'x, -y+3/2, -z+3/2', 'x, -z+3/2, -y+3/2'], ['x, y, z', 'x, -z+2, -y+2', 'x, -y+5/2, -z+3/2', 'x, z+1/2, y-1/2'], ['x, y, z', '-z+1, y, -x+1', '-x+1/2, y, -z+3/2', 'z-1/2, y, x+1/2'], ['x, y, z', 'z-1, y, x+1', '-x+1/2, y, -z+5/2', '-z+3/2, y, -x+3/2'], ['x, y, z', '-y+1, -x+1, z', '-x+1/2, -y+3/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y, x, z', '-x+3/2, -y+3/2, z', '-y+3/2, -x+3/2, z'], ['x, y, z', 'z-1, y, x+1', '-x+1/2, y, -z+5/2', '-z+3/2, y, -x+3/2'], ['x, y, z', '-z+2, y, -x+2', '-x+3/2, y, -z+5/2', 'z-1/2, y, x+1/2'], ['x, y, z', 'x, -z+2, -y+2', 'x, -y+3/2, -z+5/2', 'x, z-1/2, y+1/2'], ['x, y, z', 'x, z, y', 'x, -y+3/2, -z+3/2', 'x, -z+3/2, -y+3/2'], ['x, y, z', '-y+1, -x+1, z', '-x+1/2, -y+3/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1, x+1, z', '-x+1/2, -y+5/2, z', '-y+3/2, -x+3/2, z'], ['x, y, z', 'x, -z+1, -y+1', 'x, -y+1/2, -z+3/2', 'x, z-1/2, y+1/2'], ['x, y, z', 'x, z, y', 'x, -y+3/2, -z+3/2', 'x, -z+3/2, -y+3/2'], ['x, y, z', 'z, y, x', '-x+3/2, y, -z+3/2', '-z+3/2, y, -x+3/2'], ['x, y, z', '-z+2, y, -x+2', '-x+3/2, y, -z+5/2', 'z-1/2, y, x+1/2'], ['x, y, z', '-y+1, -x+1, z', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'y+1, x-1, z', '-x+5/2, -y+1/2, z', '-y+3/2, -x+3/2, z'], ['x, y, z', '-z+2, y, -x+2', '-x+3/2, y, -z+5/2', 'z-1/2, y, x+1/2'], ['x, y, z', 'z, y, x', '-x+5/2, y, -z+5/2', '-z+5/2, y, -x+5/2'], ['x, y, z', 'x, z-1, y+1', 'x, -y+1/2, -z+5/2', 'x, -z+3/2, -y+3/2'], ['x, y, z', 'x, -z+1, -y+1', 'x, -y+1/2, -z+3/2', 'x, z-1/2, y+1/2'], ['x, y, z', '-y+1, -x+1, z', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'y, x, z', '-x+3/2, -y+3/2, z', '-y+3/2, -x+3/2, z'], ['x, y, z', 'x, -z+1, -y+1', 'x, -y+3/2, -z+1/2', 'x, z+1/2, y-1/2'], ['x, y, z', 'x, z+1, y-1', 'x, -y+5/2, -z+1/2', 'x, -z+3/2, -y+3/2'], ['x, y, z', '-z+1, y, -x+1', '-x+3/2, y, -z+1/2', 'z+1/2, y, x-1/2'], ['x, y, z', 'z, y, x', '-x+3/2, y, -z+3/2', '-z+3/2, y, -x+3/2'], ['x, y, z', 'y, x, z', '-x+3/2, -y+3/2, z', '-y+3/2, -x+3/2, z'], ['x, y, z', '-y+2, -x+2, z', '-x+5/2, -y+3/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'z, y, x', '-x+3/2, y, -z+3/2', '-z+3/2, y, -x+3/2'], ['x, y, z', '-z+2, y, -x+2', '-x+5/2, y, -z+3/2', 'z+1/2, y, x-1/2'], ['x, y, z', 'x, z, y', 'x, -y+3/2, -z+3/2', 'x, -z+3/2, -y+3/2'], ['x, y, z', 'x, -z+1, -y+1', 'x, -y+3/2, -z+1/2', 'x, z+1/2, y-1/2'], ['x, y, z', 'y, x, z', '-x+3/2, -y+3/2, z', '-y+3/2, -x+3/2, z'], ['x, y, z', '-y+2, -x+2, z', '-x+3/2, -y+5/2, z', 'y-1/2, x+1/2, z']], [['x, y, z', 'z, x, y', 'y, z, x', 'y, x, z', 'x, z, y', 'z, y, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x', 'y, x, z', 'x, -z, -y', '-z, y, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x', '-y, -x, z', 'x, -z, -y', 'z, y, x'], ['x, y, z', '-z, -x, y', '-y, z, -x', '-y, -x, z', 'x, z, y', '-z, y, -x'], ['x, y, z', '-z, x, -y', 'y, -z, -x', 'y, x, z', 'x, -z, -y', '-z, y, -x'], ['x, y, z', 'z, x, y', 'y, z, x', 'y, x, z', 'x, z, y', 'z, y, x'], ['x, y, z', 'z, -x, -y', '-y, -z, x', '-y, -x, z', 'x, -z, -y', 'z, y, x'], ['x, y, z', '-z, -x, y', '-y, z, -x', '-y, -x, z', 'x, z, y', '-z, y, -x'], ['x, y, z', 'x, z, y', 'y-1/2, z, x+1/2', 'z-1/2, y, x+1/2', 'z-1/2, x+1/2, y', 'y-1/2, x+1/2, z'], ['x, y, z', 'x, -z+1, -y+1', 'y-1/2, -z+1, -x+1/2', '-z+1/2, y, -x+1/2', '-z+1/2, x+1/2, -y+1', 'y-1/2, x+1/2, z'], ['x, y, z', 'x, -z+1, -y+1', '-y+1/2, -z+1, x+1/2', 'z-1/2, y, x+1/2', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, z, y', '-y+1/2, z, -x+1/2', '-z+1/2, y, -x+1/2', '-z+1/2, -x+1/2, y', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, -z+1, -y+1', 'y-1/2, -z+1, -x+1/2', '-z+1/2, y, -x+1/2', '-z+1/2, x+1/2, -y+1', 'y-1/2, x+1/2, z'], ['x, y, z', 'x, z, y', 'y-1/2, z, x+1/2', 'z-1/2, y, x+1/2', 'z-1/2, x+1/2, y', 'y-1/2, x+1/2, z'], ['x, y, z', 'x, -z+1, -y+1', '-y+1/2, -z+1, x+1/2', 'z-1/2, y, x+1/2', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -x+1/2, z'], ['x, y, z', 'x, z, y', '-y+1/2, z, -x+1/2', '-z+1/2, y, -x+1/2', '-z+1/2, -x+1/2, y', '-y+1/2, -x+1/2, z'], ['x, y, z', 'z, y, x', 'z, x-1/2, y+1/2', 'x, z-1/2, y+1/2', 'y+1/2, z-1/2, x', 'y+1/2, x-1/2, z'], ['x, y, z', '-z+1, y, -x+1', '-z+1, x-1/2, -y+1/2', 'x, -z+1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1', 'y+1/2, x-1/2, z'], ['x, y, z', 'z, y, x', 'z, -x+1/2, -y+1/2', 'x, -z+1/2, -y+1/2', '-y+1/2, -z+1/2, x', '-y+1/2, -x+1/2, z'], ['x, y, z', '-z+1, y, -x+1', '-z+1, -x+1/2, y+1/2', 'x, z-1/2, y+1/2', '-y+1/2, z-1/2, -x+1', '-y+1/2, -x+1/2, z'], ['x, y, z', '-z+1, y, -x+1', '-z+1, x-1/2, -y+1/2', 'x, -z+1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1', 'y+1/2, x-1/2, z'], ['x, y, z', 'z, y, x', 'z, x-1/2, y+1/2', 'x, z-1/2, y+1/2', 'y+1/2, z-1/2, x', 'y+1/2, x-1/2, z'], ['x, y, z', 'z, y, x', 'z, -x+1/2, -y+1/2', 'x, -z+1/2, -y+1/2', '-y+1/2, -z+1/2, x', '-y+1/2, -x+1/2, z'], ['x, y, z', '-z+1, y, -x+1', '-z+1, -x+1/2, y+1/2', 'x, z-1/2, y+1/2', '-y+1/2, z-1/2, -x+1', '-y+1/2, -x+1/2, z'], ['x, y, z', 'y, x, z', 'y, z+1/2, x-1/2', 'x, z+1/2, y-1/2', 'z+1/2, x, y-1/2', 'z+1/2, y, x-1/2'], ['x, y, z', 'y, x, z', 'y, -z+1/2, -x+1/2', 'x, -z+1/2, -y+1/2', '-z+1/2, x, -y+1/2', '-z+1/2, y, -x+1/2'], ['x, y, z', '-y+1, -x+1, z', '-y+1, -z+1/2, x-1/2', 'x, -z+1/2, -y+1/2', 'z+1/2, -x+1, -y+1/2', 'z+1/2, y, x-1/2'], ['x, y, z', '-y+1, -x+1, z', '-y+1, z+1/2, -x+1/2', 'x, z+1/2, y-1/2', '-z+1/2, -x+1, y-1/2', '-z+1/2, y, -x+1/2'], ['x, y, z', 'y, x, z', 'y, -z+1/2, -x+1/2', 'x, -z+1/2, -y+1/2', '-z+1/2, x, -y+1/2', '-z+1/2, y, -x+1/2'], ['x, y, z', 'y, x, z', 'y, z+1/2, x-1/2', 'x, z+1/2, y-1/2', 'z+1/2, x, y-1/2', 'z+1/2, y, x-1/2'], ['x, y, z', '-y+1, -x+1, z', '-y+1, -z+1/2, x-1/2', 'x, -z+1/2, -y+1/2', 'z+1/2, -x+1, -y+1/2', 'z+1/2, y, x-1/2'], ['x, y, z', '-y+1, -x+1, z', '-y+1, z+1/2, -x+1/2', 'x, z+1/2, y-1/2', '-z+1/2, -x+1, y-1/2', '-z+1/2, y, -x+1/2']], [['x, y, z', 'x, -y, -z', 'x, z, -y', 'x, -z, y', 'x, y, -z', 'x, -y, z', 'x, -z, -y', 'x, z, y'], ['x, y, z', 'x, -y, -z', 'x, z, -y', 'x, -z, y', 'x, y, -z', 'x, -y, z', 'x, -z, -y', 'x, z, y'], ['x, y, z', '-x, y, -z', 'z, y, -x', '-z, y, x', 'x, y, -z', '-x, y, z', '-z, y, -x', 'z, y, x'], ['x, y, z', '-x, y, -z', 'z, y, -x', '-z, y, x', 'x, y, -z', '-x, y, z', '-z, y, -x', 'z, y, x'], ['x, y, z', '-x, -y, z', 'y, -x, z', '-y, x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', 'y, -x, z', '-y, x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, z, -y+1', 'x, -z+1, y', 'x, y, -z+1', 'x, -y+1, z', 'x, -z+1, -y+1', 'x, z, y'], ['x, y, z', 'x, -y+1, -z+1', 'x, z, -y+1', 'x, -z+1, y', 'x, y, -z+1', 'x, -y+1, z', 'x, -z+1, -y+1', 'x, z, y'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z', 'z-1/2, y, -x+1/2', '-z+1/2, y, x+1/2', '-z+1/2, y, -x+1/2', 'z-1/2, y, x+1/2'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z', 'z-1/2, y, -x+1/2', '-z+1/2, y, x+1/2', '-z+1/2, y, -x+1/2', 'z-1/2, y, x+1/2'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z', 'y-1/2, -x+1/2, z', '-y+1/2, x+1/2, z', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z', 'y-1/2, -x+1/2, z', '-y+1/2, x+1/2, z', '-y+1/2, -x+1/2, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z', 'x, z-1/2, -y+1/2', 'x, -z+1/2, y+1/2', 'x, -z+1/2, -y+1/2', 'x, z-1/2, y+1/2'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z', 'x, z-1/2, -y+1/2', 'x, -z+1/2, y+1/2', 'x, -z+1/2, -y+1/2', 'x, z-1/2, y+1/2'], ['x, y, z', '-x+1, y, -z+1', 'z, y, -x+1', '-z+1, y, x', 'x, y, -z+1', '-x+1, y, z', '-z+1, y, -x+1', 'z, y, x'], ['x, y, z', '-x+1, y, -z+1', 'z, y, -x+1', '-z+1, y, x', 'x, y, -z+1', '-x+1, y, z', '-z+1, y, -x+1', 'z, y, x'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z', 'y+1/2, -x+1/2, z', '-y+1/2, x-1/2, z', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z', 'y+1/2, -x+1/2, z', '-y+1/2, x-1/2, z', '-y+1/2, -x+1/2, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z', 'x, z+1/2, -y+1/2', 'x, -z+1/2, y-1/2', 'x, -z+1/2, -y+1/2', 'x, z+1/2, y-1/2'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z', 'x, z+1/2, -y+1/2', 'x, -z+1/2, y-1/2', 'x, -z+1/2, -y+1/2', 'x, z+1/2, y-1/2'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z', 'z+1/2, y, -x+1/2', '-z+1/2, y, x-1/2', '-z+1/2, y, -x+1/2', 'z+1/2, y, x-1/2'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z', 'z+1/2, y, -x+1/2', '-z+1/2, y, x-1/2', '-z+1/2, y, -x+1/2', 'z+1/2, y, x-1/2'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, z', '-y+1, x, z', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, z', '-y+1, x, z', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', '-x, z, y', '-x, y, z', 'x, z, y', 'x, -y+1/2, -z+1/2', '-x, -z+1/2, -y+1/2', '-x, -y+1/2, -z+1/2', 'x, -z+1/2, -y+1/2'], ['x, y, z', '-x, -z+1, -y+1', '-x, y, z', 'x, -z+1, -y+1', 'x, -y+3/2, -z+1/2', '-x, z+1/2, y-1/2', '-x, -y+3/2, -z+1/2', 'x, z+1/2, y-1/2'], ['x, y, z', 'z, -y, x', 'x, -y, z', 'z, y, x', '-x+1/2, y, -z+1/2', '-z+1/2, -y, -x+1/2', '-x+1/2, -y, -z+1/2', '-z+1/2, y, -x+1/2'], ['x, y, z', '-z+1, -y, -x+1', 'x, -y, z', '-z+1, y, -x+1', '-x+1/2, y, -z+3/2', 'z-1/2, -y, x+1/2', '-x+1/2, -y, -z+3/2', 'z-1/2, y, x+1/2'], ['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z', '-x+1/2, -y+1/2, z', '-y+1/2, -x+1/2, -z', '-x+1/2, -y+1/2, -z', '-y+1/2, -x+1/2, z'], ['x, y, z', '-y+1, -x+1, -z', 'x, y, -z', '-y+1, -x+1, z', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, -z', '-x+3/2, -y+1/2, -z', 'y+1/2, x-1/2, z'], ['x, y, z', '-x, z, y', '-x, y, z', 'x, z, y', 'x, -y+3/2, -z+3/2', '-x, -z+3/2, -y+3/2', '-x, -y+3/2, -z+3/2', 'x, -z+3/2, -y+3/2'], ['x, y, z', '-x, -z+2, -y+2', '-x, y, z', 'x, -z+2, -y+2', 'x, -y+5/2, -z+3/2', '-x, z+1/2, y-1/2', '-x, -y+5/2, -z+3/2', 'x, z+1/2, y-1/2'], ['x, y, z', '-z+1, -y+1, -x+1', 'x, -y+1, z', '-z+1, y, -x+1', '-x+1/2, y, -z+3/2', 'z-1/2, -y+1, x+1/2', '-x+1/2, -y+1, -z+3/2', 'z-1/2, y, x+1/2'], ['x, y, z', 'z-1, -y+1, x+1', 'x, -y+1, z', 'z-1, y, x+1', '-x+1/2, y, -z+5/2', '-z+3/2, -y+1, -x+3/2', '-x+1/2, -y+1, -z+5/2', '-z+3/2, y, -x+3/2'], ['x, y, z', '-y+1, -x+1, -z+1', 'x, y, -z+1', '-y+1, -x+1, z', '-x+1/2, -y+3/2, z', 'y-1/2, x+1/2, -z+1', '-x+1/2, -y+3/2, -z+1', 'y-1/2, x+1/2, z'], ['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z', '-x+3/2, -y+3/2, z', '-y+3/2, -x+3/2, -z+1', '-x+3/2, -y+3/2, -z+1', '-y+3/2, -x+3/2, z'], ['x, y, z', '-x+1, -z+1, -y+1', '-x+1, y, z', 'x, -z+1, -y+1', 'x, -y+1/2, -z+3/2', '-x+1, z-1/2, y+1/2', '-x+1, -y+1/2, -z+3/2', 'x, z-1/2, y+1/2'], ['x, y, z', '-x+1, z, y', '-x+1, y, z', 'x, z, y', 'x, -y+3/2, -z+3/2', '-x+1, -z+3/2, -y+3/2', '-x+1, -y+3/2, -z+3/2', 'x, -z+3/2, -y+3/2'], ['x, y, z', 'z, -y, x', 'x, -y, z', 'z, y, x', '-x+3/2, y, -z+3/2', '-z+3/2, -y, -x+3/2', '-x+3/2, -y, -z+3/2', '-z+3/2, y, -x+3/2'], ['x, y, z', '-z+2, -y, -x+2', 'x, -y, z', '-z+2, y, -x+2', '-x+3/2, y, -z+5/2', 'z-1/2, -y, x+1/2', '-x+3/2, -y, -z+5/2', 'z-1/2, y, x+1/2'], ['x, y, z', '-y+1, -x+1, -z+1', 'x, y, -z+1', '-y+1, -x+1, z', '-x+3/2, -y+1/2, z', 'y+1/2, x-1/2, -z+1', '-x+3/2, -y+1/2, -z+1', 'y+1/2, x-1/2, z'], ['x, y, z', 'y+1, x-1, -z+1', 'x, y, -z+1', 'y+1, x-1, z', '-x+5/2, -y+1/2, z', '-y+3/2, -x+3/2, -z+1', '-x+5/2, -y+1/2, -z+1', '-y+3/2, -x+3/2, z'], ['x, y, z', '-x+1, -z+1, -y+1', '-x+1, y, z', 'x, -z+1, -y+1', 'x, -y+3/2, -z+1/2', '-x+1, z+1/2, y-1/2', '-x+1, -y+3/2, -z+1/2', 'x, z+1/2, y-1/2'], ['x, y, z', '-x+1, z+1, y-1', '-x+1, y, z', 'x, z+1, y-1', 'x, -y+5/2, -z+1/2', '-x+1, -z+3/2, -y+3/2', '-x+1, -y+5/2, -z+1/2', 'x, -z+3/2, -y+3/2'], ['x, y, z', '-z+1, -y+1, -x+1', 'x, -y+1, z', '-z+1, y, -x+1', '-x+3/2, y, -z+1/2', 'z+1/2, -y+1, x-1/2', '-x+3/2, -y+1, -z+1/2', 'z+1/2, y, x-1/2'], ['x, y, z', 'z, -y+1, x', 'x, -y+1, z', 'z, y, x', '-x+3/2, y, -z+3/2', '-z+3/2, -y+1, -x+3/2', '-x+3/2, -y+1, -z+3/2', '-z+3/2, y, -x+3/2'], ['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z', '-x+3/2, -y+3/2, z', '-y+3/2, -x+3/2, -z', '-x+3/2, -y+3/2, -z', '-y+3/2, -x+3/2, z'], ['x, y, z', '-y+2, -x+2, -z', 'x, y, -z', '-y+2, -x+2, z', '-x+5/2, -y+3/2, z', 'y+1/2, x-1/2, -z', '-x+5/2, -y+3/2, -z', 'y+1/2, x-1/2, z']], [['x, y, z', 'z, x, y', 'y, z, x', 'y, x, z', 'x, z, y', 'z, y, x', 'x, -y+1/2, -z+1/2', 'z, -x+1/2, -y+1/2', 'y, -z+1/2, -x+1/2', 'y, -x+1/2, -z+1/2', 'x, -z+1/2, -y+1/2', 'z, -y+1/2, -x+1/2', '-x+1/2, y, -z+1/2', '-z+1/2, x, -y+1/2', '-y+1/2, z, -x+1/2', '-y+1/2, x, -z+1/2', '-x+1/2, z, -y+1/2', '-z+1/2, y, -x+1/2', '-x+1/2, -y+1/2, z', '-z+1/2, -x+1/2, y', '-y+1/2, -z+1/2, x', '-y+1/2, -x+1/2, z', '-x+1/2, -z+1/2, y', '-z+1/2, -y+1/2, x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', 'y, x, z', 'x, -z+1, -y+1', '-z+1, y, -x+1', 'x, -y+1/2, -z+3/2', '-z+1, -x+1/2, y+1/2', 'y, z-1/2, x+1/2', 'y, -x+1/2, -z+3/2', 'x, z-1/2, y+1/2', '-z+1, -y+1/2, x+1/2', '-x+1/2, y, -z+3/2', 'z-1/2, x, y+1/2', '-y+1/2, -z+1, x+1/2', '-y+1/2, x, -z+3/2', '-x+1/2, -z+1, y+1/2', 'z-1/2, y, x+1/2', '-x+1/2, -y+1/2, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, z-1/2, -x+1', '-y+1/2, -x+1/2, z', '-x+1/2, z-1/2, -y+1', 'z-1/2, -y+1/2, -x+1'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1', '-y+1, -x+1, z', 'x, z, y', '-z+1, y, -x+1', 'x, -y+3/2, -z+3/2', '-z+1, x+1/2, -y+3/2', '-y+1, -z+3/2, x+1/2', '-y+1, x+1/2, -z+3/2', 'x, -z+3/2, -y+3/2', '-z+1, -y+3/2, x+1/2', '-x+1/2, y, -z+3/2', 'z-1/2, -x+1, -y+3/2', 'y-1/2, z, x+1/2', 'y-1/2, -x+1, -z+3/2', '-x+1/2, z, -y+3/2', 'z-1/2, y, x+1/2', '-x+1/2, -y+3/2, z', 'z-1/2, x+1/2, y', 'y-1/2, -z+3/2, -x+1', 'y-1/2, x+1/2, z', '-x+1/2, -z+3/2, y', 'z-1/2, -y+3/2, -x+1'], ['x, y, z', 'z-1, -x+1, -y+2', '-y+1, -z+2, x+1', '-y+1, -x+1, z', 'x, -z+2, -y+2', 'z-1, y, x+1', 'x, -y+3/2, -z+5/2', 'z-1, x+1/2, y+1/2', '-y+1, z-1/2, -x+3/2', '-y+1, x+1/2, -z+5/2', 'x, z-1/2, y+1/2', 'z-1, -y+3/2, -x+3/2', '-x+1/2, y, -z+5/2', '-z+3/2, -x+1, y+1/2', 'y-1/2, -z+2, -x+3/2', 'y-1/2, -x+1, -z+5/2', '-x+1/2, -z+2, y+1/2', '-z+3/2, y, -x+3/2', '-x+1/2, -y+3/2, z', '-z+3/2, x+1/2, -y+2', 'y-1/2, z-1/2, x+1', 'y-1/2, x+1/2, z', '-x+1/2, z-1/2, -y+2', '-z+3/2, -y+3/2, x+1'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x', '-y+1, -x+1, z', 'x, -z+1, -y+1', 'z, y, x', 'x, -y+1/2, -z+3/2', 'z, x-1/2, y+1/2', '-y+1, z-1/2, -x+3/2', '-y+1, x-1/2, -z+3/2', 'x, z-1/2, y+1/2', 'z, -y+1/2, -x+3/2', '-x+3/2, y, -z+3/2', '-z+3/2, -x+1, y+1/2', 'y+1/2, -z+1, -x+3/2', 'y+1/2, -x+1, -z+3/2', '-x+3/2, -z+1, y+1/2', '-z+3/2, y, -x+3/2', '-x+3/2, -y+1/2, z', '-z+3/2, x-1/2, -y+1', 'y+1/2, z-1/2, x', 'y+1/2, x-1/2, z', '-x+3/2, z-1/2, -y+1', '-z+3/2, -y+1/2, x'], ['x, y, z', '-z+2, -x+1, y+1', '-y+1, z-1, -x+2', '-y+1, -x+1, z', 'x, z-1, y+1', '-z+2, y, -x+2', 'x, -y+1/2, -z+5/2', '-z+2, x-1/2, -y+3/2', '-y+1, -z+3/2, x+1/2', '-y+1, x-1/2, -z+5/2', 'x, -z+3/2, -y+3/2', '-z+2, -y+1/2, x+1/2', '-x+3/2, y, -z+5/2', 'z-1/2, -x+1, -y+3/2', 'y+1/2, z-1, x+1/2', 'y+1/2, -x+1, -z+5/2', '-x+3/2, z-1, -y+3/2', 'z-1/2, y, x+1/2', '-x+3/2, -y+1/2, z', 'z-1/2, x-1/2, y+1', 'y+1/2, -z+3/2, -x+2', 'y+1/2, x-1/2, z', '-x+3/2, -z+3/2, y+1', 'z-1/2, -y+1/2, -x+2'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', 'y, x, z', 'x, -z+1, -y+1', '-z+1, y, -x+1', 'x, -y+3/2, -z+1/2', '-z+1, -x+3/2, y-1/2', 'y, z+1/2, x-1/2', 'y, -x+3/2, -z+1/2', 'x, z+1/2, y-1/2', '-z+1, -y+3/2, x-1/2', '-x+3/2, y, -z+1/2', 'z+1/2, x, y-1/2', '-y+3/2, -z+1, x-1/2', '-y+3/2, x, -z+1/2', '-x+3/2, -z+1, y-1/2', 'z+1/2, y, x-1/2', '-x+3/2, -y+3/2, z', 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y, z', 'x, -y+2, z'], ['x, y, z', 'x, -y+2, z'], ['x, y, z', 'x, -y+2, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, y, -z+2'], ['x, y, z', 'x, y, -z+2'], ['x, y, z', 'x, y, -z+2'], ['x, y, z', 'x, y, -z+2'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, -y, z'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, y, -z+1'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, z'], ['x, y, z', '-x+2, y, z'], ['x, y, z', '-x+2, y, z'], ['x, y, z', '-x+2, y, z'], ['x, y, z', '-x+2, y, z'], ['x, y, z', 'x, y, -z+2'], ['x, y, z', 'x, y, -z+2'], ['x, y, z', 'x, y, -z+2'], ['x, y, z', 'x, y, -z+2'], ['x, y, z', '-x+1, y, z'], ['x, y, z', '-x+1, y, z'], ['x, y, z', 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y, z', '-x+1/2, -z, -y'], ['x, y, z', '-x+3/2, z, y'], ['x, y, z', 'z, -y+3/2, x'], ['x, y, z', '-z, -y+1/2, -x'], ['x, y, z', '-z, -y+1/2, -x'], ['x, y, z', 'z, -y+3/2, x'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', '-y, -x, -z+1/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', '-x+1/2, z, y'], ['x, y, z', '-x+3/2, -z+1, -y+1'], ['x, y, z', '-x+3/2, -z+1, -y+1'], ['x, y, z', '-x+1/2, z, y'], ['x, y, z', 'z-1/2, -y+3/2, x+1/2'], ['x, y, z', '-z+1/2, -y+5/2, -x+1/2'], ['x, y, z', '-z+1/2, -y+5/2, -x+1/2'], ['x, y, z', 'z-1/2, -y+3/2, x+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+5/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+5/2'], ['x, y, z', 'y-1/2, x+1/2, -z+3/2'], ['x, y, z', '-x+3/2, z, y'], ['x, y, z', '-x+1/2, -z+1, -y+1'], ['x, y, z', '-x+1/2, -z+1, -y+1'], ['x, y, z', '-x+3/2, z, y'], ['x, y, z', 'z-1/2, -y+5/2, x+1/2'], ['x, y, z', '-z+1/2, -y+3/2, -x+1/2'], ['x, y, z', '-z+1/2, -y+3/2, -x+1/2'], ['x, y, z', 'z-1/2, -y+5/2, x+1/2'], ['x, y, z', 'y-1/2, x+1/2, -z+5/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', 'y-1/2, x+1/2, -z+5/2'], ['x, y, z', '-x+3/2, z-1/2, y+1/2'], ['x, y, z', '-x+5/2, -z+1/2, -y+1/2'], ['x, y, z', '-x+5/2, -z+1/2, -y+1/2'], ['x, y, z', '-x+3/2, z-1/2, y+1/2'], ['x, y, z', 'z, -y+1/2, x'], ['x, y, z', '-z+1, -y+3/2, -x+1'], ['x, y, z', '-z+1, -y+3/2, -x+1'], ['x, y, z', 'z, -y+1/2, x'], ['x, y, z', 'y+1/2, x-1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+5/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+5/2'], ['x, y, z', 'y+1/2, x-1/2, -z+3/2'], ['x, y, z', '-x+5/2, z-1/2, y+1/2'], ['x, y, z', '-x+3/2, -z+1/2, -y+1/2'], ['x, y, z', '-x+3/2, -z+1/2, -y+1/2'], ['x, y, z', '-x+5/2, z-1/2, y+1/2'], ['x, y, z', 'z, -y+3/2, x'], ['x, y, z', '-z+1, -y+1/2, -x+1'], ['x, y, z', '-z+1, -y+1/2, -x+1'], ['x, y, z', 'z, -y+3/2, x'], ['x, y, z', 'y+1/2, x-1/2, -z+5/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+3/2'], ['x, y, z', 'y+1/2, x-1/2, -z+5/2'], ['x, y, z', '-x+3/2, z+1/2, y-1/2'], ['x, y, z', '-x+5/2, -z+1/2, -y+1/2'], ['x, y, z', '-x+5/2, -z+1/2, -y+1/2'], ['x, y, z', '-x+3/2, z+1/2, y-1/2'], ['x, y, z', 'z+1/2, -y+3/2, x-1/2'], ['x, y, z', '-z+1/2, -y+5/2, -x+1/2'], ['x, y, z', '-z+1/2, -y+5/2, -x+1/2'], ['x, y, z', 'z+1/2, -y+3/2, x-1/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', '-y+1, -x+1, -z+3/2'], ['x, y, z', '-y+1, -x+1, -z+3/2'], ['x, y, z', 'y, x, -z+1/2'], ['x, y, z', '-x+5/2, z+1/2, y-1/2'], ['x, y, z', '-x+3/2, -z+1/2, -y+1/2'], ['x, y, z', '-x+3/2, -z+1/2, -y+1/2'], ['x, y, z', '-x+5/2, z+1/2, y-1/2'], ['x, y, z', 'z+1/2, -y+5/2, x-1/2'], ['x, y, z', '-z+1/2, -y+3/2, -x+1/2'], ['x, y, z', '-z+1/2, -y+3/2, -x+1/2'], ['x, y, z', 'z+1/2, -y+5/2, x-1/2'], ['x, y, z', 'y, x, -z+3/2'], ['x, y, z', '-y+1, -x+1, -z+1/2'], ['x, y, z', '-y+1, -x+1, -z+1/2'], ['x, y, z', 'y, x, -z+3/2']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x'], ['x, y, z', '-z, -x, y', '-y, z, -x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1'], ['x, y, z', 'y-1/2, z, x+1/2', 'z-1/2, x+1/2, y'], ['x, y, z', 'y-1/2, -z+1, -x+1/2', '-z+1/2, x+1/2, -y+1'], ['x, y, z', '-y+1/2, -z+1, x+1/2', 'z-1/2, -x+1/2, -y+1'], ['x, y, z', '-y+1/2, z, -x+1/2', '-z+1/2, -x+1/2, y'], ['x, y, z', 'y-1/2, -z+2, -x+3/2', '-z+3/2, x+1/2, -y+2'], ['x, y, z', 'y-1/2, z, x+1/2', 'z-1/2, x+1/2, y'], ['x, y, z', '-y+3/2, -z+2, x+1/2', 'z-1/2, -x+3/2, -y+2'], ['x, y, z', '-y+3/2, z, -x+3/2', '-z+3/2, -x+3/2, y'], ['x, y, z', 'y-1/2, z, x+1/2', 'z-1/2, x+1/2, y'], ['x, y, z', 'y-1/2, -z+1, -x+1/2', '-z+1/2, x+1/2, -y+1'], ['x, y, z', '-y+1/2, -z+1, x+1/2', 'z-1/2, -x+1/2, -y+1'], ['x, y, z', '-y+1/2, z, -x+1/2', '-z+1/2, -x+1/2, y'], ['x, y, z', 'y-1/2, -z+2, -x+3/2', '-z+3/2, x+1/2, -y+2'], ['x, y, z', 'y-1/2, z, x+1/2', 'z-1/2, x+1/2, y'], ['x, y, z', '-y+3/2, -z+2, x+1/2', 'z-1/2, -x+3/2, -y+2'], ['x, y, z', '-y+3/2, z, -x+3/2', '-z+3/2, -x+3/2, y'], ['x, y, z', 'z, x-1/2, y+1/2', 'y+1/2, z-1/2, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z, -x+1/2, -y+1/2', '-y+1/2, -z+1/2, x'], ['x, y, z', '-z+1, -x+1/2, y+1/2', '-y+1/2, z-1/2, -x+1'], ['x, y, z', '-z+2, x-1/2, -y+3/2', 'y+1/2, -z+3/2, -x+2'], ['x, y, z', 'z, x-1/2, y+1/2', 'y+1/2, z-1/2, x'], ['x, y, z', 'z, -x+3/2, -y+3/2', '-y+3/2, -z+3/2, x'], ['x, y, z', '-z+2, -x+3/2, y+1/2', '-y+3/2, z-1/2, -x+2'], ['x, y, z', 'z, x-1/2, y+1/2', 'y+1/2, z-1/2, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z, -x+1/2, -y+1/2', '-y+1/2, -z+1/2, x'], ['x, y, z', '-z+1, -x+1/2, y+1/2', '-y+1/2, z-1/2, -x+1'], ['x, y, z', '-z+2, x-1/2, -y+3/2', 'y+1/2, -z+3/2, -x+2'], ['x, y, z', 'z, x-1/2, y+1/2', 'y+1/2, z-1/2, x'], ['x, y, z', 'z, -x+3/2, -y+3/2', '-y+3/2, -z+3/2, x'], ['x, y, z', '-z+2, -x+3/2, y+1/2', '-y+3/2, z-1/2, -x+2'], ['x, y, z', 'y, z+1/2, x-1/2', 'z+1/2, x, y-1/2'], ['x, y, z', 'y, -z+1/2, -x+1/2', '-z+1/2, x, -y+1/2'], ['x, y, z', '-y+1, -z+1/2, x-1/2', 'z+1/2, -x+1, -y+1/2'], ['x, y, z', '-y+1, z+1/2, -x+1/2', '-z+1/2, -x+1, y-1/2'], ['x, y, z', 'y, -z+3/2, -x+3/2', '-z+3/2, x, -y+3/2'], ['x, y, z', 'y, z+1/2, x-1/2', 'z+1/2, x, y-1/2'], ['x, y, z', '-y+2, -z+3/2, x-1/2', 'z+1/2, -x+2, -y+3/2'], ['x, y, z', '-y+2, z+1/2, -x+3/2', '-z+3/2, -x+2, y-1/2'], ['x, y, z', 'y, z+1/2, x-1/2', 'z+1/2, x, y-1/2'], ['x, y, z', 'y, -z+1/2, -x+1/2', '-z+1/2, x, -y+1/2'], ['x, y, z', '-y+1, -z+1/2, x-1/2', 'z+1/2, -x+1, -y+1/2'], ['x, y, z', '-y+1, z+1/2, -x+1/2', '-z+1/2, -x+1, y-1/2'], ['x, y, z', 'y, -z+3/2, -x+3/2', '-z+3/2, x, -y+3/2'], ['x, y, z', 'y, z+1/2, x-1/2', 'z+1/2, x, y-1/2'], ['x, y, z', '-y+2, -z+3/2, x-1/2', 'z+1/2, -x+2, -y+3/2'], ['x, y, z', '-y+2, z+1/2, -x+3/2', '-z+3/2, -x+2, y-1/2']], [['x, y, z', 'x, -y+1/2, -z+1/2', 'x, -z+1/2, y', 'x, z, -y+1/2'], ['x, y, z', 'x, -y+3/2, -z+1/2', 'x, z+1/2, -y+1', 'x, -z+1, y-1/2'], ['x, y, z', '-z+1/2, y, x', '-x+1/2, y, -z+1/2', 'z, y, -x+1/2'], ['x, y, z', 'z-1/2, y, -x+1', '-x+1/2, y, -z+3/2', '-z+1, y, x+1/2'], ['x, y, z', '-y+1/2, x, z', 'y, -x+1/2, z', '-x+1/2, -y+1/2, z'], ['x, y, z', 'y+1/2, -x+1, z', '-y+1, x-1/2, z', '-x+3/2, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, -z+3/2', 'x, -z+3/2, y', 'x, z, -y+3/2'], ['x, y, z', 'x, -y+1/2, -z+3/2', 'x, z-1/2, -y+1', 'x, -z+1, y+1/2'], ['x, y, z', '-z+3/2, y, x', '-x+3/2, y, -z+3/2', 'z, y, -x+3/2'], ['x, y, z', 'z+1/2, y, -x+1', '-x+3/2, y, -z+1/2', '-z+1, y, x-1/2'], ['x, y, z', '-y+3/2, x, z', 'y, -x+3/2, z', '-x+3/2, -y+3/2, z'], ['x, y, z', 'y-1/2, -x+1, z', '-y+1, x+1/2, z', '-x+1/2, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, -z+3/2', 'x, -z+3/2, y', 'x, z, -y+3/2'], ['x, y, z', 'x, -y+5/2, -z+3/2', 'x, z+1/2, -y+2', 'x, -z+2, y-1/2'], ['x, y, z', 'z-1/2, y, -x+1', '-x+1/2, y, -z+3/2', '-z+1, y, x+1/2'], ['x, y, z', '-z+3/2, y, x+1', '-x+1/2, y, -z+5/2', 'z-1, y, -x+3/2'], ['x, y, z', 'y-1/2, -x+1, z', '-y+1, x+1/2, z', '-x+1/2, -y+3/2, z'], ['x, y, z', '-y+3/2, x, z', 'y, -x+3/2, z', '-x+3/2, -y+3/2, z'], ['x, y, z', 'x, -y+5/2, -z+5/2', 'x, -z+5/2, y', 'x, z, -y+5/2'], ['x, y, z', 'x, -y+3/2, -z+5/2', 'x, z-1/2, -y+2', 'x, -z+2, y+1/2'], ['x, y, z', 'z-1/2, y, -x+2', '-x+3/2, y, -z+5/2', '-z+2, y, x+1/2'], ['x, y, z', '-z+3/2, y, x', '-x+3/2, y, -z+3/2', 'z, y, -x+3/2'], ['x, y, z', 'y-1/2, -x+2, z', '-y+2, x+1/2, z', '-x+3/2, -y+5/2, z'], ['x, y, z', '-y+3/2, x+1, z', 'y-1, -x+3/2, z', '-x+1/2, -y+5/2, z'], ['x, y, z', 'x, -y+1/2, -z+3/2', 'x, z-1/2, -y+1', 'x, -z+1, y+1/2'], ['x, y, z', 'x, -y+3/2, -z+3/2', 'x, -z+3/2, y', 'x, z, -y+3/2'], ['x, y, z', '-z+3/2, y, x', '-x+3/2, y, -z+3/2', 'z, y, -x+3/2'], ['x, y, z', 'z-1/2, y, -x+2', '-x+3/2, y, -z+5/2', '-z+2, y, x+1/2'], ['x, y, z', 'y+1/2, -x+1, z', '-y+1, x-1/2, z', '-x+3/2, -y+1/2, z'], ['x, y, z', '-y+3/2, x-1, z', 'y+1, -x+3/2, z', '-x+5/2, -y+1/2, z'], ['x, y, z', 'x, -y+3/2, -z+5/2', 'x, z-1/2, -y+2', 'x, -z+2, y+1/2'], ['x, y, z', 'x, -y+1/2, -z+5/2', 'x, -z+3/2, y+1', 'x, z-1, -y+3/2'], ['x, y, z', '-z+5/2, y, x', '-x+5/2, y, -z+5/2', 'z, y, -x+5/2'], ['x, y, z', 'z+1/2, y, -x+2', '-x+5/2, y, -z+3/2', '-z+2, y, x-1/2'], ['x, y, z', 'y+1/2, -x+2, z', '-y+2, x-1/2, z', '-x+5/2, -y+3/2, z'], ['x, y, z', '-y+3/2, x, z', 'y, -x+3/2, z', '-x+3/2, -y+3/2, z'], ['x, y, z', 'x, -y+3/2, -z+1/2', 'x, z+1/2, -y+1', 'x, -z+1, y-1/2'], ['x, y, z', 'x, -y+5/2, -z+1/2', 'x, -z+3/2, y-1', 'x, z+1, -y+3/2'], ['x, y, z', 'z+1/2, y, -x+1', '-x+3/2, y, -z+1/2', '-z+1, y, x-1/2'], ['x, y, z', '-z+3/2, y, x', '-x+3/2, y, -z+3/2', 'z, y, -x+3/2'], ['x, y, z', '-y+3/2, x, z', 'y, -x+3/2, z', '-x+3/2, -y+3/2, z'], ['x, y, z', 'y+1/2, -x+2, z', '-y+2, x-1/2, z', '-x+5/2, -y+3/2, z'], ['x, y, z', 'x, -y+5/2, -z+3/2', 'x, z+1/2, -y+2', 'x, -z+2, y-1/2'], ['x, y, z', 'x, -y+3/2, -z+3/2', 'x, -z+3/2, y', 'x, z, -y+3/2'], ['x, y, z', 'z+1/2, y, -x+2', '-x+5/2, y, -z+3/2', '-z+2, y, x-1/2'], ['x, y, z', '-z+3/2, y, x-1', '-x+5/2, y, -z+1/2', 'z+1, y, -x+3/2'], ['x, y, z', '-y+5/2, x, z', 'y, -x+5/2, z', '-x+5/2, -y+5/2, z'], ['x, y, z', 'y-1/2, -x+2, z', '-y+2, x+1/2, z', '-x+3/2, -y+5/2, z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x, y, -z+1', 'x, y, -z+1', '-x, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z'], ['x, y, z', '-x+1, y, -z+2', 'x, y, -z+2', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z+2', 'x, y, -z+2', '-x+1, y, z'], ['x, y, z', 'x, -y+2, -z+2', 'x, y, -z+2', 'x, -y+2, z'], ['x, y, z', 'x, -y+2, -z+2', 'x, y, -z+2', 'x, -y+2, z'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y, z', 'x, -y, z', '-x+1, y, z'], ['x, y, z', '-x+2, y, -z+2', 'x, y, -z+2', '-x+2, y, z'], ['x, y, z', '-x+2, y, -z+2', 'x, y, -z+2', '-x+2, y, z'], ['x, y, z', 'x, -y+1, -z+2', 'x, y, -z+2', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z+2', 'x, y, -z+2', 'x, -y+1, z'], ['x, y, z', '-x+2, -y+1, z', 'x, -y+1, z', '-x+2, y, z'], ['x, y, z', '-x+2, -y+1, z', 'x, -y+1, z', '-x+2, y, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', 'x, -y+1, -z', 'x, y, -z', 'x, -y+1, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z'], ['x, y, z', '-x+2, y, -z+1', 'x, y, -z+1', '-x+2, y, z'], ['x, y, z', '-x+2, y, -z+1', 'x, y, -z+1', '-x+2, y, z'], ['x, y, z', 'x, -y+2, -z+1', 'x, y, -z+1', 'x, -y+2, z'], ['x, y, z', 'x, -y+2, -z+1', 'x, y, -z+1', 'x, -y+2, z'], ['x, y, z', '-x+2, -y+2, z', 'x, -y+2, z', '-x+2, y, z'], ['x, y, z', '-x+2, -y+2, z', 'x, -y+2, z', '-x+2, y, z']], [['x, y, z', '-x, y, z', 'x, -y+1/2, -z+1/2', '-x, -y+1/2, -z+1/2', 'x, -z+1/2, y', '-x, -z+1/2, y', 'x, z, -y+1/2', '-x, z, -y+1/2'], ['x, y, z', '-x, y, z', 'x, -y+3/2, -z+1/2', '-x, -y+3/2, -z+1/2', 'x, z+1/2, -y+1', '-x, z+1/2, -y+1', 'x, -z+1, y-1/2', '-x, -z+1, y-1/2'], ['x, y, z', 'x, -y, z', '-z+1/2, y, x', '-z+1/2, -y, x', '-x+1/2, y, -z+1/2', '-x+1/2, -y, -z+1/2', 'z, y, -x+1/2', 'z, -y, -x+1/2'], ['x, y, z', 'x, -y, z', 'z-1/2, y, -x+1', 'z-1/2, -y, -x+1', '-x+1/2, y, -z+3/2', '-x+1/2, -y, -z+3/2', '-z+1, y, x+1/2', '-z+1, -y, x+1/2'], ['x, y, z', 'x, y, -z', '-y+1/2, x, z', '-y+1/2, x, -z', 'y, -x+1/2, z', 'y, -x+1/2, -z', '-x+1/2, -y+1/2, z', '-x+1/2, -y+1/2, -z'], ['x, y, z', 'x, y, -z', 'y+1/2, -x+1, z', 'y+1/2, -x+1, -z', '-y+1, x-1/2, z', '-y+1, x-1/2, -z', '-x+3/2, -y+1/2, z', '-x+3/2, -y+1/2, -z'], ['x, y, z', '-x, y, z', 'x, -y+3/2, -z+3/2', '-x, -y+3/2, -z+3/2', 'x, -z+3/2, y', '-x, -z+3/2, y', 'x, z, -y+3/2', '-x, z, -y+3/2'], ['x, y, z', '-x, y, z', 'x, -y+5/2, -z+3/2', '-x, -y+5/2, -z+3/2', 'x, z+1/2, -y+2', '-x, z+1/2, -y+2', 'x, -z+2, y-1/2', '-x, -z+2, y-1/2'], ['x, y, z', 'x, -y+1, z', 'z-1/2, y, -x+1', 'z-1/2, -y+1, -x+1', '-x+1/2, y, -z+3/2', '-x+1/2, -y+1, -z+3/2', '-z+1, y, x+1/2', '-z+1, -y+1, x+1/2'], ['x, y, z', 'x, -y+1, z', '-z+3/2, y, x+1', '-z+3/2, -y+1, x+1', '-x+1/2, y, -z+5/2', '-x+1/2, -y+1, -z+5/2', 'z-1, y, -x+3/2', 'z-1, -y+1, -x+3/2'], ['x, y, z', 'x, y, -z+1', 'y-1/2, -x+1, z', 'y-1/2, -x+1, -z+1', '-y+1, x+1/2, z', '-y+1, x+1/2, -z+1', '-x+1/2, -y+3/2, z', '-x+1/2, -y+3/2, -z+1'], ['x, y, z', 'x, y, -z+1', '-y+3/2, x, z', '-y+3/2, x, -z+1', 'y, -x+3/2, z', 'y, -x+3/2, -z+1', '-x+3/2, -y+3/2, z', '-x+3/2, -y+3/2, -z+1'], ['x, y, z', '-x+1, y, z', 'x, -y+1/2, -z+3/2', '-x+1, -y+1/2, -z+3/2', 'x, z-1/2, -y+1', '-x+1, z-1/2, -y+1', 'x, -z+1, y+1/2', '-x+1, -z+1, y+1/2'], ['x, y, z', '-x+1, y, z', 'x, -y+3/2, -z+3/2', '-x+1, -y+3/2, -z+3/2', 'x, -z+3/2, y', '-x+1, -z+3/2, y', 'x, z, -y+3/2', '-x+1, z, -y+3/2'], ['x, y, z', 'x, -y, z', '-z+3/2, y, x', '-z+3/2, -y, x', '-x+3/2, y, -z+3/2', '-x+3/2, -y, -z+3/2', 'z, y, -x+3/2', 'z, -y, -x+3/2'], ['x, y, z', 'x, -y, z', 'z-1/2, y, -x+2', 'z-1/2, -y, -x+2', '-x+3/2, y, -z+5/2', '-x+3/2, -y, -z+5/2', '-z+2, y, x+1/2', '-z+2, -y, x+1/2'], ['x, y, z', 'x, y, -z+1', 'y+1/2, -x+1, z', 'y+1/2, -x+1, -z+1', '-y+1, x-1/2, z', '-y+1, x-1/2, -z+1', '-x+3/2, -y+1/2, z', '-x+3/2, -y+1/2, -z+1'], ['x, y, z', 'x, y, -z+1', '-y+3/2, x-1, z', '-y+3/2, x-1, -z+1', 'y+1, -x+3/2, z', 'y+1, -x+3/2, -z+1', '-x+5/2, -y+1/2, z', '-x+5/2, -y+1/2, -z+1'], ['x, y, z', '-x+1, y, z', 'x, -y+3/2, -z+1/2', '-x+1, -y+3/2, -z+1/2', 'x, z+1/2, -y+1', '-x+1, z+1/2, -y+1', 'x, -z+1, y-1/2', '-x+1, -z+1, y-1/2'], ['x, y, z', '-x+1, y, z', 'x, -y+5/2, -z+1/2', '-x+1, -y+5/2, -z+1/2', 'x, -z+3/2, y-1', '-x+1, -z+3/2, y-1', 'x, z+1, -y+3/2', '-x+1, z+1, -y+3/2'], ['x, y, z', 'x, -y+1, z', 'z+1/2, y, -x+1', 'z+1/2, -y+1, -x+1', '-x+3/2, y, -z+1/2', '-x+3/2, -y+1, -z+1/2', '-z+1, y, x-1/2', '-z+1, -y+1, x-1/2'], ['x, y, z', 'x, -y+1, z', '-z+3/2, y, x', '-z+3/2, -y+1, x', '-x+3/2, y, -z+3/2', '-x+3/2, -y+1, -z+3/2', 'z, y, -x+3/2', 'z, -y+1, -x+3/2'], ['x, y, z', 'x, y, -z', '-y+3/2, x, z', '-y+3/2, x, -z', 'y, -x+3/2, z', 'y, -x+3/2, -z', '-x+3/2, -y+3/2, z', '-x+3/2, -y+3/2, -z'], ['x, y, z', 'x, y, -z', 'y+1/2, -x+2, z', 'y+1/2, -x+2, -z', '-y+2, x-1/2, z', '-y+2, x-1/2, -z', '-x+5/2, -y+3/2, z', '-x+5/2, -y+3/2, -z']], [['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z', '-x+1/2, z, y', '-x+1/2, -z, -y', '-x+1/2, -z, y', '-x+1/2, z, -y'], ['x, y, z', 'x, -y, -z', 'x, y, -z', 'x, -y, z', '-x+3/2, z, y', '-x+3/2, -z, -y', '-x+3/2, -z, y', '-x+3/2, z, -y'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z', 'z, -y+1/2, x', '-z, -y+1/2, -x', '-z, -y+1/2, x', 'z, -y+1/2, -x'], ['x, y, z', '-x, y, -z', 'x, y, -z', '-x, y, z', 'z, -y+3/2, x', '-z, -y+3/2, -x', '-z, -y+3/2, x', 'z, -y+3/2, -x'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z', 'y, x, -z+1/2', '-y, -x, -z+1/2', '-y, x, -z+1/2', 'y, -x, -z+1/2'], ['x, y, z', '-x, -y, z', 'x, -y, z', '-x, y, z', 'y, x, -z+3/2', '-y, -x, -z+3/2', '-y, x, -z+3/2', 'y, -x, -z+3/2'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x+1/2, z, y', '-x+1/2, -z+1, -y+1', '-x+1/2, -z+1, y', '-x+1/2, z, -y+1'], ['x, y, z', 'x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x+3/2, z, y', '-x+3/2, -z+1, -y+1', '-x+3/2, -z+1, y', '-x+3/2, z, -y+1'], ['x, y, z', '-x, y, -z+1', 'z-1/2, -y+3/2, x+1/2', '-z+1/2, -y+3/2, -x+1/2', 'x, y, -z+1', '-x, y, z', '-z+1/2, -y+3/2, x+1/2', 'z-1/2, -y+3/2, -x+1/2'], ['x, y, z', '-x, y, -z+1', 'z-1/2, -y+5/2, x+1/2', '-z+1/2, -y+5/2, -x+1/2', 'x, y, -z+1', '-x, y, z', '-z+1/2, -y+5/2, x+1/2', 'z-1/2, -y+5/2, -x+1/2'], ['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z+3/2', '-y+1/2, -x+1/2, -z+3/2', 'x, -y+1, z', '-x, y, z', '-y+1/2, x+1/2, -z+3/2', 'y-1/2, -x+1/2, -z+3/2'], ['x, y, z', '-x, -y+1, z', 'y-1/2, x+1/2, -z+5/2', '-y+1/2, -x+1/2, -z+5/2', 'x, -y+1, z', '-x, y, z', '-y+1/2, x+1/2, -z+5/2', 'y-1/2, -x+1/2, -z+5/2'], ['x, y, z', 'x, -y, -z+1', '-x+3/2, z-1/2, y+1/2', '-x+3/2, -z+1/2, -y+1/2', 'x, y, -z+1', 'x, -y, z', '-x+3/2, -z+1/2, y+1/2', '-x+3/2, z-1/2, -y+1/2'], ['x, y, z', 'x, -y, -z+1', '-x+5/2, z-1/2, y+1/2', '-x+5/2, -z+1/2, -y+1/2', 'x, y, -z+1', 'x, -y, z', '-x+5/2, -z+1/2, y+1/2', '-x+5/2, z-1/2, -y+1/2'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z', 'z, -y+1/2, x', '-z+1, -y+1/2, -x+1', '-z+1, -y+1/2, x', 'z, -y+1/2, -x+1'], ['x, y, z', '-x+1, y, -z+1', 'x, y, -z+1', '-x+1, y, z', 'z, -y+3/2, x', '-z+1, -y+3/2, -x+1', '-z+1, -y+3/2, x', 'z, -y+3/2, -x+1'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z+3/2', '-y+1/2, -x+1/2, -z+3/2', 'x, -y, z', '-x+1, y, z', '-y+1/2, x-1/2, -z+3/2', 'y+1/2, -x+1/2, -z+3/2'], ['x, y, z', '-x+1, -y, z', 'y+1/2, x-1/2, -z+5/2', '-y+1/2, -x+1/2, -z+5/2', 'x, -y, z', '-x+1, y, z', '-y+1/2, x-1/2, -z+5/2', 'y+1/2, -x+1/2, -z+5/2'], ['x, y, z', 'x, -y+1, -z', '-x+3/2, z+1/2, y-1/2', '-x+3/2, -z+1/2, -y+1/2', 'x, y, -z', 'x, -y+1, z', '-x+3/2, -z+1/2, y-1/2', '-x+3/2, z+1/2, -y+1/2'], ['x, y, z', 'x, -y+1, -z', '-x+5/2, z+1/2, y-1/2', '-x+5/2, -z+1/2, -y+1/2', 'x, y, -z', 'x, -y+1, z', '-x+5/2, -z+1/2, y-1/2', '-x+5/2, z+1/2, -y+1/2'], ['x, y, z', '-x+1, y, -z', 'z+1/2, -y+3/2, x-1/2', '-z+1/2, -y+3/2, -x+1/2', 'x, y, -z', '-x+1, y, z', '-z+1/2, -y+3/2, x-1/2', 'z+1/2, -y+3/2, -x+1/2'], ['x, y, z', '-x+1, y, -z', 'z+1/2, -y+5/2, x-1/2', '-z+1/2, -y+5/2, -x+1/2', 'x, y, -z', '-x+1, y, z', '-z+1/2, -y+5/2, x-1/2', 'z+1/2, -y+5/2, -x+1/2'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z', 'y, x, -z+1/2', '-y+1, -x+1, -z+1/2', '-y+1, x, -z+1/2', 'y, -x+1, -z+1/2'], ['x, y, z', '-x+1, -y+1, z', 'x, -y+1, z', '-x+1, y, z', 'y, x, -z+3/2', '-y+1, -x+1, -z+3/2', '-y+1, x, -z+3/2', 'y, -x+1, -z+3/2']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', '-z, -x, -y', '-z, x, y', 'z, x, -y', 'z, -x, y', '-y, -z, -x', 'y, -z, x', '-y, z, x', 'y, z, -x'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x+1, y, z', '-z+1, -x+1, -y+1', '-z+1, x, y', 'z, x, -y+1', 'z, -x+1, y', '-y+1, -z+1, -x+1', 'y, -z+1, x', '-y+1, z, x', 'y, z, -x+1'], ['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', '-x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x, y, z', 'y-1/2, z, x+1/2', '-y+1/2, z, -x+1/2', 'y-1/2, -z+1, -x+1/2', '-y+1/2, -z+1, x+1/2', '-y+1/2, -z+1, -x+1/2', 'y-1/2, -z+1, x+1/2', '-y+1/2, z, x+1/2', 'y-1/2, z, -x+1/2', 'z-1/2, x+1/2, y', 'z-1/2, -x+1/2, -y+1', '-z+1/2, -x+1/2, y', '-z+1/2, x+1/2, -y+1', '-z+1/2, -x+1/2, -y+1', '-z+1/2, x+1/2, y', 'z-1/2, x+1/2, -y+1', 'z-1/2, -x+1/2, y'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+2', 'x, -y+2, -z+2', '-x+1, -y+2, -z+2', 'x, y, -z+2', 'x, -y+2, z', '-x+1, y, z', 'y-1/2, z, x+1/2', '-y+3/2, z, -x+3/2', 'y-1/2, -z+2, -x+3/2', '-y+3/2, -z+2, x+1/2', '-y+3/2, -z+2, -x+3/2', 'y-1/2, -z+2, x+1/2', '-y+3/2, z, x+1/2', 'y-1/2, z, -x+3/2', 'z-1/2, x+1/2, y', 'z-1/2, -x+3/2, -y+2', '-z+3/2, -x+3/2, y', '-z+3/2, x+1/2, -y+2', '-z+3/2, -x+3/2, -y+2', '-z+3/2, x+1/2, y', 'z-1/2, x+1/2, -y+2', 'z-1/2, -x+3/2, y'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', '-x+1, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x+1, y, z', 'z, x-1/2, y+1/2', 'z, -x+1/2, -y+1/2', '-z+1, -x+1/2, y+1/2', '-z+1, x-1/2, -y+1/2', '-z+1, -x+1/2, -y+1/2', '-z+1, x-1/2, y+1/2', 'z, x-1/2, -y+1/2', 'z, -x+1/2, y+1/2', 'y+1/2, z-1/2, x', '-y+1/2, z-1/2, -x+1', 'y+1/2, -z+1/2, -x+1', '-y+1/2, -z+1/2, x', '-y+1/2, -z+1/2, -x+1', 'y+1/2, -z+1/2, x', '-y+1/2, z-1/2, x', 'y+1/2, z-1/2, -x+1'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+2', 'x, -y+1, -z+2', '-x+2, -y+1, -z+2', 'x, y, -z+2', 'x, -y+1, z', '-x+2, y, z', 'z, x-1/2, y+1/2', 'z, -x+3/2, -y+3/2', '-z+2, -x+3/2, y+1/2', '-z+2, x-1/2, -y+3/2', '-z+2, -x+3/2, -y+3/2', '-z+2, x-1/2, y+1/2', 'z, x-1/2, -y+3/2', 'z, -x+3/2, y+1/2', 'y+1/2, z-1/2, x', '-y+3/2, z-1/2, -x+2', 'y+1/2, -z+3/2, -x+2', '-y+3/2, -z+3/2, x', '-y+3/2, -z+3/2, -x+2', 'y+1/2, -z+3/2, x', '-y+3/2, z-1/2, x', 'y+1/2, z-1/2, -x+2'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', '-x+1, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x+1, y, z', 'y, z+1/2, x-1/2', '-y+1, z+1/2, -x+1/2', 'y, -z+1/2, -x+1/2', '-y+1, -z+1/2, x-1/2', '-y+1, -z+1/2, -x+1/2', 'y, -z+1/2, x-1/2', '-y+1, z+1/2, x-1/2', 'y, z+1/2, -x+1/2', 'z+1/2, x, y-1/2', 'z+1/2, -x+1, -y+1/2', '-z+1/2, -x+1, y-1/2', '-z+1/2, x, -y+1/2', '-z+1/2, -x+1, -y+1/2', '-z+1/2, x, y-1/2', 'z+1/2, x, -y+1/2', 'z+1/2, -x+1, y-1/2'], ['x, y, z', '-x+2, -y+2, z', '-x+2, y, -z+1', 'x, -y+2, -z+1', '-x+2, -y+2, -z+1', 'x, y, -z+1', 'x, -y+2, z', '-x+2, y, z', 'y, z+1/2, x-1/2', '-y+2, z+1/2, -x+3/2', 'y, -z+3/2, -x+3/2', '-y+2, -z+3/2, x-1/2', '-y+2, -z+3/2, -x+3/2', 'y, -z+3/2, x-1/2', '-y+2, z+1/2, x-1/2', 'y, z+1/2, -x+3/2', 'z+1/2, x, y-1/2', 'z+1/2, -x+2, -y+3/2', '-z+3/2, -x+2, y-1/2', '-z+3/2, x, -y+3/2', '-z+3/2, -x+2, -y+3/2', '-z+3/2, x, y-1/2', 'z+1/2, x, -y+3/2', 'z+1/2, -x+2, y-1/2']], [['x, y, z', 'z, x, y', 'y, z, x', '-y+1/2, -x+1/2, -z+1/2', '-x+1/2, -z+1/2, -y+1/2', '-z+1/2, -y+1/2, -x+1/2', 'x, -y+1/2, -z+1/2', 'z, -x+1/2, -y+1/2', 'y, -z+1/2, -x+1/2', '-y+1/2, x, z', '-x+1/2, z, y', '-z+1/2, y, x', '-x+1/2, y, -z+1/2', '-z+1/2, x, -y+1/2', '-y+1/2, z, -x+1/2', 'y, -x+1/2, z', 'x, -z+1/2, y', 'z, -y+1/2, x', '-x+1/2, -y+1/2, z', '-z+1/2, -x+1/2, y', '-y+1/2, -z+1/2, x', 'y, x, -z+1/2', 'x, z, -y+1/2', 'z, y, -x+1/2'], ['x, y, z', 'z, x, y', 'y, z, x', '-y+3/2, -x+3/2, -z+3/2', '-x+3/2, -z+3/2, -y+3/2', '-z+3/2, -y+3/2, -x+3/2', 'x, -y+3/2, -z+3/2', 'z, -x+3/2, -y+3/2', 'y, -z+3/2, -x+3/2', '-y+3/2, x, z', '-x+3/2, z, y', '-z+3/2, y, x', '-x+3/2, y, -z+3/2', '-z+3/2, x, -y+3/2', '-y+3/2, z, -x+3/2', 'y, -x+3/2, z', 'x, -z+3/2, y', 'z, -y+3/2, x', '-x+3/2, -y+3/2, z', '-z+3/2, -x+3/2, y', '-y+3/2, -z+3/2, x', 'y, x, -z+3/2', 'x, z, -y+3/2', 'z, y, -x+3/2'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1', 'y-1/2, x+1/2, -z+3/2', '-x+1/2, -z+3/2, -y+3/2', 'z-1/2, -y+3/2, x+1/2', 'x, -y+3/2, -z+3/2', '-z+1, x+1/2, -y+3/2', '-y+1, -z+3/2, x+1/2', 'y-1/2, -x+1, z', '-x+1/2, z, y', 'z-1/2, y, -x+1', '-x+1/2, y, -z+3/2', 'z-1/2, -x+1, -y+3/2', 'y-1/2, z, x+1/2', '-y+1, x+1/2, z', 'x, -z+3/2, y', '-z+1, -y+3/2, -x+1', '-x+1/2, -y+3/2, z', 'z-1/2, x+1/2, y', 'y-1/2, -z+3/2, -x+1', '-y+1, -x+1, -z+3/2', 'x, z, -y+3/2', '-z+1, y, x+1/2'], ['x, y, z', '-z+2, -x+2, y', '-y+2, z, -x+2', 'y-1/2, x+1/2, -z+5/2', '-x+3/2, -z+5/2, -y+5/2', 'z-1/2, -y+5/2, x+1/2', 'x, -y+5/2, -z+5/2', '-z+2, x+1/2, -y+5/2', '-y+2, -z+5/2, x+1/2', 'y-1/2, -x+2, z', '-x+3/2, z, y', 'z-1/2, y, -x+2', '-x+3/2, y, -z+5/2', 'z-1/2, -x+2, -y+5/2', 'y-1/2, z, x+1/2', '-y+2, x+1/2, z', 'x, -z+5/2, y', '-z+2, -y+5/2, -x+2', '-x+3/2, -y+5/2, z', 'z-1/2, x+1/2, y', 'y-1/2, -z+5/2, -x+2', '-y+2, -x+2, -z+5/2', 'x, z, -y+5/2', '-z+2, y, x+1/2'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x', 'y+1/2, x-1/2, -z+3/2', '-x+3/2, z-1/2, y+1/2', '-z+3/2, -y+1/2, -x+3/2', 'x, -y+1/2, -z+3/2', 'z, x-1/2, y+1/2', '-y+1, z-1/2, -x+3/2', 'y+1/2, -x+1, z', '-x+3/2, -z+1, -y+1', '-z+3/2, y, x', '-x+3/2, y, -z+3/2', '-z+3/2, -x+1, y+1/2', 'y+1/2, -z+1, -x+3/2', '-y+1, x-1/2, z', 'x, z-1/2, -y+1', 'z, -y+1/2, x', '-x+3/2, -y+1/2, z', '-z+3/2, x-1/2, -y+1', 'y+1/2, z-1/2, x', '-y+1, -x+1, -z+3/2', 'x, -z+1, y+1/2', 'z, y, -x+3/2'], ['x, y, z', 'z, -x+2, -y+2', '-y+2, -z+2, x', 'y+1/2, x-1/2, -z+5/2', '-x+5/2, z-1/2, y+1/2', '-z+5/2, -y+3/2, -x+5/2', 'x, -y+3/2, -z+5/2', 'z, x-1/2, y+1/2', '-y+2, z-1/2, -x+5/2', 'y+1/2, -x+2, z', '-x+5/2, -z+2, -y+2', '-z+5/2, y, x', '-x+5/2, y, -z+5/2', '-z+5/2, -x+2, y+1/2', 'y+1/2, -z+2, -x+5/2', '-y+2, x-1/2, z', 'x, z-1/2, -y+2', 'z, -y+3/2, x', '-x+5/2, -y+3/2, z', '-z+5/2, x-1/2, -y+2', 'y+1/2, z-1/2, x', '-y+2, -x+2, -z+5/2', 'x, -z+2, y+1/2', 'z, y, -x+5/2'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', '-y+3/2, -x+3/2, -z+1/2', '-x+3/2, z+1/2, y-1/2', 'z+1/2, -y+3/2, x-1/2', 'x, -y+3/2, -z+1/2', '-z+1, -x+3/2, y-1/2', 'y, z+1/2, x-1/2', '-y+3/2, x, z', '-x+3/2, -z+1, -y+1', 'z+1/2, y, -x+1', '-x+3/2, y, -z+1/2', 'z+1/2, x, y-1/2', '-y+3/2, -z+1, x-1/2', 'y, -x+3/2, z', 'x, z+1/2, -y+1', '-z+1, -y+3/2, -x+1', '-x+3/2, -y+3/2, z', 'z+1/2, -x+3/2, -y+1', '-y+3/2, z+1/2, -x+1', 'y, x, -z+1/2', 'x, -z+1, y-1/2', '-z+1, y, x-1/2'], ['x, y, z', '-z+2, x, -y+2', 'y, -z+2, -x+2', '-y+5/2, -x+5/2, -z+3/2', '-x+5/2, z+1/2, y-1/2', 'z+1/2, -y+5/2, x-1/2', 'x, -y+5/2, -z+3/2', '-z+2, -x+5/2, y-1/2', 'y, z+1/2, x-1/2', 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['x, y, z', 'y, x, z'], ['x, y, z', '-y+5/4, -x+5/4, z'], ['x, y, z', '-y+7/4, -x+7/4, z'], ['x, y, z', 'x, z, y'], ['x, y, z', 'x, z+1/2, y-1/2'], ['x, y, z', 'x, -z+7/4, -y+7/4'], ['x, y, z', 'x, -z+9/4, -y+9/4'], ['x, y, z', 'z-1/2, y, x+1/2'], ['x, y, z', 'z-1, y, x+1'], ['x, y, z', '-z+5/4, y, -x+5/4'], ['x, y, z', '-z+7/4, y, -x+7/4'], ['x, y, z', 'y, x, z'], ['x, y, z', 'y-1/2, x+1/2, z'], ['x, y, z', '-y+5/4, -x+5/4, z'], ['x, y, z', '-y+7/4, -x+7/4, z'], ['x, y, z', '-z+7/4, y, -x+7/4'], ['x, y, z', '-z+5/4, y, -x+5/4'], ['x, y, z', 'z-1/2, y, x+1/2'], ['x, y, z', 'z-1, y, x+1'], ['x, y, z', 'x, -z+7/4, -y+7/4'], ['x, y, z', 'x, -z+9/4, -y+9/4'], ['x, y, z', 'x, z+1/2, y-1/2'], ['x, y, z', 'x, z, y'], ['x, y, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'y+1, x-1, z'], ['x, y, z', '-y+5/4, -x+5/4, z'], ['x, y, z', '-y+7/4, -x+7/4, z'], ['x, y, z', 'x, z-1/2, y+1/2'], ['x, y, z', 'x, z, y'], ['x, y, z', 'x, -z+5/4, -y+5/4'], ['x, y, z', 'x, -z+7/4, -y+7/4'], ['x, y, z', 'z, y, x'], ['x, 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z'], ['x, y, z', 'y, x, z', '-x+3/4, -y+3/4, z', '-y+3/4, -x+3/4, z'], ['x, y, z', 'x, z, y', 'x, -z+5/4, -y+5/4', 'x, -y+5/4, -z+5/4'], ['x, y, z', 'x, z-1/2, y+1/2', 'x, -y+5/4, -z+9/4', 'x, -z+7/4, -y+7/4'], ['x, y, z', '-x+1/4, y, -z+5/4', '-z+3/4, y, -x+3/4', 'z-1/2, y, x+1/2'], ['x, y, z', 'z, y, x', '-x+5/4, y, -z+5/4', '-z+5/4, y, -x+5/4'], ['x, y, z', '-x+1/4, -y+5/4, z', '-y+3/4, -x+3/4, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'y-1, x+1, z', '-y+5/4, -x+5/4, z', '-x+1/4, -y+9/4, z'], ['x, y, z', 'z, y, x', '-z+7/4, y, -x+7/4', '-x+7/4, y, -z+7/4'], ['x, y, z', 'z-1/2, y, x+1/2', '-x+7/4, y, -z+11/4', '-z+9/4, y, -x+9/4'], ['x, y, z', 'x, z, y', 'x, -y+7/4, -z+7/4', 'x, -z+7/4, -y+7/4'], ['x, y, z', 'x, z+1/2, y-1/2', 'x, -y+11/4, -z+7/4', 'x, -z+9/4, -y+9/4'], ['x, y, z', 'y, x, z', '-x+7/4, -y+7/4, z', '-y+7/4, -x+7/4, z'], ['x, y, z', '-x+3/4, -y+7/4, z', '-y+5/4, -x+5/4, z', 'y-1/2, x+1/2, z'], ['x, y, z', 'x, z-1/2, y+1/2', 'x, -y+1/4, -z+5/4', 'x, -z+3/4, -y+3/4'], ['x, y, z', 'x, z-1, y+1', 'x, -z+5/4, -y+5/4', 'x, -y+1/4, -z+9/4'], ['x, y, z', 'z, y, x', '-x+5/4, y, -z+5/4', '-z+5/4, y, -x+5/4'], ['x, y, z', '-x+9/4, y, -z+5/4', '-z+7/4, y, -x+7/4', 'z+1/2, y, x-1/2'], ['x, y, z', '-x+5/4, -y+1/4, z', '-y+3/4, -x+3/4, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'y, x, z', '-y+5/4, -x+5/4, z', '-x+5/4, -y+5/4, z'], ['x, y, z', 'z+1/2, y, x-1/2', '-x+11/4, y, -z+7/4', '-z+9/4, y, -x+9/4'], ['x, y, z', 'z, y, x', '-z+11/4, y, -x+11/4', '-x+11/4, y, -z+11/4'], ['x, y, z', 'x, z-1/2, y+1/2', 'x, -y+3/4, -z+7/4', 'x, -z+5/4, -y+5/4'], ['x, y, z', 'x, z, y', 'x, -y+7/4, -z+7/4', 'x, -z+7/4, -y+7/4'], ['x, y, z', 'y+1, x-1, z', '-x+11/4, -y+3/4, z', '-y+7/4, -x+7/4, z'], ['x, y, z', '-x+7/4, -y+3/4, z', '-y+5/4, -x+5/4, z', 'y+1/2, x-1/2, z'], ['x, y, z', 'x, z+1/2, y-1/2', 'x, -y+5/4, -z+1/4', 'x, -z+3/4, -y+3/4'], ['x, y, z', 'x, z, y', 'x, -z+5/4, -y+5/4', 'x, -y+5/4, -z+5/4'], ['x, y, z', '-x+5/4, y, -z+1/4', '-z+3/4, y, -x+3/4', 'z+1/2, y, x-1/2'], ['x, y, z', 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'-z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-z+3/4, x+1/2, -y+5/4', 'y-1/2, -z+5/4, -x+3/4', '-y+1/2, -x+1/2, -z+3/2', '-x, z-1/4, y+1/4', 'z-3/4, -y+1, x+3/4'], ['x, y, z', 'z+1/2, -x+5/4, -y+3/4', '-y+5/4, -z+3/4, x-1/2', 'y-1/4, x+1/4, -z', '-x+1, z+3/4, y-3/4', '-z+1/2, -y+3/2, -x+1/2'], ['x, y, z', '-z+5/4, -x+3/4, y+1/2', '-y+3/4, z-1/2, -x+5/4', 'y+3/4, x-3/4, -z+1', '-x+3/2, -z+1/2, -y+1/2', 'z+1/4, -y, x-1/4'], ['x, y, z', 'z, x, y', 'y, z, x', '-y+3/2, -x+3/2, -z+3/2', '-x+3/2, -z+3/2, -y+3/2', '-z+3/2, -y+3/2, -x+3/2'], ['x, y, z', '-y+1/2, -x+1/2, -z+1/2', 'y-1/2, -z+3/4, -x+1/4', '-x, z+1/4, y-1/4', '-z+1/4, x+1/2, -y+3/4', 'z-1/4, -y+1, x+1/4'], ['x, y, z', '-z+1/2, -y+1/2, -x+1/2', 'z+1/2, -x+3/4, -y+1/4', '-x+1, z+1/4, y-1/4', '-y+3/4, -z+1/4, x-1/2', 'y+1/4, x-1/4, -z'], ['x, y, z', '-x+1/2, -z+1/2, -y+1/2', '-y+1/4, z-1/2, -x+3/4', 'z-1/4, -y, x+1/4', '-z+3/4, -x+1/4, y+1/2', 'y+1/4, x-1/4, -z+1'], ['x, y, z', '-x+1/2, -z+3/2, -y+3/2', 'y-1/2, z, x+1/2', '-z+1, -y+3/2, -x+1', 'z-1/2, x+1/2, y', '-y+1, -x+1, -z+3/2'], ['x, y, z', '-x, z-1/4, y+1/4', 'y-1, -z+9/4, -x+5/4', 'z-5/4, -y+2, x+5/4', '-z+5/4, x+1, -y+9/4', '-y+1, -x+1, -z+5/2'], ['x, y, z', '-x+1, z+3/4, y-3/4', '-y+7/4, -z+7/4, x', '-z+1, -y+5/2, -x+1', 'z, -x+7/4, -y+7/4', 'y-3/4, x+3/4, -z+1'], ['x, y, z', '-x+3/2, -z+3/2, -y+3/2', '-y+5/4, z-1/2, -x+7/4', 'z-1/4, -y+1, x+1/4', '-z+7/4, -x+5/4, y+1/2', 'y+1/4, x-1/4, -z+2'], ['x, y, z', '-x+3/2, -z+5/2, -y+5/2', 'y-1/2, z, x+1/2', '-z+2, -y+5/2, -x+2', 'z-1/2, x+1/2, y', '-y+2, -x+2, -z+5/2'], ['x, y, z', 'z-3/4, -y+2, x+3/4', '-z+3/4, x+1, -y+7/4', '-x, z+1/4, y-1/4', 'y-1, -z+7/4, -x+3/4', '-y+1, -x+1, -z+3/2'], ['x, y, z', 'y-1/4, x+1/4, -z+1', '-y+5/4, -z+5/4, x', '-x+1, z+1/4, y-1/4', 'z, -x+5/4, -y+5/4', '-z+1, -y+3/2, -x+1'], ['x, y, z', '-z+5/4, -x+3/4, y+1/2', '-y+3/4, z-1/2, -x+5/4', 'y-1/4, x+1/4, -z+2', '-x+1/2, -z+3/2, -y+3/2', 'z-3/4, -y+1, x+3/4'], ['x, y, z', '-z+3/2, -y+1/2, -x+3/2', 'z, x-1/2, y+1/2', '-x+3/2, -z+1, -y+1', 'y+1/2, z-1/2, x', '-y+1, -x+1, -z+3/2'], ['x, y, z', 'z-3/4, -y+1, x+3/4', '-z+7/4, x, -y+7/4', '-x+1, z-3/4, y+3/4', 'y, -z+7/4, -x+7/4', '-y+1, -x+1, -z+5/2'], ['x, y, z', '-z+3/2, -y+3/2, -x+3/2', 'z+1/2, -x+7/4, -y+5/4', '-x+2, z+1/4, y-1/4', '-y+7/4, -z+5/4, x-1/2', 'y+1/4, x-1/4, -z+1'], ['x, y, z', 'z+1/4, -y, x-1/4', '-z+9/4, -x+5/4, y+1', '-x+5/2, -z+1, -y+1', '-y+5/4, z-1, -x+9/4', 'y+5/4, x-5/4, -z+2'], ['x, y, z', '-z+5/2, -y+3/2, -x+5/2', 'z, x-1/2, y+1/2', '-x+5/2, -z+2, -y+2', 'y+1/2, z-1/2, x', '-y+2, -x+2, -z+5/2'], ['x, y, z', '-x+1, z-1/4, y+1/4', 'y, -z+5/4, -x+5/4', 'z-1/4, -y+1, x+1/4', '-z+5/4, x, -y+5/4', '-y+1, -x+1, -z+3/2'], ['x, y, z', 'z+1/2, -x+5/4, -y+3/4', '-y+5/4, -z+3/4, x-1/2', 'y+3/4, x-3/4, -z+1', '-x+2, z-1/4, y+1/4', '-z+3/2, -y+1/2, -x+3/2'], ['x, y, z', 'y+3/4, x-3/4, -z+2', '-y+3/4, z-1, -x+7/4', '-x+3/2, -z+1, -y+1', '-z+7/4, -x+3/4, y+1', 'z-1/4, -y, x+1/4'], ['x, y, z', '-y+3/2, -x+3/2, -z+1/2', 'y, z+1/2, x-1/2', '-x+3/2, -z+1, -y+1', 'z+1/2, x, y-1/2', '-z+1, -y+3/2, -x+1'], ['x, y, z', '-y+3/2, -x+3/2, -z+3/2', 'y-1/2, -z+7/4, -x+5/4', '-x+1, z+1/4, y-1/4', '-z+5/4, x+1/2, -y+7/4', 'z-1/4, -y+2, x+1/4'], ['x, y, z', 'y-1/4, x+1/4, -z', '-y+9/4, -z+5/4, x-1', '-x+2, z+5/4, y-5/4', 'z+1, -x+9/4, -y+5/4', '-z+1, -y+5/2, -x+1'], ['x, y, z', 'y+3/4, x-3/4, -z+1', '-y+7/4, z, -x+7/4', '-x+5/2, -z+1, -y+1', '-z+7/4, -x+7/4, y', 'z+3/4, -y+1, x-3/4'], ['x, y, z', '-y+5/2, -x+5/2, -z+3/2', 'y, z+1/2, x-1/2', '-x+5/2, -z+2, -y+2', 'z+1/2, x, y-1/2', '-z+2, -y+5/2, -x+2'], ['x, y, z', '-z+3/4, x+1/2, -y+5/4', 'y-1/2, -z+5/4, -x+3/4', '-y+3/2, -x+3/2, -z+1/2', '-x+1, z+3/4, y-3/4', 'z+1/4, -y+2, x-1/4'], ['x, y, z', '-x+2, z+3/4, y-3/4', '-y+7/4, -z+3/4, x-1', '-z+1, -y+3/2, -x+1', 'z+1, -x+7/4, -y+3/4', 'y+1/4, x-1/4, -z'], ['x, y, z', 'z+1/4, -y+1, x-1/4', '-z+5/4, -x+5/4, y', '-x+3/2, -z+1, -y+1', '-y+5/4, z, -x+5/4', 'y+1/4, x-1/4, -z+1']], [['x, y, z', 'z, x, y', 'y, z, x', '-x+1/4, -y+1/4, z', '-z+1/4, -x+1/4, y', '-y+1/4, -z+1/4, x', 'x, -y+1/4, -z+1/4', 'z, -x+1/4, -y+1/4', 'y, -z+1/4, -x+1/4', '-x+1/4, y, -z+1/4', '-z+1/4, x, -y+1/4', '-y+1/4, z, -x+1/4'], ['x, y, z', '-z+7/4, x-1/2, -y+5/4', 'y+1/2, -z+5/4, -x+7/4', '-x+7/4, y, -z+7/4', 'z, x-1/2, y+1/2', '-y+5/4, -z+5/4, x', '-x+7/4, -y+3/4, z', 'z, -x+5/4, -y+5/4', '-y+5/4, z-1/2, -x+7/4', 'x, -y+3/4, -z+7/4', '-z+7/4, -x+5/4, y+1/2', 'y+1/2, z-1/2, x'], ['x, y, z', 'z, x, y', 'y, z, x', '-x+7/4, y, -z+7/4', '-z+7/4, x, -y+7/4', '-y+7/4, z, -x+7/4', '-x+7/4, -y+7/4, z', '-z+7/4, -x+7/4, y', '-y+7/4, -z+7/4, x', 'x, -y+7/4, -z+7/4', 'z, -x+7/4, -y+7/4', 'y, -z+7/4, -x+7/4'], ['x, y, z', '-z+1/4, -x+3/4, y-1/2', '-y+3/4, z+1/2, -x+1/4', '-x+1/4, -y+5/4, z', 'z, x+1/2, y-1/2', 'y-1/2, -z+3/4, -x+1/4', 'x, -y+5/4, -z+1/4', '-z+1/4, x+1/2, -y+3/4', '-y+3/4, -z+3/4, x', '-x+1/4, y, -z+1/4', 'z, -x+3/4, -y+3/4', 'y-1/2, z+1/2, x'], ['x, y, z', '-z+3/4, x+1/2, -y+5/4', 'y-1/2, -z+5/4, -x+3/4', '-x+1/4, -y+5/4, z', 'z-1/2, -x+3/4, -y+5/4', 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x, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z'], ['x, y, z', '-y, -x, -z', 'x, y, -z', '-y, -x, z'], ['x, y, z', 'y, x, -z', 'x, y, -z', 'y, x, z'], ['x, y, z', '-x+1, z, y', '-x+1, y, z', 'x, z, y'], ['x, y, z', '-x+1, -z+1, -y+1', '-x+1, y, z', 'x, -z+1, -y+1'], ['x, y, z', '-x+1, -z+1, -y+1', '-x+1, y, z', 'x, -z+1, -y+1'], ['x, y, z', '-x+1, z, y', '-x+1, y, z', 'x, z, y'], ['x, y, z', 'z, -y+1, x', 'x, -y+1, z', 'z, y, x'], ['x, y, z', '-z+1, -y+1, -x+1', 'x, -y+1, z', '-z+1, y, -x+1'], ['x, y, z', '-z+1, -y+1, -x+1', 'x, -y+1, z', '-z+1, y, -x+1'], ['x, y, z', 'z, -y+1, x', 'x, -y+1, z', 'z, y, x'], ['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z'], ['x, y, z', '-y+1, -x+1, -z+1', 'x, y, -z+1', '-y+1, -x+1, z'], ['x, y, z', '-y+1, -x+1, -z+1', 'x, y, -z+1', '-y+1, -x+1, z'], ['x, y, z', 'y, x, -z+1', 'x, y, -z+1', 'y, x, z']], [['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z'], ['x, y, z', '-x+1, y, -z', 'x, y, 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'x, y, -z+1', 'x, -y+2, z'], ['x, y, z', 'x, -y+2, -z+1', 'x, y, -z+1', 'x, -y+2, z'], ['x, y, z', '-x+2, -y+1, z', 'x, -y+1, z', '-x+2, y, z'], ['x, y, z', '-x+2, -y+1, z', 'x, -y+1, z', '-x+2, y, z']], [['x, y, z', 'z, x, y', 'y, z, x', 'y, x, z', 'x, z, y', 'z, y, x'], ['x, y, z', '-z, x, -y', 'y, -z, -x', 'y, x, z', 'x, -z, -y', '-z, y, -x'], ['x, y, z', 'z, -x, -y', '-y, -z, x', '-y, -x, z', 'x, -z, -y', 'z, y, x'], ['x, y, z', '-z, -x, y', '-y, z, -x', '-y, -x, z', 'x, z, y', '-z, y, -x'], ['x, y, z', '-z, x, -y', 'y, -z, -x', 'y, x, z', 'x, -z, -y', '-z, y, -x'], ['x, y, z', 'z, x, y', 'y, z, x', 'y, x, z', 'x, z, y', 'z, y, x'], ['x, y, z', 'z, -x, -y', '-y, -z, x', '-y, -x, z', 'x, -z, -y', 'z, y, x'], ['x, y, z', '-z, -x, y', '-y, z, -x', '-y, -x, z', 'x, z, y', '-z, y, -x'], ['x, y, z', 'z, x, y', 'y, z, x', 'y, x, z', 'x, z, y', 'z, y, x'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', 'y, x, z', 'x, -z+1, -y+1', '-z+1, y, -x+1'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x', '-y+1, -x+1, z', 'x, -z+1, -y+1', 'z, y, x'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1', '-y+1, -x+1, z', 'x, z, y', '-z+1, y, -x+1'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', 'y, x, z', 'x, -z+1, -y+1', '-z+1, y, -x+1'], ['x, y, z', 'z, x, y', 'y, z, x', 'y, x, z', 'x, z, y', 'z, y, x'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x', '-y+1, -x+1, z', 'x, -z+1, -y+1', 'z, y, x'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1', '-y+1, -x+1, z', 'x, z, y', '-z+1, y, -x+1']], [['x, y, z', 'x, -y, -z', 'x, z, -y', 'x, -z, y', 'x, y, -z', 'x, -y, z', 'x, -z, -y', 'x, z, y'], ['x, y, z', 'x, -y, -z', 'x, z, -y', 'x, -z, y', 'x, y, -z', 'x, -y, z', 'x, -z, -y', 'x, z, y'], ['x, y, z', '-x, y, -z', 'z, y, -x', '-z, y, x', 'x, y, -z', '-x, y, z', '-z, y, -x', 'z, y, x'], ['x, y, z', '-x, y, -z', 'z, y, -x', '-z, y, x', 'x, y, -z', '-x, y, z', '-z, y, -x', 'z, y, x'], ['x, y, z', '-x, -y, z', 'y, -x, z', '-y, x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', '-x, -y, z', 'y, -x, z', '-y, x, z', 'x, -y, z', '-x, y, z', '-y, -x, z', 'y, x, z'], ['x, y, z', 'x, -y+1, -z+1', 'x, z, -y+1', 'x, -z+1, y', 'x, y, -z+1', 'x, -y+1, z', 'x, -z+1, -y+1', 'x, z, y'], ['x, y, z', 'x, -y+1, -z+1', 'x, z, -y+1', 'x, -z+1, y', 'x, y, -z+1', 'x, -y+1, z', 'x, -z+1, -y+1', 'x, z, y'], ['x, y, z', '-x+1, y, -z+1', 'z, y, -x+1', '-z+1, y, x', 'x, y, -z+1', '-x+1, y, z', '-z+1, y, -x+1', 'z, y, x'], ['x, y, z', '-x+1, y, -z+1', 'z, y, -x+1', '-z+1, y, x', 'x, y, -z+1', '-x+1, y, z', '-z+1, y, -x+1', 'z, y, x'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, z', '-y+1, x, z', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z'], ['x, y, z', '-x+1, -y+1, z', 'y, -x+1, z', '-y+1, x, z', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z']], [['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x+1/2, z-1/2, y+1/2', '-x+1/2, -z+1/2, -y+1/2', '-x+1/2, -z+1/2, y+1/2', '-x+1/2, z-1/2, -y+1/2'], ['x, y, z', 'x, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x+3/2, z-1/2, y+1/2', '-x+3/2, -z+1/2, -y+1/2', '-x+3/2, -z+1/2, y+1/2', '-x+3/2, z-1/2, -y+1/2'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z', 'z+1/2, -y+1/2, x-1/2', '-z+1/2, -y+1/2, -x+1/2', '-z+1/2, -y+1/2, x-1/2', 'z+1/2, -y+1/2, -x+1/2'], ['x, y, z', '-x+1, y, -z', 'x, y, -z', '-x+1, y, z', 'z+1/2, -y+3/2, x-1/2', '-z+1/2, -y+3/2, -x+1/2', '-z+1/2, -y+3/2, x-1/2', 'z+1/2, -y+3/2, -x+1/2'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z', 'y-1/2, x+1/2, -z+1/2', '-y+1/2, -x+1/2, -z+1/2', '-y+1/2, x+1/2, -z+1/2', 'y-1/2, -x+1/2, -z+1/2'], ['x, y, z', '-x, -y+1, z', 'x, -y+1, z', '-x, y, z', 'y-1/2, x+1/2, -z+3/2', '-y+1/2, -x+1/2, -z+3/2', '-y+1/2, x+1/2, -z+3/2', 'y-1/2, -x+1/2, -z+3/2'], ['x, y, z', 'x, -y+1, -z+2', 'x, y, -z+2', 'x, -y+1, z', '-x+3/2, z-1/2, y+1/2', '-x+3/2, -z+3/2, -y+3/2', '-x+3/2, -z+3/2, y+1/2', '-x+3/2, z-1/2, -y+3/2'], ['x, y, z', 'x, -y+1, -z+2', 'x, y, -z+2', 'x, -y+1, z', '-x+5/2, z-1/2, y+1/2', '-x+5/2, -z+3/2, -y+3/2', '-x+5/2, -z+3/2, y+1/2', '-x+5/2, z-1/2, -y+3/2'], ['x, y, z', '-x+2, y, -z+1', 'x, y, -z+1', '-x+2, y, z', 'z+1/2, -y+3/2, x-1/2', '-z+3/2, -y+3/2, -x+3/2', '-z+3/2, -y+3/2, x-1/2', 'z+1/2, -y+3/2, -x+3/2'], ['x, y, z', '-x+2, y, -z+1', 'x, y, -z+1', '-x+2, y, z', 'z+1/2, -y+5/2, x-1/2', '-z+3/2, -y+5/2, -x+3/2', '-z+3/2, -y+5/2, x-1/2', 'z+1/2, -y+5/2, -x+3/2'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z', 'y-1/2, x+1/2, -z+3/2', '-y+3/2, -x+3/2, -z+3/2', '-y+3/2, x+1/2, -z+3/2', 'y-1/2, -x+3/2, -z+3/2'], ['x, y, z', '-x+1, -y+2, z', 'x, -y+2, z', '-x+1, y, z', 'y-1/2, x+1/2, -z+5/2', '-y+3/2, -x+3/2, -z+5/2', '-y+3/2, x+1/2, -z+5/2', 'y-1/2, -x+3/2, -z+5/2']], [['x, y, z', 'z, x, y', 'y, z, x', 'y, x, z', 'x, z, y', 'z, y, x', '-y+1/2, -x+1/2, -z+1/2', '-x+1/2, -z+1/2, -y+1/2', '-z+1/2, -y+1/2, -x+1/2', '-x+1/2, -y+1/2, -z+1/2', '-z+1/2, -x+1/2, -y+1/2', '-y+1/2, -z+1/2, -x+1/2'], ['x, y, z', '-z+1, x, -y+1', 'y, -z+1, -x+1', 'y, x, z', 'x, -z+1, -y+1', '-z+1, y, -x+1', '-y+3/2, -x+3/2, -z+1/2', '-x+3/2, z+1/2, y-1/2', 'z+1/2, -y+3/2, x-1/2', '-x+3/2, -y+3/2, -z+1/2', 'z+1/2, -x+3/2, y-1/2', '-y+3/2, z+1/2, x-1/2'], ['x, y, z', 'z, -x+1, -y+1', '-y+1, -z+1, x', '-y+1, -x+1, z', 'x, -z+1, -y+1', 'z, y, x', 'y+1/2, x-1/2, -z+3/2', '-x+3/2, z-1/2, y+1/2', '-z+3/2, -y+1/2, -x+3/2', '-x+3/2, -y+1/2, -z+3/2', '-z+3/2, x-1/2, y+1/2', 'y+1/2, z-1/2, -x+3/2'], ['x, y, z', '-z+1, -x+1, y', '-y+1, z, -x+1', '-y+1, -x+1, z', 'x, z, y', '-z+1, y, -x+1', 'y-1/2, x+1/2, -z+3/2', '-x+1/2, -z+3/2, -y+3/2', 'z-1/2, -y+3/2, x+1/2', '-x+1/2, -y+3/2, -z+3/2', 'z-1/2, x+1/2, -y+3/2', 'y-1/2, -z+3/2, x+1/2'], ['x, y, z', 'z, x, y', 'y, z, x', 'y, x, z', 'x, z, y', 'z, y, x', '-y+3/2, -x+3/2, -z+3/2', '-x+3/2, -z+3/2, -y+3/2', '-z+3/2, -y+3/2, -x+3/2', '-x+3/2, -y+3/2, -z+3/2', '-z+3/2, -x+3/2, -y+3/2', '-y+3/2, -z+3/2, -x+3/2'], ['x, y, z', '-z+2, x, -y+2', 'y, -z+2, -x+2', 'y, x, z', 'x, -z+2, -y+2', '-z+2, y, -x+2', '-y+5/2, -x+5/2, -z+3/2', '-x+5/2, z+1/2, y-1/2', 'z+1/2, -y+5/2, x-1/2', '-x+5/2, -y+5/2, -z+3/2', 'z+1/2, -x+5/2, y-1/2', '-y+5/2, z+1/2, x-1/2'], ['x, y, z', 'z, -x+2, -y+2', '-y+2, -z+2, x', '-y+2, -x+2, z', 'x, -z+2, -y+2', 'z, y, x', 'y+1/2, x-1/2, -z+5/2', '-x+5/2, z-1/2, y+1/2', '-z+5/2, -y+3/2, -x+5/2', '-x+5/2, -y+3/2, -z+5/2', '-z+5/2, x-1/2, y+1/2', 'y+1/2, z-1/2, -x+5/2'], ['x, y, z', '-z+2, -x+2, y', '-y+2, z, -x+2', '-y+2, -x+2, z', 'x, z, y', '-z+2, y, -x+2', 'y-1/2, x+1/2, -z+5/2', '-x+3/2, -z+5/2, -y+5/2', 'z-1/2, -y+5/2, x+1/2', '-x+3/2, -y+5/2, -z+5/2', 'z-1/2, x+1/2, -y+5/2', 'y-1/2, -z+5/2, x+1/2']], [['x, y, z', '-x, -y+1, z', '-x, y, -z+1', 'x, -y+1, -z+1', 'x, z, -y+1', '-x, z, y', '-x, -z+1, -y+1', 'x, -z+1, y', '-x, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x, y, z', '-x, -z+1, y', 'x, -z+1, -y+1', 'x, z, y', '-x, z, -y+1'], ['x, y, z', '-x+1, -y, z', '-x+1, y, -z+1', 'x, -y, -z+1', 'z, y, -x+1', 'z, -y, x', '-z+1, y, x', '-z+1, -y, -x+1', '-x+1, -y, -z+1', 'x, y, -z+1', 'x, -y, z', '-x+1, y, z', '-z+1, -y, x', '-z+1, y, -x+1', 'z, -y, -x+1', 'z, y, x'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z', 'x, -y+1, -z', 'y, x, -z', '-y+1, -x+1, -z', 'y, -x+1, z', '-y+1, x, z', '-x+1, -y+1, -z', 'x, y, -z', 'x, -y+1, z', '-x+1, y, z', '-y+1, -x+1, z', 'y, x, z', '-y+1, x, -z', 'y, -x+1, -z'], ['x, y, z', '-x+1, -y+2, z', '-x+1, y, -z+2', 'x, -y+2, -z+2', 'x, z, -y+2', '-x+1, z, y', '-x+1, -z+2, -y+2', 'x, -z+2, y', '-x+1, -y+2, -z+2', 'x, y, -z+2', 'x, -y+2, z', '-x+1, y, z', '-x+1, -z+2, y', 'x, -z+2, -y+2', 'x, z, y', '-x+1, z, -y+2'], ['x, y, z', '-x+2, -y+1, z', '-x+2, y, -z+2', 'x, -y+1, -z+2', 'z, y, -x+2', 'z, -y+1, x', '-z+2, y, x', '-z+2, -y+1, -x+2', '-x+2, -y+1, -z+2', 'x, y, -z+2', 'x, -y+1, z', '-x+2, y, z', '-z+2, -y+1, x', '-z+2, y, -x+2', 'z, -y+1, -x+2', 'z, y, x'], ['x, y, z', '-x+2, -y+2, z', '-x+2, y, -z+1', 'x, -y+2, -z+1', 'y, x, -z+1', '-y+2, -x+2, -z+1', 'y, -x+2, z', '-y+2, x, z', '-x+2, -y+2, -z+1', 'x, y, -z+1', 'x, -y+2, z', '-x+2, y, z', '-y+2, -x+2, z', 'y, x, z', '-y+2, x, -z+1', 'y, -x+2, -z+1']], [['x, y, z', '-x, -y, z', '-x, y, -z', 'x, -y, -z', 'z, x, y', 'z, -x, -y', '-z, -x, y', '-z, x, -y', 'y, z, x', '-y, z, -x', 'y, -z, -x', '-y, -z, x', 'y, x, -z', '-y, -x, -z', 'y, -x, z', '-y, x, z', 'x, z, -y', '-x, z, y', '-x, -z, -y', 'x, -z, y', 'z, y, -x', 'z, -y, x', '-z, y, x', '-z, -y, -x', '-x, -y, -z', 'x, y, -z', 'x, -y, z', '-x, y, z', '-z, -x, -y', '-z, x, y', 'z, x, -y', 'z, -x, y', '-y, -z, -x', 'y, -z, x', '-y, z, x', 'y, z, -x', '-y, -x, z', 'y, x, z', '-y, x, -z', 'y, -x, -z', '-x, -z, y', 'x, -z, -y', 'x, z, y', '-x, z, -y', '-z, -y, x', '-z, y, -x', 'z, -y, -x', 'z, y, x'], ['x, y, z', '-x+1, -y+1, z', '-x+1, y, -z+1', 'x, -y+1, -z+1', 'z, x, y', 'z, -x+1, -y+1', '-z+1, -x+1, y', '-z+1, x, -y+1', 'y, z, x', '-y+1, z, -x+1', 'y, -z+1, -x+1', '-y+1, -z+1, x', 'y, x, -z+1', '-y+1, -x+1, -z+1', 'y, -x+1, z', '-y+1, x, z', 'x, z, -y+1', '-x+1, z, y', '-x+1, -z+1, -y+1', 'x, -z+1, y', 'z, y, -x+1', 'z, -y+1, x', '-z+1, y, x', '-z+1, -y+1, -x+1', '-x+1, -y+1, -z+1', 'x, y, -z+1', 'x, -y+1, z', '-x+1, y, z', '-z+1, -x+1, -y+1', '-z+1, x, y', 'z, x, -y+1', 'z, -x+1, y', '-y+1, -z+1, -x+1', 'y, -z+1, x', '-y+1, z, x', 'y, z, -x+1', '-y+1, -x+1, z', 'y, x, z', '-y+1, x, -z+1', 'y, -x+1, -z+1', '-x+1, -z+1, y', 'x, -z+1, -y+1', 'x, z, y', '-x+1, z, -y+1', '-z+1, -y+1, x', '-z+1, y, -x+1', 'z, -y+1, -x+1', 'z, y, x']]]\"\n230,\"[[['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z'], ['x, y, z']], [['x, y, z', '-x+1/4, -z+1/4, -y+1/4'], ['x, y, z', '-x+3/4, z-3/4, y+3/4'], ['x, y, z', '-x+7/4, z+1/4, y-1/4'], ['x, y, z', '-x+5/4, -z+5/4, -y+5/4'], ['x, y, z', '-z+1/4, -y+1/4, -x+1/4'], ['x, y, z', 'z+3/4, -y+3/4, x-3/4'], ['x, y, z', 'z-1/4, -y+7/4, x+1/4'], ['x, y, z', '-z+5/4, -y+5/4, -x+5/4'], ['x, y, z', '-y+1/4, -x+1/4, -z+1/4'], ['x, y, z', 'y-3/4, x+3/4, -z+3/4'], ['x, y, z', 'y+1/4, x-1/4, -z+7/4'], ['x, y, z', '-y+5/4, -x+5/4, -z+5/4'], ['x, y, z', '-x+7/4, -z+3/4, -y+3/4'], ['x, y, z', '-x+5/4, z-1/4, y+1/4'], ['x, y, z', '-x+1/4, z-1/4, y+1/4'], ['x, y, z', '-x+3/4, -z+3/4, -y+3/4'], ['x, y, z', '-z+3/4, -y+7/4, -x+3/4'], ['x, y, z', 'z+1/4, -y+5/4, x-1/4'], ['x, y, z', 'z+1/4, -y+1/4, x-1/4'], ['x, y, z', '-z+3/4, -y+3/4, -x+3/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+7/4'], ['x, y, z', 'y-1/4, x+1/4, -z+5/4'], ['x, y, z', 'y-1/4, x+1/4, -z+1/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+3/4'], ['x, y, z', '-x+5/4, -z+5/4, -y+5/4'], ['x, y, z', '-x+7/4, z-3/4, y+3/4'], ['x, y, z', '-x+11/4, z+1/4, y-1/4'], ['x, y, z', '-x+9/4, -z+9/4, -y+9/4'], ['x, y, z', '-z+5/4, -y+5/4, -x+5/4'], ['x, y, z', 'z+3/4, -y+7/4, x-3/4'], ['x, y, z', 'z-1/4, -y+11/4, x+1/4'], ['x, y, z', '-z+9/4, -y+9/4, -x+9/4'], ['x, y, z', '-y+5/4, -x+5/4, -z+5/4'], ['x, y, z', 'y-3/4, x+3/4, -z+7/4'], ['x, y, z', 'y+1/4, x-1/4, -z+11/4'], ['x, y, z', '-y+9/4, -x+9/4, -z+9/4'], ['x, y, z', '-x+11/4, -z+7/4, -y+7/4'], ['x, y, z', '-x+9/4, z-1/4, y+1/4'], ['x, y, z', '-x+5/4, z-1/4, y+1/4'], ['x, y, z', '-x+7/4, -z+7/4, -y+7/4'], ['x, y, z', '-z+7/4, -y+11/4, -x+7/4'], ['x, y, z', 'z+1/4, -y+9/4, x-1/4'], ['x, y, z', 'z+1/4, -y+5/4, x-1/4'], ['x, y, z', '-z+7/4, -y+7/4, -x+7/4'], ['x, y, z', '-y+7/4, -x+7/4, -z+11/4'], ['x, y, z', 'y-1/4, x+1/4, -z+9/4'], ['x, y, z', 'y-1/4, x+1/4, -z+5/4'], ['x, y, z', '-y+7/4, -x+7/4, -z+7/4']], [['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x, -y+1/2, z'], ['x, y, z', '-x, -y+3/2, z'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', 'x, -y+1, -z+1/2'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', '-x, -y+1/2, z'], ['x, y, z', '-x+1, -y+1/2, z'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', 'x, -y, -z+1/2'], ['x, y, z', '-x+3/2, y, -z'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x, -y+3/2, z'], ['x, y, z', '-x, -y+1/2, z'], ['x, y, z', '-x+1/2, y, -z'], ['x, y, z', '-x+1/2, y, -z+1'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y, -z+3/2'], ['x, y, z', '-x, -y+3/2, z'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', 'x, -y+1, -z+5/2'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+5/2, y, -z+1'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x+1, -y+5/2, z'], ['x, y, z', '-x+5/2, y, -z+1'], ['x, y, z', '-x+5/2, y, -z+2'], ['x, y, z', 'x, -y+2, -z+3/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x+2, -y+3/2, z'], ['x, y, z', 'x, -y+1, -z+5/2'], ['x, y, z', 'x, -y+1, -z+3/2'], ['x, y, z', '-x+5/2, y, -z+1'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+1, -y+5/2, z'], ['x, y, z', '-x+1, -y+3/2, z'], ['x, y, z', '-x+3/2, y, -z+1'], ['x, y, z', '-x+3/2, y, -z+2'], ['x, y, z', 'x, -y+2, -z+5/2'], ['x, y, z', 'x, -y+1, -z+5/2'], ['x, y, z', '-x+1, -y+5/2, z'], ['x, y, z', '-x+2, -y+5/2, z']], [['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2'], ['x, y, z', '-z+1, x+1/2, -y+3/2', 'y-1/2, -z+3/2, -x+1'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z+1/2, -x+3/2, -y+1', '-y+3/2, -z+1, x-1/2'], ['x, y, z', '-z+3/2, -x+1, y+1/2', '-y+1, z-1/2, -x+3/2'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+2, x-1/2, -y+3/2', 'y+1/2, -z+3/2, -x+2'], ['x, y, z', 'z-1/2, -x+3/2, -y+2', '-y+3/2, -z+2, x+1/2'], ['x, y, z', '-z+3/2, -x+2, y-1/2', '-y+2, z+1/2, -x+3/2'], ['x, y, z', '-z+2, x-1/2, -y+3/2', 'y+1/2, -z+3/2, -x+2'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z-1/2, -x+3/2, -y+2', '-y+3/2, -z+2, x+1/2'], ['x, y, z', '-z+3/2, -x+2, y-1/2', '-y+2, z+1/2, -x+3/2'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', '-z+2, x-1/2, -y+3/2', 'y+1/2, -z+3/2, -x+2'], ['x, y, z', 'z-1/2, -x+3/2, -y+2', '-y+3/2, -z+2, x+1/2'], ['x, y, z', '-z+3/2, -x+2, y-1/2', '-y+2, z+1/2, -x+3/2'], ['x, y, z', '-z+2, x+1/2, -y+5/2', 'y-1/2, -z+5/2, -x+2'], ['x, y, z', 'z, x, y', 'y, z, x'], ['x, y, z', 'z+1/2, -x+5/2, -y+2', '-y+5/2, -z+2, x-1/2'], ['x, y, z', '-z+5/2, -x+2, y+1/2', '-y+2, z-1/2, -x+5/2']], [['x, y, z', '-x+3/4, z-1/4, -y+1/4', 'x, -y, -z+1/2', '-x+3/4, -z+1/4, y+1/4'], ['x, y, z', '-x+1/4, -z+3/4, y+3/4', 'x, -y, -z+3/2', '-x+1/4, z-3/4, -y+3/4'], ['x, y, z', '-z+1/4, -y+3/4, x-1/4', '-x+1/2, y, -z', 'z+1/4, -y+3/4, -x+1/4'], ['x, y, z', 'z+3/4, -y+1/4, -x+3/4', '-x+3/2, y, -z', '-z+3/4, -y+1/4, x-3/4'], ['x, y, z', 'y-1/4, -x+1/4, -z+3/4', '-x, -y+1/2, z', '-y+1/4, x+1/4, -z+3/4'], ['x, y, z', '-y+3/4, x+3/4, -z+1/4', '-x, -y+3/2, z', 'y-3/4, -x+3/4, -z+1/4'], ['x, y, z', 'z+3/4, -y+5/4, -x+3/4', '-x+3/2, y, -z', '-z+3/4, -y+5/4, x-3/4'], ['x, y, z', '-z+5/4, -y+3/4, x-1/4', '-x+3/2, y, -z+1', 'z+1/4, -y+3/4, -x+5/4'], ['x, y, z', '-x+1/4, -z+3/4, y-1/4', 'x, -y+1, -z+1/2', '-x+1/4, z+1/4, -y+3/4'], ['x, y, z', '-x+7/4, z-1/4, -y+1/4', 'x, -y, -z+1/2', '-x+7/4, -z+1/4, y+1/4'], ['x, y, z', 'y-1/4, -x+1/4, -z+7/4', '-x, -y+1/2, z', '-y+1/4, x+1/4, -z+7/4'], ['x, y, z', '-y+3/4, x-1/4, -z+1/4', '-x+1, -y+1/2, z', 'y+1/4, -x+3/4, -z+1/4'], ['x, y, z', '-x+7/4, z-1/4, -y+5/4', 'x, -y+1, -z+3/2', '-x+7/4, -z+5/4, y+1/4'], ['x, y, z', '-x+5/4, -z+7/4, y+3/4', 'x, -y+1, -z+5/2', '-x+5/4, z-3/4, -y+7/4'], ['x, y, z', '-z+5/4, -y+7/4, x-1/4', '-x+3/2, y, -z+1', 'z+1/4, -y+7/4, -x+5/4'], ['x, y, z', 'z+3/4, -y+5/4, -x+7/4', '-x+5/2, y, -z+1', '-z+7/4, -y+5/4, x-3/4'], ['x, y, z', 'y-1/4, -x+5/4, -z+7/4', '-x+1, -y+3/2, z', '-y+5/4, x+1/4, -z+7/4'], ['x, y, z', '-y+7/4, x+3/4, -z+5/4', '-x+1, -y+5/2, z', 'y-3/4, -x+7/4, -z+5/4'], ['x, y, z', 'z+3/4, -y+9/4, -x+7/4', '-x+5/2, y, -z+1', '-z+7/4, -y+9/4, x-3/4'], ['x, y, z', '-z+9/4, -y+7/4, x-1/4', '-x+5/2, y, -z+2', 'z+1/4, -y+7/4, -x+9/4'], ['x, y, z', '-x+5/4, -z+7/4, y-1/4', 'x, -y+2, -z+3/2', '-x+5/4, z+1/4, -y+7/4'], ['x, y, z', '-x+11/4, z-1/4, -y+5/4', 'x, -y+1, -z+3/2', '-x+11/4, -z+5/4, y+1/4'], ['x, y, z', 'y-1/4, -x+5/4, -z+11/4', '-x+1, -y+3/2, z', '-y+5/4, x+1/4, -z+11/4'], ['x, y, z', '-y+7/4, x-1/4, -z+5/4', '-x+2, -y+3/2, z', 'y+1/4, -x+7/4, -z+5/4']], [['x, y, z', '-x+1/4, z-1/4, y+1/4', 'x, -y, -z+1/2', '-x+1/4, -z+1/4, -y+1/4'], ['x, y, z', '-x+3/4, -z+3/4, -y+3/4', 'x, -y, -z+3/2', '-x+3/4, z-3/4, y+3/4'], ['x, y, z', 'z+1/4, -y+1/4, x-1/4', '-x+1/2, y, -z', '-z+1/4, -y+1/4, -x+1/4'], ['x, y, z', '-z+3/4, -y+3/4, -x+3/4', '-x+3/2, y, -z', 'z+3/4, -y+3/4, x-3/4'], ['x, y, z', 'y-1/4, x+1/4, -z+1/4', '-x, -y+1/2, z', '-y+1/4, -x+1/4, -z+1/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+3/4', '-x, -y+3/2, z', 'y-3/4, x+3/4, -z+3/4'], ['x, y, z', '-x+7/4, -z+3/4, -y+3/4', 'x, -y, -z+3/2', '-x+7/4, z-3/4, y+3/4'], ['x, y, z', '-x+5/4, z-1/4, y+1/4', 'x, -y, -z+1/2', '-x+5/4, -z+1/4, -y+1/4'], ['x, y, z', '-z+3/4, -y+7/4, -x+3/4', '-x+3/2, y, -z', 'z+3/4, -y+7/4, x-3/4'], ['x, y, z', 'z+1/4, -y+5/4, x-1/4', '-x+1/2, y, -z', '-z+1/4, -y+5/4, -x+1/4'], ['x, y, z', '-y+3/4, -x+3/4, -z+7/4', '-x, -y+3/2, z', 'y-3/4, x+3/4, -z+7/4'], ['x, y, z', 'y-1/4, x+1/4, -z+5/4', '-x, -y+1/2, z', '-y+1/4, -x+1/4, -z+5/4'], ['x, y, z', '-x+5/4, z-1/4, y+1/4', 'x, -y+1, -z+3/2', '-x+5/4, -z+5/4, -y+5/4'], ['x, y, z', '-x+7/4, -z+7/4, -y+7/4', 'x, -y+1, -z+5/2', '-x+7/4, z-3/4, y+3/4'], ['x, y, z', 'z+1/4, -y+5/4, x-1/4', '-x+3/2, y, -z+1', '-z+5/4, -y+5/4, -x+5/4'], ['x, y, z', '-z+7/4, -y+7/4, -x+7/4', '-x+5/2, y, -z+1', 'z+3/4, -y+7/4, x-3/4'], ['x, y, z', 'y-1/4, x+1/4, -z+5/4', '-x+1, -y+3/2, z', '-y+5/4, -x+5/4, -z+5/4'], ['x, y, z', '-y+7/4, -x+7/4, -z+7/4', '-x+1, -y+5/2, z', 'y-3/4, x+3/4, -z+7/4'], ['x, y, z', '-x+11/4, -z+7/4, -y+7/4', 'x, -y+1, -z+5/2', '-x+11/4, z-3/4, y+3/4'], ['x, y, z', '-x+9/4, z-1/4, y+1/4', 'x, -y+1, -z+3/2', '-x+9/4, -z+5/4, -y+5/4'], ['x, y, z', '-z+7/4, -y+11/4, -x+7/4', '-x+5/2, y, -z+1', 'z+3/4, -y+11/4, x-3/4'], ['x, y, z', 'z+1/4, -y+9/4, x-1/4', '-x+3/2, y, -z+1', '-z+5/4, -y+9/4, -x+5/4'], ['x, y, z', '-y+7/4, -x+7/4, -z+11/4', '-x+1, -y+5/2, z', 'y-3/4, x+3/4, -z+11/4'], ['x, y, z', 'y-1/4, x+1/4, -z+9/4', '-x+1, -y+3/2, z', '-y+5/4, -x+5/4, -z+9/4']], [['x, y, z', 'z, x, y', 'y, z, x', '-y+1/4, -x+1/4, -z+1/4', '-x+1/4, -z+1/4, -y+1/4', '-z+1/4, -y+1/4, -x+1/4'], ['x, y, z', '-z+1, x+1/2, -y+3/2', 'y-1/2, -z+3/2, -x+1', '-y+5/4, -x+5/4, -z+5/4', '-x+3/4, z+1/4, y-1/4', 'z-1/4, -y+7/4, x+1/4'], ['x, y, z', 'z+1/2, -x+3/2, -y+1', '-y+3/2, -z+1, x-1/2', 'y+1/4, x-1/4, -z+3/4', '-x+7/4, z+1/4, y-1/4', '-z+5/4, -y+5/4, -x+5/4'], ['x, y, z', '-z+3/2, -x+1, y+1/2', '-y+1, z-1/2, -x+3/2', 'y+1/4, x-1/4, -z+7/4', '-x+5/4, -z+5/4, -y+5/4', 'z-1/4, -y+3/4, x+1/4'], ['x, y, z', 'z, x, y', 'y, z, x', '-y+7/4, -x+7/4, -z+7/4', '-x+7/4, -z+7/4, -y+7/4', '-z+7/4, -y+7/4, -x+7/4'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1', '-y+3/4, -x+3/4, -z+3/4', '-x+5/4, z-1/4, y+1/4', 'z+1/4, -y+1/4, x-1/4'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2', 'y-1/4, x+1/4, -z+5/4', '-x+1/4, z-1/4, y+1/4', '-z+3/4, -y+3/4, -x+3/4'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2', 'y-1/4, x+1/4, -z+1/4', '-x+3/4, -z+3/4, -y+3/4', 'z+1/4, -y+5/4, x-1/4'], ['x, y, z', 'z, x, y', 'y, z, x', '-y+5/4, -x+5/4, -z+5/4', '-x+5/4, -z+5/4, -y+5/4', '-z+5/4, -y+5/4, -x+5/4'], ['x, y, z', '-z+2, x+1/2, -y+5/2', 'y-1/2, -z+5/2, -x+2', '-y+9/4, -x+9/4, -z+9/4', '-x+7/4, z+1/4, y-1/4', 'z-1/4, -y+11/4, x+1/4'], ['x, y, z', 'z+1/2, -x+5/2, -y+2', '-y+5/2, -z+2, x-1/2', 'y+1/4, x-1/4, -z+7/4', '-x+11/4, z+1/4, y-1/4', '-z+9/4, -y+9/4, -x+9/4'], ['x, y, z', '-z+5/2, -x+2, y+1/2', '-y+2, z-1/2, -x+5/2', 'y+1/4, x-1/4, -z+11/4', '-x+9/4, -z+9/4, -y+9/4', 'z-1/4, -y+7/4, x+1/4'], ['x, y, z', 'z, x, y', 'y, z, x', '-y+11/4, -x+11/4, -z+11/4', '-x+11/4, -z+11/4, -y+11/4', '-z+11/4, -y+11/4, -x+11/4'], ['x, y, z', '-z+2, x-1/2, -y+3/2', 'y+1/2, -z+3/2, -x+2', '-y+7/4, -x+7/4, -z+7/4', '-x+9/4, z-1/4, y+1/4', 'z+1/4, -y+5/4, x-1/4'], ['x, y, z', 'z-1/2, -x+3/2, -y+2', '-y+3/2, -z+2, x+1/2', 'y-1/4, x+1/4, -z+9/4', '-x+5/4, z-1/4, y+1/4', '-z+7/4, -y+7/4, -x+7/4'], ['x, y, z', '-z+3/2, -x+2, y-1/2', '-y+2, z+1/2, -x+3/2', 'y-1/4, x+1/4, -z+5/4', '-x+7/4, -z+7/4, -y+7/4', 'z+1/4, -y+9/4, x-1/4']], [['x, y, z', 'z, x, y', 'y, z, x', '-x, -y, -z', '-z, -x, -y', '-y, -z, -x'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1', '-x+1, -y, -z+1', 'z, -x+1/2, y+1/2', '-y+1/2, z-1/2, x'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2', '-x, -y+1, -z+1', '-z+1/2, x+1/2, y', 'y-1/2, z, -x+1/2'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2', '-x+1, -y+1, -z', 'z+1/2, x, -y+1/2', 'y, -z+1/2, x-1/2'], ['x, y, z', '-z+1, x-1/2, -y+1/2', 'y+1/2, -z+1/2, -x+1', '-x+3/2, -y+1/2, -z+1/2', 'z+1/2, -x+1, y', '-y+1, z, x-1/2'], ['x, y, z', 'z, x, y', 'y, z, x', '-x+3/2, -y+3/2, -z+3/2', '-z+3/2, -x+3/2, -y+3/2', '-y+3/2, -z+3/2, -x+3/2'], ['x, y, z', 'z-1/2, -x+1/2, -y+1', '-y+1/2, -z+1, x+1/2', '-x+1/2, -y+1/2, -z+3/2', '-z+1, x, y+1/2', 'y, z-1/2, -x+1'], ['x, y, z', '-z+1/2, -x+1, y-1/2', '-y+1, z+1/2, -x+1/2', '-x+1/2, -y+3/2, -z+1/2', 'z, x+1/2, -y+1', 'y-1/2, -z+1, x'], ['x, y, z', 'z, x, y', 'y, z, x', '-x+1, -y+1, -z+1', '-z+1, -x+1, -y+1', '-y+1, -z+1, -x+1'], ['x, y, z', '-z+2, x-1/2, -y+3/2', 'y+1/2, -z+3/2, -x+2', '-x+2, -y+1, -z+2', 'z, -x+3/2, y+1/2', '-y+3/2, z-1/2, x'], ['x, y, z', 'z-1/2, -x+3/2, -y+2', '-y+3/2, -z+2, x+1/2', '-x+1, -y+2, -z+2', '-z+3/2, x+1/2, y', 'y-1/2, z, -x+3/2'], ['x, y, z', '-z+3/2, -x+2, y-1/2', '-y+2, z+1/2, -x+3/2', '-x+2, -y+2, -z+1', 'z+1/2, x, -y+3/2', 'y, -z+3/2, x-1/2'], ['x, y, z', '-z+2, x-1/2, -y+3/2', 'y+1/2, -z+3/2, -x+2', '-x+5/2, -y+3/2, -z+3/2', 'z+1/2, -x+2, y', '-y+2, z, x-1/2'], ['x, y, z', 'z, x, y', 'y, z, x', '-x+5/2, -y+5/2, -z+5/2', '-z+5/2, -x+5/2, -y+5/2', '-y+5/2, -z+5/2, -x+5/2'], ['x, y, z', 'z-1/2, -x+3/2, -y+2', '-y+3/2, -z+2, x+1/2', '-x+3/2, -y+3/2, -z+5/2', '-z+2, x, y+1/2', 'y, z-1/2, -x+2'], ['x, y, z', '-z+3/2, -x+2, y-1/2', '-y+2, z+1/2, -x+3/2', '-x+3/2, -y+5/2, -z+3/2', 'z, x+1/2, -y+2', 'y-1/2, -z+2, x']]]\"\n" }, { "path": "pyxtal/db.py", "content": "\"\"\"\nDatabase class\n\"\"\"\n\nimport os\nimport logging\n\nimport numpy as np\nimport pymatgen.analysis.structure_matcher as sm\nfrom ase.calculators.calculator import CalculationFailed\nfrom ase.db import connect\n\nfrom pyxtal import pyxtal\nfrom pyxtal.util import ase2pymatgen\n\n\ndef setup_worker_logger(log_file):\n \"\"\"\n Set up the logger for each worker process.\n \"\"\"\n logging.getLogger().handlers.clear()\n logging.basicConfig(format=\"%(asctime)s| %(message)s\",\n filename=log_file,\n level=logging.INFO)\n\ndef call_opt_single(p):\n \"\"\"\n Optimize a single structure and log the result.\n\n Args:\n p (tuple): A tuple where the first element is an identifier (id), and the\n remaining elements are the arguments to pass to `opt_single`.\n\n Returns:\n tuple: A tuple (id, xtal, eng) where:\n - id (int): The identifier of the structure.\n - xtal: The optimized structure.\n - eng (float): The energy of the opt_structure, or None if it failed.\n\n Behavior:\n This function calls `opt_single` to perform the optimization of the structure\n associated with the given id.\n \"\"\"\n #logger = logging.getLogger()\n #logger.info(f\"ID: {p[0]} *{sum(p[1].numIons)}\")\n myid = p[0]\n xtal, eng, status = opt_single(*p)\n return myid, xtal, eng\n\n\ndef opt_single(id, xtal, calc, *args):\n \"\"\"\n Optimize a structure using the specified calculator.\n\n Args:\n id (int): Identifier of the structure to be optimized.\n xtal: Crystal structure object to be optimized.\n calc (str): The calculator to use ('GULP', 'DFTB', 'VASP', 'MACE').\n *args: Additional arguments to pass to the calculator function.\n\n Returns:\n tuple: The result of the optimization, which typically includes:\n - xtal: The optimized structure.\n - energy (float): The energy of the optimized structure.\n - status (bool): Whether the optimization was successful.\n\n Raises:\n ValueError: If an unsupported calculator is specified.\n \"\"\"\n\n if calc == 'GULP':\n return gulp_opt_single(id, xtal, *args)\n elif calc == 'DFTB':\n return dftb_opt_single(id, xtal, *args)\n elif calc == 'VASP':\n return vasp_opt_single(id, xtal, *args)\n elif calc == 'MACE':\n return mace_opt_single(id, xtal, *args)\n else:\n raise ValueError(\"Cannot support this calcultor\", calc)\n\n\ndef dftb_opt_single(id, xtal, skf_dir, steps, symmetrize, criteria, kresol=0.05):\n \"\"\"\n Single DFTB optimization for a given atomic xtal\n\n Args:\n id (int): id of the give xtal\n xtal: pyxtal instance\n skf_dir (str): path of skf files\n steps (int): number of relaxation steps\n criteria (dicts): to check if the structure\n \"\"\"\n from pyxtal.interface.dftb import DFTB, DFTB_relax\n\n cwd = os.getcwd()\n atoms = xtal.to_ase(resort=False)\n eng = None\n stress = None\n try:\n if symmetrize:\n s = DFTB_relax(\n atoms,\n skf_dir,\n True,\n int(steps / 2),\n kresol=kresol,\n folder=\".\",\n scc_error=1e-5,\n scc_iter=100,\n logfile=\"ase.log\",\n )\n stress = np.sum(s.get_stress()[:3]) / 0.006241509125883258 / 3\n else:\n my = DFTB(\n atoms,\n skf_dir,\n kresol=kresol * 1.5,\n folder=\".\",\n scc_error=0.1,\n scc_iter=100,\n )\n s, eng = my.run(mode=\"vc-relax\", step=int(steps / 2))\n my = DFTB(s, skf_dir, kresol=kresol, folder=\".\",\n scc_error=1e-4, scc_iter=100)\n s, eng = my.run(mode=\"vc-relax\", step=int(steps / 2))\n s = my.struc\n except CalculationFailed:\n # This is due to covergence error in geometry optimization\n # Here we simply read the last energy\n my.calc.read_results()\n eng = my.calc.results[\"energy\"]\n s = my.struc\n except:\n s = None\n print(\"Problem in DFTB Geometry optimization\", id)\n xtal.to_file(\"bug.cif\") # ; import sys; sys.exit()\n os.chdir(cwd)\n\n status = False\n if s is not None:\n c = pyxtal()\n c.from_seed(s)\n if eng is None:\n eng = s.get_potential_energy() / len(s)\n else:\n eng /= len(s)\n\n status = process_xtal(id, xtal, eng, criteria)\n print(xtal.get_xtal_string())\n\n return xtal, eng, status\n else:\n return None, None, False\n\n\ndef vasp_opt_single(id, xtal, path, cmd, criteria):\n \"\"\"\n Single VASP optimization for a given atomic xtal\n\n Args:\n id (int): id of the give xtal\n xtal: pyxtal instance\n path: calculation folder\n cmd: vasp command\n criteria (dicts): to check if the structure\n \"\"\"\n from pyxtal.interface.vasp import optimize as vasp_opt\n cwd = os.getcwd()\n path += '/g' + str(id)\n status = False\n\n xtal, eng, _, error = vasp_opt(xtal,\n path,\n cmd=cmd,\n walltime=\"59m\")\n if not error:\n status = process_xtal(id, xtal, eng, criteria)\n else:\n os.chdir(cwd)\n return xtal, eng, status\n\n\ndef gulp_opt_single(id, xtal, ff_lib, path, criteria):\n \"\"\"\n Perform a single GULP optimization for a given crystal structure.\n\n Args:\n id (int): Identifier for the current structure.\n xtal: PyXtal instance representing the crystal to be optimized.\n ff_lib (str): Force field library for GULP, e.g., 'reaxff', 'tersoff'.\n path (str): Path to the folder where the calculation is stored.\n criteria (dict): Dictionary to check the validity of the opt_structure.\n\n Returns:\n tuple:\n - xtal: Optimized PyXtal instance.\n - eng (float): Energy of the optimized structure.\n - status (bool): Whether the optimization process is successful.\n\n Behavior:\n This function performs a GULP optimization using the force field.\n After the optimization, it checks the validity of the structure and\n attempts to remove the calculation folder if it is empty.\n \"\"\"\n from pyxtal.interface.gulp import single_optimize as gulp_opt\n\n # Create the path for this specific structure\n path += '/g' + str(id)\n\n # Perform the optimization with GULP\n xtal, eng, _, error = gulp_opt(\n xtal,\n ff=ff_lib,\n label=str(id),\n path=path,\n symmetry=True,\n )\n\n # Default status to False, will be updated if successful\n status = False\n if not error:\n status = process_xtal(id, xtal, eng, criteria)\n try:\n os.rmdir(path)\n except:\n print(\"Folder is not empty\", path)\n return xtal, eng, status\n\n\ndef mace_opt_single(id, xtal, step, fmax, criteria):\n \"\"\"\n Perform a single MACE optimization for a given atomic crystal structure.\n\n Args:\n id (int): Identifier for the current structure.\n xtal: PyXtal instance representing the crystal structure.\n step (int): Maximum number of relaxation steps. Default is 250.\n fmax (float): fmax for relaxation\n criteria (dict): Dictionary to check the validity of the optimized structure.\n\n Returns:\n tuple:\n - xtal: Optimized PyXtal instance (or None if optimization failed).\n - eng (float): Energy/atom of the opt_structure (or None if it failed).\n - status (bool): Whether the optimization was successful.\n \"\"\"\n from pyxtal.interface.ase_opt import ASE_relax as mace_opt\n\n logger = logging.getLogger()\n atoms = xtal.to_ase(resort=False)\n s = mace_opt(atoms,\n 'MACE',\n opt_cell=True,\n step=step,\n fmax=fmax,\n max_time=9.0 * max([1, (len(atoms)/200)]),\n label=str(id))\n if s is None:\n logger.info(f\"mace_opt_single Failure {id}\")\n return None, None, False\n\n try:\n xtal = pyxtal()\n xtal.from_seed(s)\n eng = s.get_potential_energy() / len(s)\n status = process_xtal(id, xtal, eng, criteria)\n logger.info(f\"mace_opt_single Success {id}\")\n return xtal, eng, status\n except:\n logger.info(f\"mace_opt_single Bug {id}\")\n return None, None, False\n\n\ndef process_xtal(id, xtal, eng, criteria):\n status = xtal.check_validity(\n criteria) if criteria is not None else True\n if status:\n header = f\"{id:4d}\"\n dicts = {\"validity\": status, \"energy\": eng}\n print(xtal.get_xtal_string(header=header, dicts=dicts))\n return status\n\n\ndef make_entry_from_pyxtal(xtal):\n \"\"\"\n Generate an entry dictionary from a PyXtal object, assuming\n the SMILES and CCDC number information is provided.\n\n Args:\n xtal: PyXtal object (must contain the SMILES (`xtal.tag[\"smiles\"]`)\n and CCDC number (`xtal.tag[\"ccdc_number\"]`) in the `xtal.tag`.\n\n Returns:\n tuple: (ase_atoms, entry_dict, None)\n - ase_atoms: ASE Atoms object converted from the PyXtal structure.\n - entry_dict (dict): A dictionary containing information\n - None: Placeholder for future use (currently returns None).\n\n Structure of `entry_dict`:\n - \"csd_code\" (str): CSD code (if available) for the crystal structure.\n - \"mol_smi\" (str): SMILES representation of the molecule.\n - \"ccdc_number\" (str): CCDC identifier number.\n - \"space_group\" (str): Space group symbol of the crystal.\n - \"spg_num\" (int): Space group number.\n - \"Z\" (int): Number of molecules in the unit cell.\n - \"Zprime\" (float): Z' value of the crystal.\n - \"url\" (str): URL link to the CCDC database entry for the crystal.\n - \"mol_formula\" (str): Molecular formula of the structure.\n - \"mol_weight\" (float): Molecular weight of the structure.\n - \"mol_name\" (str): Name of the molecule, typically the CSD code.\n - \"l_type\" (str): Lattice type of the structure.\n\n Returns None if the PyXtal structure is invalid (i.e., `xtal.valid` is False).\n\n Example:\n entry = make_entry_from_pyxtal(xtal_instance)\n ase_atoms, entry_dict, _ = entry\n\n Notes:\n - The CCDC link is generated using the structure's CCDC number.\n \"\"\"\n\n from rdkit import Chem\n from rdkit.Chem.Descriptors import ExactMolWt\n from rdkit.Chem.rdMolDescriptors import CalcMolFormula\n\n if xtal.valid:\n url0 = \"https://www.ccdc.cam.ac.uk/structures/Search?Ccdcid=\"\n # Create RDKit molecule from SMILES string\n m = Chem.MolFromSmiles(xtal.tag[\"smiles\"])\n\n # Calculate molecular weight and molecular formula using RDKit\n mol_wt = ExactMolWt(m)\n mol_formula = CalcMolFormula(m)\n\n # Create a dictionary containing information\n kvp = {\n \"csd_code\": xtal.tag[\"csd_code\"],\n \"mol_smi\": xtal.tag[\"smiles\"],\n \"ccdc_number\": xtal.tag[\"ccdc_number\"],\n \"space_group\": xtal.group.symbol,\n \"spg_num\": xtal.group.number,\n \"Z\": sum(xtal.numMols),\n \"Zprime\": xtal.get_zprime()[0],\n \"url\": url0 + str(xtal.tag[\"ccdc_number\"]),\n \"mol_formula\": mol_formula,\n \"mol_weight\": mol_wt,\n \"mol_name\": xtal.tag[\"csd_code\"],\n \"l_type\": xtal.lattice.ltype,\n }\n # Return the ASE Atoms the entry dictionary, and None as a placeholder\n return (xtal.to_ase(), kvp, None)\n else:\n return None\n\n\ndef make_entry_from_CSD_web(code, number, smiles, name=None):\n \"\"\"\n make enetry dictionary from csd web https://www.ccdc.cam.ac.uk/structures\n\n Args:\n code: CSD style letter entry\n number: ccdc number\n smiles: the corresponding molecular smiles\n name: name of the compound\n \"\"\"\n\n # xtal = pyxtal(molecular=True)\n #\n # return make_entry_from_pyxtal(xtal)\n raise NotImplementedError(\"To do in future\")\n\n\ndef make_entry_from_CSD(code):\n \"\"\"\n make entry dictionary from CSD codes\n\n Args:\n code: a list of CSD codes\n \"\"\"\n from pyxtal.msg import CSDError\n\n xtal = pyxtal(molecular=True)\n try:\n xtal.from_CSD(code)\n return make_entry_from_pyxtal(xtal)\n\n except CSDError as e:\n print(\"CSDError\", code, e.message)\n return None\n\n\ndef make_db_from_CSD(dbname, codes):\n \"\"\"\n make database from CSD codes\n\n Args:\n dbname: db file name\n codes: a list of CSD codes\n \"\"\"\n # open\n db = database(dbname)\n\n # add structure\n for i, code in enumerate(codes):\n entry = make_entry_from_CSD(code)\n if entry is not None:\n db.add(entry)\n print(i, code)\n return db\n\n\nclass database:\n \"\"\"\n This is a database class to process crystal data.\n\n Args:\n db_name: `*.db` format from ase database\n \"\"\"\n\n def __init__(self, db_name):\n self.db_name = db_name\n # if not os.path.exists(db_name):\n # raise ValueError(db_name, 'doesnot exist')\n\n self.db = connect(db_name, serial=True)\n self.codes = self.get_all_codes()\n self.keys = [\n \"csd_code\",\n \"space_group\",\n \"spg_num\",\n \"Z\",\n \"Zprime\",\n \"url\",\n \"mol_name\",\n \"mol_smi\",\n \"mol_formula\",\n \"mol_weight\",\n \"l_type\",\n ]\n self.calculators = [\n \"charmm\",\n \"gulp\",\n \"ani\",\n \"dftb_D3\",\n \"dftb_TS\",\n ]\n\n def vacuum(self):\n self.db.vacuum()\n\n def get_all_codes(self, group=None):\n \"\"\"\n Get all codes\n \"\"\"\n codes = []\n for row in self.db.select():\n if row.csd_code not in codes:\n if group is None:\n codes.append(row.csd_code)\n else:\n if row.group == group:\n codes.append(row.csd_code)\n else:\n print(\"find duplicate! remove\", row.id, row.csd_code)\n self.db.delete([row.id])\n return codes\n # self.codes = codes\n\n def add(self, entry):\n (atom, kvp, data) = entry\n if kvp[\"csd_code\"] not in self.codes:\n kvp0 = self.process_kvp(kvp)\n self.db.write(atom, key_value_pairs=kvp0, data=data)\n self.codes.append(kvp[\"csd_code\"])\n\n def add_from_code(self, code):\n entry = make_entry_from_CSD(code)\n if entry is not None:\n self.add(entry)\n else:\n print(f\"{code:s} is not a valid entry\")\n\n def process_kvp(self, kvp):\n kvp0 = {}\n for key in self.keys:\n if key in kvp:\n kvp0[key] = kvp[key]\n else:\n print(\"Error, cannot find \", key, \" from the input\")\n return None\n return kvp0\n\n def check_status(self, show=False):\n \"\"\"\n Check the current status of each entry\n \"\"\"\n ids = []\n for row in self.db.select():\n if len(row.data.keys()) == len(self.calculators):\n ids.append(row.id)\n if show:\n row_info = self.get_row_info(id=row.id)\n self.view(row_info)\n else:\n print(row.csd_code) # , row.data['charmm_info']['prm'])\n return ids\n\n def copy(self, db_name, csd_codes):\n \"\"\"\n copy the entries to another db\n\n Args:\n db_name: db file name\n csd_codes: list of codes\n \"\"\"\n if db_name == self.db_name:\n raise RuntimeError(\"Cannot use the same db file for copy\")\n with connect(db_name, serial=True) as db:\n for csd_code in csd_codes:\n row_info = self.get_row_info(code=csd_code)\n (atom, kvp, data) = row_info\n db.write(atom, key_value_pairs=kvp, data=data)\n\n def view(self, row_info):\n \"\"\"\n print the summary of benchmark results\n\n Args:\n row: row object\n \"\"\"\n from pyxtal.representation import representation\n\n (atom, kvp, data) = row_info\n\n # Reference\n xtal = self.get_pyxtal(kvp[\"csd_code\"])\n rep = xtal.get_1D_representation()\n print(\"\\n\", kvp[\"csd_code\"], kvp[\"mol_smi\"], xtal.lattice.volume)\n print(rep.to_string() + \" reference\")\n\n # calcs\n for key in data:\n calc = key[:-5]\n time = data[key][\"time\"]\n\n rep = data[key][\"rep\"]\n if type(rep[0]) is not list:\n rep = [rep]\n rep = representation(rep, kvp[\"mol_smi\"]).to_string()\n\n (dv, msd1, msd2) = data[key][\"diff\"]\n strs = f\"{rep:s} {calc:8s} {time / 60:6.2f} {dv:6.3f}\"\n if msd1 is not None:\n strs += f\"{msd1:6.3f}{msd2:6.3f}\"\n print(strs)\n\n def get_row_info(self, id=None, code=None):\n match = False\n if id is not None:\n for row in self.db.select(id=id):\n match = True\n break\n elif code is not None:\n for row in self.db.select(csd_code=code):\n match = True\n break\n if match:\n kvp = {}\n for key in self.keys:\n kvp[key] = row.key_value_pairs[key]\n\n data0 = {}\n for calc in self.calculators:\n key = calc + \"_info\"\n if key in row.data:\n data0[key] = row.data[key]\n\n atom = self.db.get_atoms(id=row.id)\n return (atom, kvp, data0)\n else:\n msg = \"cannot find the entry from \" + id + code\n raise RuntimeError(msg)\n\n def get_row(self, code):\n for row in self.db.select(csd_code=code):\n return row\n msg = \"cannot find the entry from \" + code\n raise RuntimeError(msg)\n\n def get_pyxtal(self, code):\n from pyxtal import pyxtal\n from pyxtal.msg import ReadSeedError\n from pyxtal.util import ase2pymatgen\n\n row = self.get_row(code)\n atom = self.db.get_atoms(id=row.id)\n # Reference\n pmg = ase2pymatgen(atom)\n smi = row.mol_smi\n smiles = smi.split(\".\")\n molecules = [smile + \".smi\" for smile in smiles]\n\n xtal = pyxtal(molecular=True)\n try:\n xtal.from_seed(pmg, molecules=molecules)\n except ReadSeedError:\n xtal.from_seed(pmg, molecules=molecules, add_H=True)\n\n return xtal\n\n def compute(self, row, work_dir, skf_dir):\n if len(row.data.keys()) < len(self.calculators):\n # not label information, run antechamber\n atom = self.db.get_atoms(id=row.id)\n if \"gulp_info\" not in row.data:\n # pmg, c_info, g_info = get_parameters(row, atom)\n # row.data = {\"charmm_info\": c_info, \"gulp_info\": g_info}\n pass\n else:\n pmg = ase2pymatgen(atom)\n\n #data = compute(row, pmg, work_dir, skf_dir)\n #self.db.update(row.id, data=data)\n #print(\"updated the data for\", row.csd_code)\n\n\nclass database_topology:\n \"\"\"\n This is a database class to process atomic crystal data\n\n Args:\n db_name (str): `*.db` format from ase database\n rank (int): default 0\n size (int): default 1\n ltol (float): lattice tolerance\n stol (float): site tolerance\n atol (float): angle tolerance\n log_file (str): log_file\n \"\"\"\n\n def __init__(self, db_name, rank=0, size=1, ltol=0.05, stol=0.05, atol=3,\n log_file='db.log'):\n self.rank = rank\n self.size = size\n self.db_name = db_name\n self.db = connect(db_name, serial=True)\n self.keys = [\n \"space_group_number\",\n \"pearson_symbol\",\n \"similarity0\",\n \"similarity\",\n \"density\",\n \"dof\",\n \"topology\",\n \"topology_detail\",\n \"dimension\",\n \"wps\",\n \"ff_energy\",\n \"ff_lib\",\n \"ff_relaxed\",\n \"mace_energy\",\n \"mace_relaxed\",\n \"dftb_energy\",\n \"dftb_relaxed\",\n \"vasp_energy\",\n \"vasp_relaxed\",\n ]\n self.matcher = sm.StructureMatcher(\n ltol=ltol, stol=stol, angle_tol=atol)\n\n # Define logfile\n self.log_file = log_file\n logging.getLogger().handlers.clear()\n logging.basicConfig(format=\"%(asctime)s| %(message)s\",\n filename=self.log_file,\n level=logging.INFO)\n self.logging = logging\n\n def vacuum(self):\n self.db.vacuum()\n\n def print_memory_usage(self):\n import psutil\n process = psutil.Process(os.getpid())\n mem = process.memory_info().rss / 1024 ** 2\n self.logging.info(f\"Rank {self.rank} memory: {mem:.1f} MB\")\n print(f\"Rank {self.rank} memory: {mem:.1f} MB\")\n\n def get_pyxtal(self, id, use_relaxed=None, tol=1e-4):\n \"\"\"\n Get pyxtal based on row_id, if use_relaxed, get pyxtal from ff_relaxed\n\n Args:\n id (int): row id\n use_relaxed (str): 'ff_relaxed', 'vasp_relaxed'\n \"\"\"\n from pymatgen.core import Structure\n from pyxtal import pyxtal\n from pyxtal.util import ase2pymatgen\n from pyxtal.symmetry import Group\n\n row = self.db.get(id)\n #print(row.space_group_number, row.topology, row.pearson_symbol, row.wps, row.mace_energy)\n if use_relaxed is not None:\n if hasattr(row, use_relaxed):\n xtal_str = getattr(row, use_relaxed)\n pmg = Structure.from_str(xtal_str, fmt=\"cif\")\n else:\n print(f\"No {use_relaxed} attributes for structure\", id)\n atom = self.db.get_atoms(id=id)\n pmg = ase2pymatgen(atom)\n else:\n #hn = Group(row.space_group_number).hall_number\n xtal1 = pyxtal()\n #xtal1.from_seed('1.cif', tol=tol)#, hn=hn)\n atom = self.db.get_atoms(id=id)\n #print(row.topology)\n #atom.write('1.cif', format='cif')#, direct=True, vasp5=True)\n xtal1.from_seed(atom, tol=tol)#, hn=hn)\n pmg = ase2pymatgen(atom)\n\n xtal = pyxtal()\n try:\n xtal.from_seed(pmg, tol=tol)\n #if xtal.group.number != row.space_group_number: print(xtal); import sys; sys.exit()\n if xtal is not None and xtal.valid:\n for key in self.keys:\n if hasattr(row, key):\n setattr(xtal, key, getattr(row, key))\n return xtal\n except:\n print(xtal_str)\n #import sys; sys.exit()\n print(\"Cannot load the structure\")\n\n def get_all_xtals(self, include_energy=False):\n \"\"\"\n Get all pyxtal instances from the current db\n \"\"\"\n xtals = []\n for row in self.db.select():\n xtal = self.get_pyxtal(id=row.id)\n if xtal is not None:\n if include_energy and hasattr(row, 'vasp_energy'):\n xtal.energy = row.vasp_energy\n xtals.append(xtal)\n return xtals\n\n def add_xtal(self, xtal, kvp={}):\n \"\"\"\n Add new xtal to the given db\n \"\"\"\n spg_num = xtal.group.number\n density = xtal.get_density()\n dof = xtal.get_dof()\n wps = [s.wp.get_label() for s in xtal.atom_sites]\n _kvp = {\n \"space_group_number\": spg_num,\n \"pearson_symbol\": xtal.get_Pearson_Symbol(),\n \"wps\": str(wps),\n \"density\": density,\n \"dof\": dof,\n }\n kvp.update(_kvp)\n atoms = xtal.to_ase(resort=False)\n self.db.write(atoms, key_value_pairs=kvp)\n\n def add_strucs_from_db(self, db_file, check=False,\n id_min=0, id_max=None, tol=1e-3,\n freq=50, use_relaxed=None, sort=None,\n max_count=None, criteria=None,\n min_atoms=0, max_atoms=250,\n ignore_check='vasp_energy',\n same_number=False):\n \"\"\"\n Add new structures from another database file.\n\n Args:\n db_file (str): Path to the source database file\n check (bool): Whether to check if structure already exists before adding\n id_min (int): Starting ID to import from source database. Default is 0\n id_max (int): Ending ID to import from source database. Default is None\n tol (float): Tolerance in Angstroms for symmetry detection. Default is 1e-3\n freq (int): Print progress message every N structures. Default is 50\n use_relaxed (str): Relaxed structure to use - 'ff_relaxed', 'vasp_relaxed'\n Default is None to use unrelaxed structures\n sort (str): key to sort the structure, e.g. 'mace_energy'\n Default is None to use row.id\n max_count (int): Number of maximum structure to add\n Default is None to all all structures\n criteria (dict): criteria to check if a valid.\n \"\"\"\n cifname = 'my_add.cif'\n print(f\"\\nAdding new strucs from {db_file:s}\")\n\n count = 0\n with connect(db_file, serial=True) as db:\n if id_max is None:\n id_max = db.count()\n for row in db.select(sort=sort):\n if id_min <= row.id <= id_max:\n xtal = pyxtal()\n if use_relaxed is None:\n atoms = row.toatoms()\n try:\n xtal.from_seed(atoms, tol=tol)\n except:\n xtal = None\n content = (row.mace_energy, row.pearson_symbol, row.wps)\n print(\"Faild to load xtal\", content)\n else:\n with open(cifname, 'w') as f:\n f.write(getattr(row, use_relaxed))\n try:\n xtal.from_seed(cifname, tol=tol)\n except:\n xtal = None\n print(\"Faild to load xtal\", row.mace_energy, row.pearson_symbol, row.wps)\n\n if xtal is not None and xtal.valid:\n if criteria is not None and not xtal.check_validity(criteria):\n print(\"hit a invalid structure\", row.id, xtal.get_xtal_string())\n print(xtal)\n continue\n #print(xtal)\n mace_eng = None if not hasattr(row, 'mace_energy') else row.mace_energy\n atoms = xtal.to_ase()\n add = True\n if check:\n if not hasattr(row, ignore_check):\n add = self.check_new_structure(xtal, mace_eng,\n max_atoms=max_atoms,\n min_atoms=min_atoms,\n same_number=same_number)\n\n if add:\n kvp = {}\n for key in self.keys:\n if key == \"space_group_number\":\n kvp[key] = xtal.group.number\n elif key == \"density\":\n kvp[key] = xtal.get_density()\n elif key == \"dof\":\n kvp[key] = xtal.get_dof()\n elif key == \"wps\":\n kvp[key] = str([s.wp.get_label()\n for s in xtal.atom_sites])\n elif key == \"pearson_symbol\":\n kvp[key] = xtal.get_Pearson_Symbol()\n elif hasattr(row, key):\n kvp[key] = getattr(row, key)\n\n self.db.write(atoms, key_value_pairs=kvp)\n count += 1\n\n if count % freq == 0:\n print(f\"Adding {count:4d} strucs from {db_file:s}\")\n\n if max_count is not None and count == max_count:\n break\n else:\n print(\"Fail to convert xtal\")\n\n def check_new_structure(self, xtal, eng=None, same_group=False,\n same_number=False, d_tol=2e-1, e_tol=1e-2,\n max_atoms=250, min_atoms=0, return_id=False):\n \"\"\"\n Check if the input crystal structure already exists in the database.\n\n Args:\n xtal: PyXtal object representing the crystal structure to check\n eng (float, optional): Energy of the structure to compare\n same_group (bool): Whether to only compare structures with same space group\n d_tol (float): Tolerance for density comparison\n e_tol (float): Tolerance for energy comparison\n max_atoms (int): maximum number of atoms for checking\n min_atoms (int): minimum number of atoms for checking\n\n Returns:\n bool: True if structure is new/unique, False if it matches an existing structure\n\n Note:\n Compares structures based on:\n - Space group number (if same_group=True)\n - Density (within d_tol)\n - Energy (within e_tol if provided)\n - Structure similarity via pymatgen.analysis.structure_matcher\n \"\"\"\n if sum(xtal.numIons) > max_atoms or sum(xtal.numIons) < min_atoms:\n return True\n\n s_pmg = xtal.to_pymatgen()\n for row in self.db.select(sort='-id'): # Sort by id in descending order\n if row.natoms > max_atoms or row.natoms < min_atoms:\n continue\n if same_number and row.natoms != len(s_pmg):\n continue\n if eng is not None and abs(eng - row.mace_energy) > e_tol:\n continue\n if same_group and row.space_group_number != xtal.group.number:\n continue\n if abs(row.density - xtal.get_density()) > d_tol:\n continue\n ref = self.db.get_atoms(id=row.id)\n ref_pmg = ase2pymatgen(ref)\n if self.matcher.fit(s_pmg, ref_pmg, symmetric=True):\n print(\"skip the duplicate\", xtal.get_xtal_string())\n #print(row.id, row.space_group_number, row.wps, row.mace_energy, row.density)\n if return_id:\n return False, row.id\n else:\n return False\n if return_id:\n return True, None\n else:\n return True\n\n def clean_structures_spg_topology(self, dim=None):\n \"\"\"\n Clean up the db by removing duplicate structures based on their properties.\n\n Args:\n dim (int, optional): Filter structures by dimension. Only keep structures with this\n dimension if specified. Defaults to None.\n\n The function removes structures that have identical:\n - Number of atoms\n - Space group\n - Topology\n - Wyckoff positions (wps)\n\n \"\"\"\n\n unique_rows = []\n to_delete = []\n\n for row in self.db.select():\n unique = True\n # Ignore unwanted dimension\n if dim is not None and hasattr(row, \"dimension\") and row.dimension != dim:\n # print(row.dimension, dim)\n unique = False\n else:\n for prop in unique_rows:\n (natoms, spg, wps, topology) = prop\n if (natoms == row.natoms and spg == row.space_group_number and wps == row.wps) and hasattr(\n row, \"topology\"\n ):\n if row.topology == \"aaa\":\n if row.topology_detail == topology:\n unique = False\n break\n elif row.topology == topology:\n unique = False\n break\n if unique:\n if hasattr(row, \"topology\"):\n unique_rows.append(\n (\n row.natoms,\n row.space_group_number,\n row.wps,\n row.topology if row.topology != \"aaa\" else row.topology_detail,\n )\n )\n else:\n unique_rows.append(\n (row.natoms, row.space_group_number, row.wps, None))\n else:\n to_delete.append(row.id)\n if len(to_delete) > 0:\n print(len(to_delete), \"structures were deleted\", to_delete)\n self.db.delete(to_delete)\n\n def get_row(self, id):\n for row in self.db.select(id=id):\n return row\n raise RuntimeError(msg)\n\n def clean_structures(self, ids=(None, None), dtol=2e-3, etol=1e-3, criteria=None, eng_key='mace_energy'):\n \"\"\"\n Clean up the db by removing the duplicate structures\n Here we check the follow criteria\n - same number of atoms\n - same density\n - same energy\n\n Args:\n dtol (float): tolerance of density\n etol (float): tolerance of energy\n criteria (dict): including\n \"\"\"\n\n unique_rows = []\n to_delete = []\n ids, xtals = self.select_xtals(ids)\n for id, xtal in zip(ids, xtals):\n row = self.db.get(id)\n xtal = self.get_pyxtal(id)\n unique = True\n if criteria is not None:\n if not xtal.check_validity(criteria, True):\n unique = False\n print(\n \"Found unsatisfied criteria\",\n row.id,\n row.space_group_number,\n row.wps,\n )\n\n if unique and (\n \"MAX_energy\" in criteria and hasattr(\n row, eng_key) and getattr(row, key) > criteria[\"MAX_energy\"]\n ):\n unique = False\n print(\n \"Unsatisfied energy\",\n row.id,\n getattr(row, eng_key),\n row.space_group_number,\n row.wps,\n )\n if unique and (\n \"MAX_similarity\" in criteria\n and hasattr(row, \"similarity\")\n and row.similarity > criteria[\"MAX_similarity\"]\n ):\n unique = False\n print(\n \"Unsatisfied similarity\",\n row.id,\n row.similarity,\n row.space_group_number,\n row.wps,\n )\n if unique and (\n \"BAD_topology\" in criteria\n and hasattr(row, \"topology\")\n and row.topology[:3] in criteria[\"BAD_topology\"]\n ):\n unique = False\n print(\n \"Unsatisfied topology\",\n row.id,\n row.topology,\n row.space_group_number,\n row.wps,\n )\n if unique and (\n \"BAD_dimension\" in criteria\n and hasattr(row, \"dimension\")\n and row.dimension in criteria[\"BAD_dimension\"]\n ):\n unique = False\n print(\n \"Unsatisfied dimension\",\n row.id,\n row.topology,\n row.space_group_number,\n row.wps,\n )\n\n if unique:\n for prop in unique_rows:\n (natoms, spg, wps, den, energy) = prop\n if natoms == row.natoms and spg == row.space_group_number and wps == row.wps:\n if hasattr(row, eng_key) and energy is not None:\n if abs(getattr(row, eng_key) - energy) < etol:\n unique = False\n break\n elif abs(den - row.density) < dtol:\n unique = False\n break\n\n if unique:\n if hasattr(row, eng_key):\n unique_rows.append(\n (\n row.natoms,\n row.space_group_number,\n row.wps,\n row.density,\n row.ff_energy,\n )\n )\n else:\n unique_rows.append(\n (row.natoms, row.space_group_number, row.wps, row.density, None))\n else:\n to_delete.append(row.id)\n print(len(to_delete), \"structures were deleted\", to_delete)\n self.db.delete(to_delete)\n\n def clean_structures_pmg(self, ids=(None, None), min_id=None, dtol=5e-2, criteria=None):\n \"\"\"\n Clean up the database by removing duplicate structures based on density and pymatgen matcher.\n\n This method checks for duplicates by comparing structure density within a tolerance and using\n pymatgen's StructureMatcher. It can also filter structures based on various criteria like\n coordination numbers, energies, topology, etc.\n\n ids (tuple, optional): Range of IDs (min, max) to process. Defaults to (None, None).\n min_id (int, optional): Minimum ID to consider. Structures with lower IDs won't be deleted.\n Defaults to None.\n dtol (float, optional): Density tolerance for comparing structures. Defaults to 5e-2.\n criteria (dict, optional): Dictionary of filtering criteria. Defaults to None.\n Supported criteria keys:\n - 'CN': Dict of required coordination numbers per element\n - 'cutoff': Float, cutoff distance for connectivity\n - 'MAX_energy': Float, maximum allowed energy\n - 'MAX_similarity': Float, maximum allowed similarity value\n - 'BAD_topology': List of forbidden topology types\n - 'BAD_dimension': List of forbidden dimensionality values\n\n Example criteria:\n {\n 'CN': {'C': 3},\n 'BAD_dimension': [0, 2]\n }\n Returns:\n None. Modifies database in place by deleting duplicate/invalid structures.\n \"\"\"\n\n unique_rows = []\n to_delete = []\n\n ids, xtals = self.select_xtals(ids)\n if min_id is None:\n min_id = min(ids)\n\n for id, xtal in zip(ids, xtals):\n row = self.db.get(id)\n xtal = self.get_pyxtal(id)\n unique = True\n\n if id > min_id and criteria is not None:\n if not xtal.check_validity(criteria, True):\n unique = False\n print(\n \"Found unsatisfied criteria\",\n row.id,\n row.space_group_number,\n row.wps,\n )\n\n if unique and (\n \"MAX_energy\" in criteria and hasattr(\n row, \"ff_energy\") and row.ff_energy > criteria[\"MAX_energy\"]\n ):\n unique = False\n print(\n \"Unsatisfied energy\",\n row.id,\n row.ff_energy,\n row.space_group_number,\n row.wps,\n )\n if unique and (\n \"MAX_similarity\" in criteria\n and hasattr(row, \"similarity\")\n and row.similarity > criteria[\"MAX_similarity\"]\n ):\n unique = False\n print(\n \"Unsatisfied similarity\",\n row.id,\n row.similarity,\n row.space_group_number,\n row.wps,\n )\n if unique and (\n \"BAD_topology\" in criteria\n and hasattr(row, \"topology\")\n and row.topology[:3] in criteria[\"BAD_topology\"]\n ):\n unique = False\n print(\n \"Unsatisfied topology\",\n row.id,\n row.topology,\n row.space_group_number,\n row.wps,\n )\n if unique and (\n \"BAD_dimension\" in criteria\n and hasattr(row, \"dimension\")\n and row.dimension in criteria[\"BAD_dimension\"]\n ):\n unique = False\n print(\n \"Unsatisfied dimension\",\n row.id,\n row.topology,\n row.space_group_number,\n row.wps,\n )\n\n if unique and id > min_id:\n for prop in unique_rows:\n (rowid, den) = prop\n if abs(den - row.density) < dtol:\n ref_pmg = xtal.to_pymatgen()\n s_pmg = ase2pymatgen(self.db.get_atoms(id=rowid))\n # , symmetric=True):\n if self.matcher.fit(s_pmg, ref_pmg):\n print(\n \"Found duplicate\",\n row.id,\n row.space_group_number,\n row.wps,\n )\n unique = False\n break\n if unique:\n unique_rows.append((row.id, row.density))\n else:\n to_delete.append(row.id)\n print(len(to_delete), \"structures were deleted\", to_delete)\n self.db.delete(to_delete)\n\n def get_max_id(self):\n \"\"\"\n Get the maximum row id\n \"\"\"\n max_id = None\n for row in self.db.select():\n if max_id is None or row.id > max_id:\n max_id = row.id + 1\n return max_id\n\n def select_xtals(self, ids, N_atoms=(None, None), overwrite=False, attribute=None, use_relaxed=None):\n \"\"\"\n Extract xtals based on attribute name.\n\n Args:\n ids (tuple): Minimum and maximum row IDs to extract, e.g. (1, 10)\n N_atoms (tuple): Minimum and maximum number of atoms to extract, e.g. (2, 100)\n overwrite (bool): Whether to overwrite existing entries\n attribute (str): Attribute name to check for extraction\n use_relaxed (str): Type of relaxed structure to use ('ff_relaxed' or 'vasp_relaxed')\n\n Returns:\n tuple: (ids, xtals) where ids is a list of row IDs and xtals is a list of\n corresponding pyxtal objects\n \"\"\"\n (min_id, max_id) = ids\n if min_id is None: min_id = 1\n if max_id is None: max_id = self.get_max_id()\n\n (min_atoms, max_atoms) = N_atoms\n if min_atoms is None: min_atoms = 1\n if max_atoms is None: max_atoms = 5000\n\n ids, xtals = [], []\n for row in self.db.select():\n if attribute is None or (overwrite and not hasattr(row, attribute)):\n if min_id <= row.id <= max_id and min_atoms < row.natoms <= max_atoms:\n xtal = self.get_pyxtal(row.id, use_relaxed)\n ids.append(row.id)\n xtals.append(xtal)\n if len(xtals) % 100 == 0:\n print(\"Loading xtals from db\", len(xtals))\n return ids, xtals\n\n def select_xtal(self, ids, N_atoms=(None, None), overwrite=False, attribute=None, use_relaxed=None):\n \"\"\"\n Lazy extraction of selected xtals from the database.\n\n Args:\n ids (tuple): Minimum and maximum row IDs to extract, e.g. (1, 10)\n N_atoms (tuple): Minimum and maximum number of atoms to extract, e.g. (2, 100)\n overwrite (bool): Whether to overwrite existing entries\n attribute (str): Attribute name to check for extraction\n use_relaxed (str): Type of relaxed structure to use ('ff_relaxed' or 'vasp_relaxed')\n\n Yields:\n tuple: (id, xtal) where id is the row ID and xtal is the corresponding pyxtal object\n \"\"\"\n (min_id, max_id) = ids\n if min_id is None: min_id = 1\n if max_id is None: max_id = self.get_max_id()\n\n (min_atoms, max_atoms) = N_atoms\n if min_atoms is None: min_atoms = 1\n if max_atoms is None: max_atoms = 5000\n\n ids, xtals = [], []\n for row in self.db.select():\n if not overwrite and hasattr(row, attribute):\n continue\n\n #print(attribute, overwrite, hasattr(row, attribute), getattr(row, attribute))\n id, natoms = row.id, row.natoms\n if min_id <= id <= max_id and \\\n min_atoms < natoms <= max_atoms \\\n and id % self.size== self.rank:\n\n xtal = self.get_pyxtal(id, use_relaxed)\n yield id, xtal\n\n def update_row_energy(\n self,\n calculator='GULP',\n ids=(None, None),\n N_atoms=(None, None),\n ncpu=1,\n criteria=None,\n symmetrize=False,\n overwrite=False,\n write_freq=100,\n ff_lib='reaxff',\n steps=250,\n fmax=0.1,\n use_relaxed=None,\n cmd=None,\n calc_folder=None,\n skf_dir=None,\n ):\n \"\"\"\n Update the row energy in the database for a given calculator.\n\n Args:\n calculator (str): 'GULP', 'MACE', 'VASP', 'DFTB'\n ids (tuple): A tuple specifying row IDs to update (e.g., (0, 100)).\n ncpu (int): number of parallel processes\n criteria (dict, optional): Criteria when selecting structures.\n symmetrize (bool): symmetrize the structure before calculation\n overwrite (bool): overwrite the existing energy attributes.\n write_freq (int): frequency to update db for ncpu=1\n ff_lib (str): Force field to use for GULP ('reaxff' by default).\n steps (int): Number of optimization steps for DFTB (default is 250).\n fmax (float): force tolerance for mace (defalut is 0.1)\n use_relaxed (str, optional): Use relaxed structures (e.g. 'ff_relaxed')\n cmd (str, optional): Command for VASP calculations\n calc_folder (str, optional): calc_folder for GULP/VASP calculations\n skf_dir (str, optional): Directory for DFTB potential files\n\n Functionality:\n Using the selected calculator, it updates the energy rows of the\n database. If `ncpu > 1`, run in parallel; otherwise in serial.\n\n Calculator Options:\n - 'GULP': Uses a force field (e.g., 'reaxff').\n - 'MACE': Uses the MACE calculator.\n - 'DFTB': Uses DFTB+ with symmetrization options.\n - 'VASP': Uses VASP, with a specified command (`cmd`).\n \"\"\"\n label = calculator.lower() + \"_energy\"\n if calculator == 'GULP':\n label = 'ff_energy'\n if calc_folder is None:\n calc_folder = calculator.lower() + \"_calc\"\n\n if calculator != 'MACE':\n #self.logging.info(\"make new folders\", calc_folder, os.getpwd())\n os.makedirs(calc_folder, exist_ok=True)\n\n # Generate structures for calculation\n generator = self.select_xtal(ids, N_atoms, overwrite, label, use_relaxed)\n\n # Set up arguments for the chosen calculator\n args_up = []\n if calculator == 'GULP':\n args = [calculator, ff_lib, calc_folder, criteria]\n args_up = [ff_lib]\n elif calculator == 'MACE':\n args = [calculator, steps, fmax, criteria]\n elif calculator == 'DFTB':\n args = [calculator, skf_dir, steps, symmetrize, criteria]\n elif calculator == 'VASP':\n args = [calculator, calc_folder, cmd, criteria]\n else:\n raise ValueError(f\"Unsupported calculator: {calculator}\")\n\n # Perform calculation serially or in parallel\n self.logging.info(f\"Rank-{self.rank} row_energy {calculator} {self.db_name}\")\n if ncpu == 1:\n self.update_row_energy_serial(generator, write_freq, args, args_up)\n else:\n self.update_row_energy_mproc(ncpu, generator, args, args_up)\n self.logging.info(f\"Rank-{self.rank} complete update_row_energy\")\n\n def update_row_energy_serial(self, generator, write_freq, args, args_up):\n \"\"\"\n Perform a serial update of row energies\n\n Args:\n generator (generator): Yielding tuples of (id, xtal), where:\n - `id` (int): Unique identifier for the structure.\n - `xtal` (object): pyxtal instance.\n write_freq (int): Frequency to update the database.\n args (list): Additional arguments to the function `opt_single`.\n args_up (list): Additional arguments for function `_update_db`.\n\n Functionality:\n It iterates over structures provided by `generator`,\n optimizes them using `opt_single`, and collects results that have\n converged (`status == True`). Once the number of results\n reaches `write_freq`, it updates the database.\n \"\"\"\n results = []\n for id, xtal in generator:\n self.logging.info(f\"Processing {id} {xtal.lattice} {args[0]}\")\n print(f\"Processing {id} {xtal.lattice} {args[0]}\")\n res = opt_single(id, xtal, *args)\n (xtal, eng, status) = res\n if status:\n results.append((id, xtal, eng))\n if len(results) >= write_freq:\n self._update_db(results, args[0], *args_up)\n results = []\n self.print_memory_usage()\n if len(results) > 0:\n self._update_db(results, args[0], *args_up)\n\n def update_row_energy_mproc(self, ncpu, generator, args, args_up):\n \"\"\"\n Perform parallel row energy updates by optimizing atomic structures.\n\n Args:\n ncpu (int): Number of CPUs to use for parallel processing.\n generator (generator): yielding tuples of (id, xtal), where:\n - `id` (int): Unique identifier for the structure.\n - `xtal` (object): pyxtal instance.\n args (list): Additional arguments passed to `call_opt_single`.\n - Typically includes a calculator or potential parameters.\n args_up (list): Additional arguments for function `_update_db`.\n\n Functionality:\n This function distributes the structures across multiple CPUs\n using `multiprocessing.Pool`. It creates chunks (based on `ncpu`),\n and process them in parallel by calling `call_opt_single`.\n Successful results are periodically written to the database.\n The function also prints memory usage after each database update.\n\n Parallelization Process:\n - The `Pool` is initialized with `ncpu` processes.\n - Structures are divided into chunks with the `chunkify` function.\n - Each chunk is processed by `call_opt_single` via the pool.\n - Successful results are periodically written to the database.\n - The pool is closed and joined after processing is complete.\n \"\"\"\n from multiprocessing import Pool\n\n self.logging.info(f\"Parallel optimizations {ncpu}\")\n pool = Pool(processes=ncpu,\n initializer=setup_worker_logger,\n initargs=(self.log_file,))\n\n def chunkify(generator, chunk_size):\n chunk = []\n for item in generator:\n chunk.append(item)\n if len(chunk) == chunk_size:\n yield chunk\n chunk = []\n if chunk:\n yield chunk\n\n for chunk in chunkify(generator, ncpu*10):\n myargs = []\n for _id, xtal in chunk:\n if xtal is not None:\n myargs.append(tuple([_id, xtal] + args))\n\n results = []\n self.logging.info(f\"Start minicycle: {myargs[0][0]}-{myargs[-1][0]}\")\n for result in pool.imap_unordered(call_opt_single,\n myargs,\n chunksize=1):\n if result is not None:\n (myid, xtal, eng) = result\n if eng is not None:\n results.append(result)\n numIons = sum(xtal.numIons)\n count = len(results)\n self.logging.info(f\"Add {myid:4d} {eng:.3f} *{numIons} {count}\")\n\n # Only do frequent update for slow calculator VASP\n if len(results) >= ncpu and args[0] == 'VASP':\n self._update_db(results, args[0], *args_up)\n self.logging.info(f\"Finish minibatch: {len(results)}\")\n self.print_memory_usage()\n results = []\n\n self.logging.info(f\"Done minicycle: {myargs[0][0]}-{myargs[-1][0]}\")\n\n # After the loop, handle the remaining results\n if results:\n self.logging.info(f\"Start Update db: {len(results)}\")\n self._update_db(results, args[0], *args_up)\n self.logging.info(f\"Finish Update db: {len(results)}\")\n\n pool.close()\n pool.join()\n\n def _update_db(self, results, calc, *args):\n \"\"\"\n Update db with the calculation_results\n https://wiki.fysik.dtu.dk/ase/ase/db/db.html#writing-and-updating-many-rows-efficiently\n\n Args:\n results: list of (id, xtal, eng) tuples\n calc (str): calculator\n \"\"\"\n #self.logging.info(f\"====================Update db: {len(results)}\")\n if calc == 'GULP':\n ff_lib = args[0]\n\n with self.db:\n for result in results:\n (id, xtal, eng) = result\n if xtal is not None:\n if calc == 'GULP':\n self.db.update(id,\n ff_energy=eng,\n ff_lib=ff_lib,\n ff_relaxed=xtal.to_file())\n elif calc == 'MACE':\n self.db.update(id,\n mace_energy=eng,\n mace_relaxed=xtal.to_file())\n elif calc == 'VASP':\n self.db.update(id,\n vasp_energy=eng,\n vasp_relaxed=xtal.to_file())\n elif calc == 'DFTB':\n self.db.update(id,\n dftb_energy=eng,\n dftb_relaxed=xtal.to_file())\n #self.logging.info(f'update_db_{calc}, {id}')\n\n def update_row_topology(self, StructureType=\"Auto\", overwrite=True, prefix=None, ref_dim=3, timeout=60):\n \"\"\"\n Update row topology using CrystalNets.jl via subprocess (faster than juliacall).\n\n Args:\n StructureType (str): Type of structure to analyze. Options are:\n - 'Zeolite': For zeolite structures\n - 'MOF': For metal-organic frameworks\n - 'Auto': For automatic detection\n overwrite (bool): Whether to overwrite existing topology attributes.\n prefix (str): Prefix for temporary CIF files.\n ref_dim (int): Reference dimensionality to compare against.\n timeout (int): Timeout in seconds for each Julia call. Default is 60.\n \"\"\"\n import subprocess\n import json\n import os\n from time import time\n\n # Create Julia script for batch topology processing (handles multiple ARGS)\n julia_script = f\"\"\"\nusing CrystalNets\nusing JSON\n\nCrystalNets.toggle_warning(false)\nCrystalNets.toggle_export(false)\n\nstructure_type = \"{StructureType}\"\nif structure_type == \"Zeolite\"\n option = CrystalNets.Options(structure=CrystalNets.StructureType.Zeolite)\nelseif structure_type == \"MOF\"\n option = CrystalNets.Options(structure=CrystalNets.StructureType.MOF)\nelse\n option = CrystalNets.Options(structure=CrystalNets.StructureType.Auto)\nend\n\nfunction process_one(cif_file)\n try\n result = CrystalNets.determine_topology(cif_file, option)\n output = []\n results_list = length(result) > 1 ? collect(result) : [result[1]]\n for res in results_list\n name = string(res[1])\n count = res[2]\n genome = res[1][CrystalNets.Clustering.Auto]\n dim = CrystalNets.ndims(CrystalNets.PeriodicGraph(genome))\n push!(output, Dict(\"dim\" => dim, \"name\" => name, \"count\" => count))\n end\n return output\n catch e\n return Dict(\"error\" => string(e))\n end\nend\n\n# Process all input files and return an array aligned to ARGS\nfunction process_batch(files)\n results = Vector{{Any}}()\n for f in files\n push!(results, process_one(f))\n end\n return results\nend\n\nif length(ARGS) > 0\n println(JSON.json(process_batch(ARGS)))\nend\n\"\"\"\n\n # Save Julia script\n script_path = prefix + \"_process_topology.jl\"\n with open(script_path, \"w\") as f:\n f.write(julia_script)\n\n def parse_topology(topology_list):\n \"\"\"Parse topology list to get dimension, name, and detail\"\"\"\n dim = 0\n name = \"\"\n detail = \"None\"\n\n for i, topo in enumerate(topology_list):\n d = topo[\"dim\"]\n n = topo[\"name\"]\n\n if d > dim:\n dim = d\n\n tmp = n.split(\",\")[0]\n if tmp.startswith(\"UNKNOWN\"):\n detail = tmp[7:]\n tmp = \"aaa\"\n elif tmp.startswith(\"unstable\"):\n tmp = \"unstable\"\n\n name += tmp\n if topo[\"count\"] > 1:\n name += f\"({topo['count']})\"\n\n if i + 1 < len(topology_list):\n name += \"-\"\n\n return dim, name, detail\n\n # Collect rows to process\n rows_to_process = []\n for row in self.db.select():\n if overwrite or not hasattr(row, \"topology\"):\n rows_to_process.append(row.id)\n\n if len(rows_to_process) == 0:\n self.logging.info(\"No rows to process for topology update\")\n return\n\n self.logging.info(f\"Processing {len(rows_to_process)} structures for topology\")\n\n # Process structures in batches of 100: write CIFs once, call Julia once per batch\n updates = []\n batch_size = 100\n\n def write_cifs_for_batch(batch_ids):\n files = []\n for row_id in batch_ids:\n atoms = self.db.get_atoms(row_id)\n cif_file = f\"{prefix}_{row_id}.cif\" if prefix is not None else f\"tmp_{row_id}.cif\"\n atoms.write(cif_file, format=\"cif\", parallel=False)\n files.append(cif_file)\n return files\n\n def cleanup_files(files):\n for f in files:\n try:\n if os.path.exists(f):\n os.remove(f)\n except Exception:\n pass\n\n # Loop over rows_to_process in chunks\n for start in range(0, len(rows_to_process), batch_size):\n end = min(start + batch_size, len(rows_to_process))\n batch_ids = rows_to_process[start:end]\n\n # 1) Write all CIFs for the batch\n cif_files = write_cifs_for_batch(batch_ids)\n\n # 2) Call Julia once with all file paths as arguments\n try:\n t0 = time()\n result = subprocess.run(\n [\"julia\", script_path, *cif_files],\n capture_output=True,\n text=True,\n timeout=timeout\n )\n elapsed = time() - t0\n\n if result.returncode != 0:\n self.logging.warning(f\"Julia failed for batch {start}-{end}: {result.stderr}\")\n # Mark all as errors in this batch\n for row_id in batch_ids:\n updates.append((row_id, \"error\", 3, \"julia_error\"))\n else:\n # Expect JSON array of results aligned with inputs\n try:\n batch_output = json.loads(result.stdout.strip())\n except Exception as e:\n self.logging.warning(f\"Failed to parse JSON for batch {start}-{end}: {e}\")\n for row_id in batch_ids:\n updates.append((row_id, \"error\", 3, \"json_error\"))\n cleanup_files(cif_files)\n continue\n\n # If single file, CrystalNets returns object; normalize to list\n if isinstance(batch_output, dict) and (\"error\" in batch_output or \"dim\" in batch_output):\n batch_output = [batch_output]\n\n # If Julia printed one JSON object per line, split and parse\n if not isinstance(batch_output, list):\n lines = [line for line in result.stdout.splitlines() if line.strip()]\n batch_output = []\n for line in lines:\n try:\n batch_output.append(json.loads(line))\n except Exception:\n batch_output.append({\"error\": \"line_parse_error\"})\n\n # 3) Map results back to row ids\n print(f\"Batch output length: {len(batch_output)}, expected: {len(batch_ids)}, elapsed: {elapsed:.2f}s\")\n for idx, row_id in enumerate(batch_ids):\n\n #print(f\"Processing result for row {row_id}, index {idx}, {batch_output[idx]}\")\n if idx >= len(batch_output):\n updates.append((row_id, \"error\", 3, \"missing_output\"))\n continue\n out = batch_output[idx]\n\n # out should be a list of topo dicts for this file; handle both list/dict\n topo_list = out if isinstance(out, list) else [out]\n dim, name, detail = parse_topology(topo_list)\n if name.startswith(\"FAILED\"):\n name = '0-dimensional'\n\n # Optional verbose line for matches\n if dim == ref_dim:\n row = self.db.get(row_id)\n print(f\"Row {row_id}: {row.space_group_number} {row.wps} dim={dim} {name}\")\n\n updates.append((row_id, name, dim, detail))\n\n except subprocess.TimeoutExpired:\n self.logging.warning(f\"Timeout for batch {start}-{end} after {timeout}s\")\n for row_id in batch_ids:\n updates.append((row_id, \"timeout\", 3, \"timeout\"))\n except Exception as e:\n self.logging.warning(f\"Error processing batch {start}-{end}: {e}\")\n for row_id in batch_ids:\n updates.append((row_id, \"error\", 3, str(e)[:100]))\n finally:\n # 4) Clean up CIF files for this batch\n cleanup_files(cif_files)\n\n # 5) Write batch results to DB\n if updates:\n self.logging.info(f\"Batch updating {len(updates)} rows\")\n with self.db:\n for (rid, tname, tdim, tdetail) in updates:\n self.db.update(rid, topology=tname, dimension=tdim, topology_detail=tdetail)\n updates = []\n\n # Clean up Julia script\n if os.path.exists(script_path):\n os.remove(script_path)\n\n self.logging.info(f\"Completed topology update for {len(rows_to_process)} structures\")\n\n def update_db_description(self):\n \"\"\"\n Update database description using robocrys.\n\n Uses robocrystallographer (https://github.com/hackingmaterials/robocrystallographer)\n to generate natural language descriptions of crystal structures.\n\n For each row in the database that doesn't have a description:\n 1. Converts ASE atoms to pymatgen structure\n 2. Uses StructureCondenser to analyze bonding/connectivity\n 3. Uses StructureDescriber to generate text description\n 4. Updates the database row with the description\n\n Note:\n Use it with caution, as it may take a long time to run.\n \"\"\"\n from robocrys import StructureCondenser, StructureDescriber\n\n condenser = StructureCondenser()\n describer = StructureDescriber()\n\n for row in self.db.select():\n if not hasattr(row, \"description\"):\n atoms = self.db.get_atoms(row.id)\n pmg = ase2pymatgen(atoms)\n try:\n condensed_structure = condenser.condense_structure(pmg)\n description = describer.describe(condensed_structure)\n except:\n description = \"N/A\"\n\n self.db.update(row.id, description=description)\n print(\"\\n======Updating\\n\", description)\n else:\n print(\"\\n======Existing\\n\", row.description)\n\n def export_structures(\n self,\n fmt=\"vasp\",\n folder=\"mof_out\",\n criteria=None,\n sort_by=\"similarity\",\n overwrite=True,\n cutoff=None,\n use_relaxed=None,\n ):\n \"\"\"\n Export structures from database according to given criteria.\n\n Args:\n fmt (str): Output format (``vasp`` or ``cif``)\n folder (str): Path to output folder\n criteria (dict): Dictionary of validity criteria\n sort_by (str): Attribute to sort structures by\n overwrite (bool): Whether to remove existing output folder\n cutoff (int): Maximum number of structures to export\n use_relaxed (str, optional): e.g., ``ff_relaxed`` or ``vasp_relaxed``\n \"\"\"\n\n import shutil\n\n if cutoff is None:\n cutoff = self.db.count()\n if not os.path.exists(folder):\n os.makedirs(folder)\n else:\n if overwrite:\n shutil.rmtree(folder)\n os.makedirs(folder)\n\n keys = [\n \"id\",\n \"pearson_symbol\",\n \"space_group_number\",\n \"density\",\n \"dof\",\n \"similarity\",\n \"ff_energy\",\n \"vasp_energy\",\n \"mace_energy\",\n \"topology\",\n ]\n properties = []\n for row in self.db.select():\n spg = row.space_group_number\n den = row.density\n dof = row.dof\n ps = row.pearson_symbol\n sim = float(row.similarity) if hasattr(\n row, \"similarity\") and row.similarity is not None else None\n top = row.topology if hasattr(row, \"topology\") else None\n ff_eng = float(row.ff_energy) if hasattr(\n row, \"ff_energy\") else None\n vasp_eng = float(row.vasp_energy) if hasattr(\n row, \"vasp_energy\") else None\n mace_eng = float(row.mace_energy) if hasattr(\n row, \"mace_energy\") else None\n properties.append([row.id, ps, spg, den, dof,\n sim, ff_eng, vasp_eng, mace_eng,\n top])\n\n dicts = {}\n for i, key in enumerate(keys):\n if properties[0][i] is not None:\n dicts[key] = [prop[i] for prop in properties]\n\n if sort_by in keys:\n col = keys.index(sort_by) # + 1\n else:\n print(\"supported attributes\", keys)\n raise ValueError(\"Cannot sort by\", sort_by)\n\n print(f\"====Exporting {len(properties)} structures\")\n properties = [prop for prop in properties if prop[col] is not None]\n sorted_properties = sorted(properties, key=lambda x: x[col])\n\n for entry in sorted_properties[:cutoff]:\n [id, ps, spg, den, dof, sim, ff_eng, vasp_eng, mace_eng, top] = entry\n id = int(id)\n spg = int(spg)\n sim = float(sim)\n den = float(den)\n dof = int(dof)\n if vasp_eng is not None:\n eng = float(vasp_eng)\n elif mace_eng is not None:\n eng = float(mace_eng)\n elif ff_eng is not None:\n eng = float(ff_eng)\n else:\n eng = None\n if True:\n #try:\n xtal = self.get_pyxtal(id, use_relaxed)\n number, symbol = xtal.group.number, xtal.group.symbol.replace(\n \"/\", \"\")\n # convert to the desired subgroup representation if needed\n #if number != spg:\n # paths = xtal.group.path_to_subgroup(spg)\n # xtal = xtal.to_subgroup(paths)\n # number, symbol = (\n # xtal.group.number,\n # xtal.group.symbol.replace(\"/\", \"\"),\n # )\n\n label = os.path.join(\n folder,\n f\"{id:d}-{xtal.get_Pearson_Symbol():s}-{number:d}-{symbol:s}\",\n )\n\n status = xtal.check_validity(\n criteria, True) if criteria is not None else True\n #except:\n # status = False\n # label = \"Error\"\n\n if status:\n try:\n # if True:\n xtal.set_site_coordination()\n for s in xtal.atom_sites:\n _l, _sp, _cn = s.wp.get_label(), s.specie, s.coordination\n label += f\"-{_l:s}-{_sp:s}{_cn:d}\"\n label += f\"-S{sim:.3f}\"\n if len(label) > 40:\n label = label[:40]\n except:\n print(\"Problem in setting site coordination\")\n\n if den is not None:\n label += f\"-D{abs(den):.2f}\"\n if eng is not None:\n label += f\"-E{abs(eng):.3f}\"\n if top is not None:\n label += f\"-T{top:s}\"\n # if sim is not None: label += '-S{:.2f}'.format(sim)\n\n print(\"====Exporting:\", label)\n if fmt == \"vasp\":\n xtal.to_file(label + \".vasp\", fmt=\"poscar\")\n elif fmt == \"cif\":\n xtal.to_file(label + \".cif\")\n else:\n print(\"====Skippng: \", label)\n\n return dicts\n\n def get_label(self, i):\n if i < 10:\n folder = f\"cpu00{i}\"\n elif i < 100:\n folder = f\"cpu0{i}\"\n else:\n folder = f\"cpu0{i}\"\n return folder\n\n def get_db_unique(self, db_name=None, prec=3, key='ff_energy', max_N_atoms=64):\n \"\"\"\n Get a database file containing only unique structures based on topology and energy.\n\n Args:\n db_name (str, optional): Filename for the new database.\n If None, will use original name with '_unique' suffix.\n prec (int, optional): Precision for rounding energy values. Default is 3.\n key (str, optional): Energy attribute name to use for filtering.\n Default is 'ff_energy'.\n max_N_atoms (int, optional): Maximum n_atoms for pmg match. Default is 64.\n\n Returns:\n int: Number of unique structures in the new database.\n\n Note:\n Two structures are considered identical if they have:\n - Same density value (within precision)\n - Same energy value (within precision)\n - Pymatgen match\n\n When duplicates are found, the structure with lower DOF is kept.\n \"\"\"\n from pymatgen.analysis.structure_matcher import StructureMatcher\n matcher = StructureMatcher(stol=0.3, ltol=0.2, angle_tol=5)\n\n print(f\"The {self.db_name:s} has {self.db.count():d} strucs\")\n if db_name is None:\n db_name = self.db_name[:-3] + \"_unique.db\"\n if os.path.exists(db_name):\n os.remove(db_name)\n\n lists = []\n for row in self.db.select():\n if hasattr(row, key) and getattr(row, key) is not None:\n dof, den, energy = row.dof, round(row.density, prec), round(getattr(row, key), prec)\n spg, wps = row.space_group_number, row.wps\n is_unique = True\n pmg = ase2pymatgen(row.toatoms())\n list_entry = (row.id, dof, den, energy, spg, wps, pmg)\n for list_entry_existing in lists:\n (_id, _dof, _den, _energy, _spg, _wps, _pmg) = list_entry_existing\n if den == _den and energy == _energy:\n # check pymatgen match\n if len(_pmg) > max_N_atoms or len(pmg) > max_N_atoms:\n if spg == _spg and wps == _wps:\n is_unique = False\n print(\"Duplicate\", row.id, den, energy)\n break\n # for large structures, skip pymatgen match to save time\n else:\n if matcher.fit(pmg, _pmg):\n is_unique = False\n if dof < _dof:\n print(\"Updating\", row.id, den, energy)\n lists.remove(list_entry_existing)\n lists.append(list_entry)\n else:\n print(\"Duplicate\", row.id, den, energy)\n break\n if is_unique:\n print(\"Adding\", row.id, den, energy)\n lists.append(list_entry)\n ids = [entry[0] for entry in lists]\n with connect(db_name, serial=True) as db:\n for id in ids:\n row = self.db.get(id)\n kvp = {}\n for key in self.keys:\n if hasattr(row, key):\n kvp[key] = getattr(row, key)\n db.write(row.toatoms(), key_value_pairs=kvp)\n print(f\"Created {db_name:s} with {db.count():d} strucs\")\n return db.count()\n\n def get_db_unique_topology(self, db_name=None, prec=3, update_topology=True, key='ff_energy'):\n \"\"\"\n Get a database file containing only unique structures based on topology and energy.\n\n Args:\n db_name (str, optional): Filename for the new database.\n If None, will use original name with '_unique' suffix.\n prec (int, optional): Precision for rounding energy values. Default is 3.\n update_topology (bool, optional): Whether to update topology before filtering.\n Default is True.\n key (str, optional): Energy attribute name to use for filtering.\n Default is 'ff_energy'.\n\n Returns:\n int: Number of unique structures in the new database.\n\n Note:\n Two structures are considered identical if they have:\n - Same topology\n - Same topology detail\n - Same energy value (within precision)\n\n When duplicates are found, the structure with lower DOF is kept.\n \"\"\"\n\n print(f\"The {self.db_name:s} has {self.db.count():d} strucs\")\n if db_name is None:\n db_name = self.db_name[:-3] + \"_unique.db\"\n if os.path.exists(db_name):\n os.remove(db_name)\n\n unique_props = {} # Using a dictionary to store unique properties\n if update_topology: self.update_row_topology()\n for row in self.db.select():\n if hasattr(row, key) and getattr(row, key) is not None:\n top, top_detail = row.topology, row.topology_detail\n dof, energy = row.dof, round(getattr(row, key), prec)\n prop_key = (top, top_detail, energy)\n # A dictionary lookup\n if prop_key in unique_props:\n _id, _dof = unique_props[prop_key]\n if dof < _dof:\n print(\"Updating\", row.id, top, energy)\n unique_props[prop_key] = (row.id, dof)\n else:\n print(\"Duplicate\", row.id, top, energy)\n else:\n print(\"Adding\", row.id, top, energy)\n unique_props[prop_key] = (row.id, dof)\n\n\n ids = [unique_props[key][0] for key in unique_props.keys()]\n with connect(db_name, serial=True) as db:\n for id in ids:\n row = self.db.get(id)\n kvp = {}\n for key in self.keys:\n if hasattr(row, key):\n kvp[key] = getattr(row, key)\n db.write(row.toatoms(), key_value_pairs=kvp)\n print(f\"Created {db_name:s} with {db.count():d} strucs\")\n return db.count()\n\n def check_overlap(self, reference_db, etol=2e-3, verbose=True):\n \"\"\"\n Check the overlap with a reference database.\n\n Args:\n reference_db (str): Path to the reference database file\n etol (float, optional): Energy tolerance for identifying identical structures.\n Default is 2e-3.\n verbose (bool, optional): Whether to print detailed overlap information.\n Default is True.\n\n Returns:\n list: List of overlapping structures, where each entry contains:\n (id, pearson_symbol, dof, topology, ff_energy)\n\n Note:\n Two structures are considered overlapping if they have:\n - Same topology\n - Same topology detail\n - Force field energies within etol of each other\n \"\"\"\n\n db_ref = database_topology(reference_db, log_file = self.log_file)\n print(f\"\\nCurrent database {self.db_name}: {self.db.count()}\")\n print(f\"Reference database {db_ref.db_name}: {db_ref.db.count()}\")\n\n ref_data = []\n for row in db_ref.db.select():\n if hasattr(row, \"topology\") and hasattr(row, \"ff_energy\"):\n ref_data.append(\n (row.topology, row.topology_detail, row.ff_energy))\n\n overlaps = []\n for row in self.db.select():\n if hasattr(row, \"topology\") and hasattr(row, \"ff_energy\"):\n for ref in ref_data:\n (top, top_detail, ff_energy) = ref\n if (\n row.topology == top\n and row.topology_detail == top_detail\n and abs(row.ff_energy - ff_energy) < etol\n ):\n # strs = 'Find {:4d} {:6s}'.format(row.id, row.pearson_symbol)\n # strs += ' {:12s} {:10.3f}'.format(row.topology, row.ff_energy)\n # print(strs)\n overlaps.append(\n (\n row.id,\n row.pearson_symbol,\n row.dof,\n row.topology,\n row.ff_energy,\n )\n )\n break\n strs = f\"\\nThe number of overlap is: {len(overlaps):d}\"\n strs += f\"/{self.db.count():d}/{db_ref.db.count():d}\"\n print(strs)\n sorted_overlaps = sorted(overlaps, key=lambda x: x[-1])\n if verbose:\n for entry in sorted_overlaps:\n print(\"{:4d} {:6s} {:4d} {:20s} {:10.3f}\".format(*entry))\n\n return overlaps\n\n def print_info(self, excluded_ids=None, cutoff=100):\n \"\"\"\n Print out the summary of the database based on the calculated energy\n Mostly used to quickly view the most interesting low-energy structures.\n Todo: show vasp_energy if available\n\n Args:\n excluded_ids (list): list of unwanted row ids\n cutoff (int): the cutoff value for the print\n \"\"\"\n if excluded_ids is None:\n excluded_ids = []\n print(f\"\\nCurrent database {self.db_name}: {self.db.count()}\")\n output = []\n for row in self.db.select():\n if row.id not in excluded_ids and hasattr(row, \"topology\") and hasattr(row, \"ff_energy\"):\n output.append(\n (\n row.id,\n row.pearson_symbol,\n row.dof,\n row.topology,\n row.ff_energy,\n )\n )\n\n sorted_output = sorted(output, key=lambda x: x[-1])\n for entry in sorted_output[:cutoff]:\n print(\"{:4d} {:6s} {:4d} {:20s} {:10.3f}\".format(*entry))\n\n strs = f\"Showed structures: {len(sorted_output)}/{self.db.count()}\"\n print(strs)\n\n def plot_histogram(self, prop, ax=None, filename=None, xlim=None, nbins=20):\n \"\"\"\n Plot the histogram of a specified row property.\n\n Args:\n prop (str): The name of the property to plot (e.g., 'ff_energy').\n ax (matplotlib.axes.Axes, optional): Pre-existing axis to plot on.\n If None, a new ax will be created.\n filename (str, optional): Path to save the plot (e.g., 'plot.png').\n If None, the plot will not be saved.\n xlim (tuple, optional): Limits for the x-axis (e.g., (0, 10)).\n If None, the x-axis will scale automatically.\n nbins (int, optional): Number of bins for the histogram. Default is 20.\n\n Returns:\n matplotlib.axes.Axes: The axis object with the histogram plotted.\n \"\"\"\n import matplotlib.pyplot as plt\n\n if ax is None:\n f, ax = plt.subplots()\n\n # Get the properties from the database\n props = self.get_properties(prop)\n\n # Check if there are values to plot\n if not props:\n raise ValueError(f\"No rows contain the property '{prop}'.\")\n\n ax.hist(props, nbins, density=True, alpha=0.75)\n\n # Set x-axis limits if provided\n if xlim is not None:\n ax.set_xlim(xlim)\n\n ax.set_xlabel(prop)\n\n # Save the plot if a filename is provided\n if filename is not None:\n plt.savefig(filename)\n\n return ax\n\n def get_properties(self, prop):\n \"\"\"\n Retrieve a list of specific property values from the database rows.\n\n Args:\n prop (str): The property name to retrieve (e.g., 'ff_energy')\n\n Returns:\n list: A list of property values for rows that have the specified property.\n If a row does not contain the property, it is ignored.\n\n Raises:\n Warning: If no rows in the database contain the specified property.\n \"\"\"\n\n props = []\n\n # Loop through all rows in the database and collect the property values\n for row in self.db.select():\n if hasattr(row, prop):\n props.append(getattr(row, prop))\n\n # Print summary of rows\n name, count = self.db_name, self.db.count()\n print(f\"Database {name} has {prop}: {len(props)}/{count}\")\n\n # Warn if no properties were found\n if count == 0:\n raise Warning(\n f\"No rows in the database contain the property '{prop}'.\")\n\n return props\n\n\nif __name__ == \"__main__\":\n # open\n if False:\n db = database(\"test.db\")\n print(\"Total number of entries\", len(db.codes))\n\n # view structure\n c = db.get_pyxtal(\"HXMTAM\")\n print(c)\n if False:\n db = database_topology(\"../MOF-Builder/C-sp2/sp2-sacada-0506.db\")\n # xtal = db.get_pyxtal(1)\n # print(xtal)\n # db.add_xtal(xtal, kvp={'similarity': 0.1})\n\n # db.update_row_ff_energy(ids=(0, 2), overwrite=True)\n # db.update_row_ff_energy(ncpu=2, ids=(2, 20), overwrite=True)\n # brew install coreutils to get timeout in maca\n # os.environ['ASE_DFTB_COMMAND'] = 'timeout 1m /Users/qzhu8/opt/dftb+/bin/dftb+ > PREFIX.out'\n os.environ[\"ASE_DFTB_COMMAND\"] = \"/Users/qzhu8/opt/dftb+/bin/dftb+ > PREFIX.out\"\n skf_dir = \"/Users/qzhu8/GitHub/MOF-Builder/3ob-3-1/\"\n # db.update_row_dftb_energy(skf_dir, ncpu=1, ids=(0, 2), overwrite=True)\n db.update_row_dftb_energy(\n skf_dir, ncpu=1, ids=(17, 17), overwrite=True)\n\n db = database_topology(\"total.db\")\n db.get_db_unique()\n db1 = database_topology(\"sp2_sacada.db\")\n db1.get_db_unique()\n db = database_topology(\"total_unique.db\")\n db.check_overlap(\"sp2_sacada_unique.db\")\n db1.export_structures(folder=\"mof_out_sacada\")\n" }, { "path": "pyxtal/descriptor.py", "content": "\"\"\"\nModule for crystal packing descriptor from energy decomposition\n\"\"\"\n\nimport numpy as np\nfrom scipy.optimize import minimize\nfrom scipy.spatial.transform import Rotation\nfrom scipy.special import sph_harm\nfrom scipy.stats import qmc\n\n\ndef _qlm(dists, l=4):\n \"\"\"\n Calculates the vector associated with an atomic site and\n one of its neighbors\n\n Args:\n distss: a list of distance vectors\n l: free integer quantum number\n Returns:\n q: numpy array(complex128), the complex vector qlm normalized\n by the number of nearest neighbors\n \"\"\"\n # initiate variable as a complex number\n q = np.zeros(2 * l + 1, dtype=np.complex128)\n neighbors_count = len(dists)\n\n for i, m in enumerate(range(-l, l + 1)):\n for _j, r_vec in enumerate(dists):\n # find the position vector of the site/neighbor pair\n r_mag = np.linalg.norm(r_vec)\n theta = np.arccos(r_vec[2] / r_mag)\n if abs((r_vec[2] / r_mag) - 1.0) < 10.0 ** (-8.0):\n theta = 0.0\n elif abs((r_vec[2] / r_mag) + 1.0) < 10.0 ** (-8.0):\n theta = np.pi\n\n # phi\n if r_vec[0] < 0.0:\n phi = np.pi + np.arctan(r_vec[1] / r_vec[0])\n elif r_vec[0] > 0.0 and r_vec[1] < 0.0:\n phi = 2 * np.pi + np.arctan(r_vec[1] / r_vec[0])\n elif r_vec[0] > 0.0 and r_vec[1] >= 0.0:\n phi = np.arctan(r_vec[1] / r_vec[0])\n elif r_vec[0] == 0.0 and r_vec[1] > 0.0:\n phi = 0.5 * np.pi\n elif r_vec[0] == 0.0 and r_vec[1] < 0.0:\n phi = 1.5 * np.pi\n else:\n phi = 0.0\n\n q[i] += sph_harm(m, l, phi, theta)\n # normalize by number of neighbors\n return q / neighbors_count\n\n\ndef correlation(coef1, coef2, angle=None, s=0):\n \"\"\"\n Compute the correlation between to sph coefs\n\n Args:\n coef1: sph coefficients 1\n coef2: sph coefficients 2\n angle: [alpha, beta, gamma]\n s: starting index of coefs\n\n Return:\n distance scaled in [0, 1]\n \"\"\"\n if angle is not None:\n coef2 = coef2.rotate(angle[0], angle[1], angle[2], degrees=True)\n power = np.sqrt(coef1.spectrum()[s:].sum() * coef2.spectrum()[s:].sum())\n cross = coef1.cross_spectrum(coef2)[s:]\n return cross.sum() / power\n\n\ndef correlation_opt(coef1, coef2, angle, s=0):\n \"\"\"\n Compute the correlation between two sph coefs\n\n Args:\n coef1: sph coefficients 1\n coef2: sph coefficients 2\n angle: [alpha, beta, gamma]\n s: starting index of coefs\n\n Return:\n distance scaled in [0, 1]\n \"\"\"\n\n def fun(x0, coef1, coef2, s):\n coef = coef2.rotate(x0[0], x0[1], x0[2], degrees=True)\n return -correlation(coef1, coef, s=s)\n\n res = minimize(\n fun,\n angle,\n args=(coef1, coef2, s),\n method=\"Nelder-Mead\",\n options={\"maxiter\": 20},\n )\n return -res.fun, res.x\n\n\ndef correlation_go(coef1, coef2, M=6, s=0, d_cut=0.92):\n \"\"\"\n global optimization of two coefs based on quasi random sampling\n\n Args:\n coef1: sph coefficients 1\n coef2: sph coefficients 2\n M: 2^M sampling points\n s: starting index of coefs\n\n Return:\n distance scaled in [0, 1]\n\n \"\"\"\n sampler = qmc.Sobol(d=3, scramble=False)\n sample = sampler.random_base2(m=M)\n sample = qmc.scale(sample, [-180, -90, -180], [180, 90, 180])\n\n ds, angles = [], []\n for angle in sample:\n d, angle = correlation_opt(coef1, coef2, angle, s=0)\n ds.append(d)\n angles.append(angle)\n if d > d_cut * 1.1:\n break\n ds = np.array(ds)\n id = np.argmax(ds)\n return ds[id], angles[id]\n\n\ndef fibonacci_sphere(N=1000):\n \"\"\"\n Sampling the sphere grids\n\n Args:\n N: number of pts to generate\n\n Returns:\n 3D points array in Cartesian coordinates\n \"\"\"\n points = []\n phi = np.pi * (3.0 - np.sqrt(5.0)) # golden angle in radians\n for i in range(N):\n y = 1 - (i / float(N - 1)) * 2 # y goes from 1 to -1\n radius = np.sqrt(1 - y * y) # radius at y\n theta = phi * i # golden angle increment\n x = np.cos(theta) * radius\n z = np.sin(theta) * radius\n points.append((x, y, z))\n\n return np.array(points)\n\n\ndef cart2sph(x, y, z):\n \"\"\"\n Convert Cartesian coordinates (x, y, z) to spherical coordinates (phi, theta, r)\n \n Args:\n x, y, z: Cartesian coordinates\n \n Returns:\n phi: azimuthal angle in [-pi, pi]\n theta: polar angle in [-pi/2, pi/2] \n r: radius\n \"\"\"\n hxy = np.hypot(x, y)\n r = np.hypot(hxy, z)\n theta = np.arctan2(z, hxy)\n phi = np.arctan2(y, x)\n return phi, theta, r\n\n\ndef sph2cart(phi, theta, r):\n \"\"\"\n Convert spherical coordinates (phi, theta, r) to Cartesian coordinates (x, y, z)\n \n Args:\n phi: azimuthal angle in radians\n theta: polar angle in radians\n r: radius\n \n Returns:\n x, y, z: Cartesian coordinates\n \"\"\"\n rcos_theta = r * np.cos(theta)\n x = rcos_theta * np.cos(phi)\n y = rcos_theta * np.sin(phi)\n z = r * np.sin(theta)\n return x, y, z\n\n\ndef xyz2sph(xyzs, radian=True):\n \"\"\"\n Convert vectors (x, y, z) to spherical coordinates (theta, phi)\n\n Args:\n xyzs: numpy array of 3D Cartesian coordinates \n radian: If True, return angles in radians. If False, return in degrees (default True)\n\n Returns:\n pts: numpy array of shape (N, 2) containing (theta, phi) angles\n \"\"\"\n pts = np.zeros([len(xyzs), 2])\n for i, r_vec in enumerate(xyzs):\n r_mag = np.linalg.norm(r_vec)\n theta0 = np.arccos(r_vec[2] / r_mag)\n if abs((r_vec[2] / r_mag) - 1.0) < 10.0 ** (-8.0):\n theta0 = 0.0\n elif abs((r_vec[2] / r_mag) + 1.0) < 10.0 ** (-8.0):\n theta0 = np.pi\n\n if r_vec[0] < 0.0:\n phi0 = np.pi + np.arctan(r_vec[1] / r_vec[0])\n elif r_vec[0] > 0.0 and r_vec[1] < 0.0:\n phi0 = 2 * np.pi + np.arctan(r_vec[1] / r_vec[0])\n elif r_vec[0] > 0.0 and r_vec[1] >= 0.0:\n phi0 = np.arctan(r_vec[1] / r_vec[0])\n elif r_vec[0] == 0.0 and r_vec[1] > 0.0:\n phi0 = 0.5 * np.pi\n elif r_vec[0] == 0.0 and r_vec[1] < 0.0:\n phi0 = 1.5 * np.pi\n else:\n phi0 = 0.0\n pts[i, :] = [theta0, phi0]\n if not radian:\n pts = np.degree(pts)\n\n return pts\n\n\ndef expand_sph(pts, l_max, norm=4, csphase=-1):\n from pyshtools.expand import SHExpandLSQ\n\n \"\"\"\n Transform the grid points to spherical harmonics\n\n Args:\n pts: 3D array\n (thetas, phis, vals) with a length of N\n\n lmax: Integer\n The maximum degree of spherical harmonic.\n\n coeff_norm: integer\n The normalization of SHExpandLSQ().\n 1 (default) = Geodesy 4-pi normalized harmonics;\n 2 = Schmidt semi-normalized harmonics;\n 3 = unnormalized harmonics;\n 4 = orthonormal harmonics.\n\n csphase: Integer\n whether (-1) or not (1) apply the Condon-Shortley phase factor.\n\n Return:\n cilm: float, dimension (2, lmax+1, lmax+1)\n Coefficients of the spherican harmonic\n\n chi2: float\n The residual sum of squares misfit for an overdetermined inversion.\n \"\"\"\n thetas, phis, vals = pts[:, 0], pts[:, 1], pts[:, 2]\n phis = np.degrees(phis)\n # shift from (0, 180) to (-90, 90)\n thetas = np.degrees(thetas)\n thetas -= 90\n\n # if thetas is within [0, 180]\n # print('check thetas', thetas.min(), thetas.max())\n # if abs(thetas.min()) < 1e-3: thetas -= 90\n cilm, chi2 = SHExpandLSQ(vals, thetas, phis, l_max, norm=norm, csphase=csphase)\n\n return cilm, chi2\n\n\ndef get_alignment(pts, degrees=True):\n \"\"\"\n Here we define the equator is the plane with three most important neighbors.\n Get the required rotation angles to get that representation.\n\n Args:\n pts; important points (3D array)\n\n Returns:\n angles: [alpha, beta, gamma]\n \"\"\"\n # get the three most importants ids\n tps = pts[:3]\n\n xyz0 = np.array(\n [\n np.sin(tps[0, 0]) * np.cos(tps[0, 1]),\n np.sin(tps[0, 1]) * np.sin(tps[0, 0]),\n np.cos(tps[0, 0]),\n ]\n )\n xyz1 = np.array(\n [\n np.sin(tps[1, 0]) * np.cos(tps[1, 1]),\n np.sin(tps[1, 1]) * np.sin(tps[1, 0]),\n np.cos(tps[1, 0]),\n ]\n )\n xyz2 = np.array(\n [\n np.sin(tps[2, 0]) * np.cos(tps[2, 1]),\n np.sin(tps[2, 1]) * np.sin(tps[2, 0]),\n np.cos(tps[2, 0]),\n ]\n )\n line1, line2 = xyz1 - xyz0, xyz2 - xyz0\n ax1 = np.cross(line1, line2)\n ax1 /= np.linalg.norm(ax1)\n ax0 = np.array([0.0, 0.0, 1.0])\n #\n vec = np.cross(ax0, ax1)\n angle = np.arccos(np.dot(ax0, ax1))\n r = Rotation.from_rotvec(angle * vec)\n angles = r.as_euler(\"zyz\")\n if degrees:\n angles = np.degrees(angles)\n return angles\n\n\nclass spherical_image:\n import pyshtools as pysh\n\n \"\"\"\n A class to handle the crystal packing descriptor from spherical image\n\n Args:\n xtal: pyxtal structure\n model: 'molecule' or 'contact'\n max_d: maximum intermolecular distances\n lmax: maximum bandwidth for spherical harmonic expansion\n sigma: Gaussian width to project into the unit sphere\n N: number of grid points on the unit sphere\n \"\"\"\n\n def __init__(self, xtal, model=\"molecule\", max_d=10, factor=2.2, lmax=13, sigma=0.1, N=10000):\n for i in range(len(xtal.mol_sites)):\n try:\n numbers = xtal.mol_sites[i].molecule.mol.atomic_numbers\n if numbers.count(7) > 0 or numbers.count(8) > 0:\n xtal.mol_sites[i].molecule.set_labels()\n except:\n print(\"Warning! Needs the smiles information!\")\n self.xtal = xtal\n self.max_d = max_d\n self.factor = factor\n self.lmax = lmax\n self.sigma = sigma\n self.N = N\n\n xyzs = fibonacci_sphere(N)\n grids = np.zeros([N, 3])\n grids[:, :2] = xyz2sph(xyzs)\n\n if model == \"molecule\":\n self.pts = self.get_molecules()\n else:\n self.pts = self.get_contacts()\n self.coefs = []\n for pt in self.pts:\n grids[:, 2] = self.calculate_density(pt, xyzs)\n cilm, chi2 = expand_sph(grids, lmax)\n self.coefs.append(pysh.SHCoeffs.from_array(cilm))\n self.ds = np.ones(len(self.coefs))\n\n def calculate_density(self, pt, xyzs):\n \"\"\"\n calculate the projected density on the unit sphere\n \"\"\"\n vals = np.zeros(len(xyzs))\n for _pt in pt:\n t0, p0, h = _pt\n x0, y0, z0 = np.sin(t0) * np.cos(p0), np.sin(t0) * np.sin(p0), np.cos(t0)\n dst = np.linalg.norm(xyzs - np.array([x0, y0, z0]), axis=1)\n vals += h * np.exp(-(dst**2 / (2.0 * self.sigma**2)))\n return vals\n\n def get_molecules(self):\n \"\"\"\n compute the spherical images from neighboring molecules\n\n Returns:\n pts: [N, 3] array, (theta, phi, eng)\n \"\"\"\n pts = []\n for i, site in enumerate(self.xtal.mol_sites):\n _, neighs, comps, _, engs = self.xtal.get_neighboring_molecules(\n i, factor=self.factor, max_d=self.max_d, ignore_E=False\n )\n xyz, _ = site._get_coords_and_species(absolute=True, first=True)\n center = site.molecule.get_center(xyz)\n coords = np.zeros([len(neighs), 3])\n for _i, xyz in enumerate(neighs):\n # coords[_i, :] = site.molecule.get_center(xyz) - center\n coords[_i, :] = self.xtal.molecules[comps[_i]].get_center(xyz) - center\n pt = np.zeros([len(coords), 3])\n pt[:, :2] = xyz2sph(coords)\n pt[:, 2] = engs / np.sum(engs)\n pts.append(pt)\n return pts\n\n def get_contacts(self):\n \"\"\"\n Compute the spherical images from the neighboring distances\n\n Returns:\n pts: [N, 3] array, (theta, phi, eng)\n \"\"\"\n pts = []\n for i, _site in enumerate(self.xtal.mol_sites):\n engs, pairs, dists = self.xtal.get_neighboring_dists(i, factor=self.factor, max_d=self.max_d)\n pt = np.zeros([len(pairs), 3])\n pt[:, :2] = xyz2sph(pairs)\n pt[:, 2] = engs / np.sum(engs)\n pts.append(pt)\n return pts\n\n def plot_sph_images(self, lmax=None, figname=None, molecule=False):\n \"\"\"\n Plot the spherical images in both 3d and 2d\n\n Args:\n lmax: maximum truncation\n figname: name of figure file\n molecule: draw 2D molecule diagram or not\n \"\"\"\n import matplotlib.gridspec as gridspec\n import matplotlib.pyplot as plt\n\n if molecule:\n nrows = len(self.coefs) + 1\n shift = 1\n else:\n nrows = len(self.coefs)\n shift = 0\n\n fig = plt.figure(figsize=(9, 4 * nrows))\n gs = gridspec.GridSpec(nrows=nrows, ncols=2, wspace=0.15, width_ratios=[0.7, 1])\n if molecule:\n from rdkit import Chem\n from rdkit.Chem import Draw\n\n smi = \"\"\n for i, m in enumerate(self.xtal.molecules):\n smi += m.smile\n if i + 1 < len(self.xtal.molecules):\n smi += \".\"\n\n m = Chem.MolFromSmiles(smi)\n im = Draw.MolToImage(m)\n ax0 = fig.add_subplot(gs[0, :])\n plt.imshow(im)\n ax0.axis(\"off\")\n\n if lmax is None:\n lmax = self.lmax\n elif lmax > self.lmax:\n print(\"Warning: Cannot set lmax greater than the \", self.lmax)\n lmax = self.lmax\n\n for i in range(len(self.coefs)):\n ax1 = fig.add_subplot(gs[i + shift, 0])\n ax2 = fig.add_subplot(gs[i + shift, 1])\n coef = self.coefs[i]\n grid = coef.expand(lmax=lmax)\n grid.plot3d(0, 0, title=f\"{self.ds[i]:6.3f}\", show=False, ax=ax1)\n grid.plot(\n show=False,\n ax=ax2,\n tick_interval=[120, 90],\n tick_labelsize=14,\n axes_labelsize=16,\n )\n ax2.set_xlim([1, 359])\n\n if figname is None:\n plt.show()\n else:\n plt.savefig(figname)\n\n def plot_real_image(self, id=0):\n \"\"\"\n Plot the real molecular contacts in the crystal\n \"\"\"\n return self.xtal.show_mol_cluster(id, factor=self.factor, max_d=self.max_d, ignore_E=False, plot=False)\n\n def align(self, M=6):\n \"\"\"\n Align spherical image in a way that three most important contributions\n are parallel to the equatorial plane. Experimental stage now!\n\n Args:\n M: number of power in quasi random sampling\n \"\"\"\n self.coefs[0]\n angles = get_alignment(self.pts[0])\n self.coefs[0] = self.coefs[0].rotate(angles[0], angles[1], angles[2])\n\n for i in range(1, len(self.coefs)):\n coef1 = self.coefs[i]\n d, angles = correlation_go(self.coefs[0], coef1, M=M)\n self.coefs[i] = coef1.rotate(angles[0], angles[1], angles[2])\n self.ds[i] = d\n\n def rotate(self, alpha=0, beta=0, gamma=0):\n \"\"\"\n uniformly rotate the coefs\n\n Args:\n alpha: rotation in degrees\n beta: rotation in degress\n gamma: rotation in degress\n \"\"\"\n for i in range(len(self.coefs)):\n self.coefs[i] = self.coefs[i].rotate(alpha, beta, gamma)\n\n def get_similarity(self, sph2, M=6, cutoff=0.95):\n \"\"\"\n Compute the similarity matrix between two sphs\n\n Args:\n sph2: the 2nd sph class\n M: number of power in quasi random sampling\n cutoff: cutoff similarity to terminate search early\n \"\"\"\n S = np.zeros([len(self.coefs), len(sph2.coefs)])\n for i in range(len(self.coefs)):\n coef1 = self.coefs[i]\n for j in range(len(sph2.coefs)):\n coef2 = sph2.coefs[j]\n d, _ = correlation_go(coef1, coef2, M=M, d_cut=cutoff)\n S[i, j] = d\n return S\n\n\nclass orientation_order:\n \"\"\"\n Computes the Steinhardt orientation order parameters\n\n Args:\n xtal: pyxtal structure\n max_d: maximum intermolecular distances\n lmax: maximum bandwidth for spherical harmonic expansion\n \"\"\"\n\n def __init__(self, xtal, max_CN=14):\n self.xtal = xtal\n self.max_CN = max_CN\n self.dists = self.get_neighbors()\n\n def get_neighbors(self):\n \"\"\"\n get neighboring molecules\n\n Returns:\n pts: [N, 3] array, (theta, phi, eng)\n \"\"\"\n pts = []\n for i, site in enumerate(self.xtal.mol_sites):\n _, neighs, comps, _, engs = self.xtal.get_neighboring_molecules(i)\n xyz, _ = site._get_coords_and_species(absolute=True, first=True)\n center = site.molecule.get_center(xyz)\n coords = np.zeros([len(neighs), 3])\n # print(len(neighs))\n if len(neighs) > self.max_CN:\n neighs = neighs[: self.max_CN]\n for _i, xyz in enumerate(neighs):\n coords[_i, :] = self.xtal.molecules[comps[_i]].get_center(xyz) - center\n pts.append(coords)\n return pts\n\n def get_parameters(self, ls=None):\n \"\"\"\n Computes the orientation order parameters q_l for given l values.\n \n Args:\n ls: list of integers, the l values to compute q_l. Default is [4,6]\n \n Returns:\n qs: list of float, the computed q_l values\n \"\"\"\n if ls is None:\n ls = [4, 6]\n qs = []\n for dist in self.dists:\n for l in ls:\n (4 * np.pi) / (2 * l + 1)\n qlms = _qlm(dist, l)\n dot = float(np.sum(qlms * np.conjugate(qlms)))\n qs.append(np.sqrt((4 * np.pi) / (2 * l + 1) * dot))\n\n return qs\n\n\nif __name__ == \"__main__\":\n import importlib.resources\n\n from pyxtal import pyxtal\n\n with importlib.resources.as_file(importlib.resources.files(\"pyxtal\") / \"database\" / \"cifs\") as path:\n cif_path = path\n c1 = pyxtal(molecular=True)\n for name in [\"benzene\", \"resorcinol\", \"aspirin\", \"naphthalene\"]:\n c1.from_seed(seed=str(cif_path / f\"{name}.cif\"), molecules=[name])\n for model in [\"contact\", \"molecule\"]:\n print(name, model)\n sph = spherical_image(c1, model=model, lmax=18)\n sph.align()\n sph.plot_sph_images(figname=name + \"-\" + model + \".png\")\n\n # for name in ['BENZEN', 'ACSALA', 'RESORA']:\n # c1.from_CSD(name)\n # for model in ['contact', 'molecule']:\n # sph = spherical_image(c1, model=model, lmax=18)\n # sph.align()\n # sph.plot_sph_images(figname=name+'-'+model+'.png', molecule=True)\n" }, { "path": "pyxtal/elasticity.py", "content": "# ======================================================================\n# matscipy - Python materials science tools\n# https://github.com/libAtoms/matscipy\n#\n# Copyright (2014) James Kermode, King's College London\n# Lars Pastewka, Karlsruhe Institute of Technology\n#\n# This program is free software: you can redistribute it and/or modify\n# it under the terms of the GNU General Public License as published by\n# the Free Software Foundation, either version 2 of the License, or\n# (at your option) any later version.\n#\n# This program is distributed in the hope that it will be useful,\n# but WITHOUT ANY WARRANTY; without even the implied warranty of\n# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the\n# GNU General Public License for more details.\n#\n# You should have received a copy of the GNU General Public License\n# along with this program. If not, see .\n# ======================================================================\n\n\nimport itertools\nimport warnings\n\nimport numpy as np\nfrom numpy.linalg import inv, norm\n\ntry:\n import scipy.stats as scipy_stats\nexcept:\n scipy_stats = None\n\nfrom time import time\n\nimport ase.units as units\nfrom ase.atoms import Atoms\nfrom ase.io import read\n\n###\n\n# The indices of the full stiffness matrix of (orthorhombic) interest\nVoigt_notation = [(0, 0), (1, 1), (2, 2), (1, 2), (0, 2), (0, 1)]\n\n\ndef full_3x3_to_Voigt_6_index(i, j):\n if i == j:\n return i\n return 6 - i - j\n\n\n###\n\n\ndef Voigt_6_to_full_3x3_strain(strain_vector):\n \"\"\"\n Form a 3x3 strain matrix from a 6 component vector in Voigt notation\n \"\"\"\n e1, e2, e3, e4, e5, e6 = np.transpose(strain_vector)\n return np.transpose(\n [\n [1.0 + e1, 0.5 * e6, 0.5 * e5],\n [0.5 * e6, 1.0 + e2, 0.5 * e4],\n [0.5 * e5, 0.5 * e4, 1.0 + e3],\n ]\n )\n\n\ndef Voigt_6_to_full_3x3_stress(stress_vector):\n \"\"\"\n Form a 3x3 stress matrix from a 6 component vector in Voigt notation\n \"\"\"\n s1, s2, s3, s4, s5, s6 = np.transpose(stress_vector)\n return np.transpose([[s1, s6, s5], [s6, s2, s4], [s5, s4, s3]])\n\n\ndef full_3x3_to_Voigt_6_strain(strain_matrix):\n \"\"\"\n Form a 6 component strain vector in Voigt notation from a 3x3 matrix\n \"\"\"\n strain_matrix = np.asarray(strain_matrix)\n return np.transpose(\n [\n strain_matrix[..., 0, 0] - 1.0,\n strain_matrix[..., 1, 1] - 1.0,\n strain_matrix[..., 2, 2] - 1.0,\n strain_matrix[..., 1, 2] + strain_matrix[..., 2, 1],\n strain_matrix[..., 0, 2] + strain_matrix[..., 2, 0],\n strain_matrix[..., 0, 1] + strain_matrix[..., 1, 0],\n ]\n )\n\n\ndef full_3x3_to_Voigt_6_stress(stress_matrix):\n \"\"\"\n Form a 6 component stress vector in Voigt notation from a 3x3 matrix\n \"\"\"\n stress_matrix = np.asarray(stress_matrix)\n return np.transpose(\n [\n stress_matrix[..., 0, 0],\n stress_matrix[..., 1, 1],\n stress_matrix[..., 2, 2],\n (stress_matrix[..., 1, 2] + stress_matrix[..., 1, 2]) / 2,\n (stress_matrix[..., 0, 2] + stress_matrix[..., 0, 2]) / 2,\n (stress_matrix[..., 0, 1] + stress_matrix[..., 0, 1]) / 2,\n ]\n )\n\n\ndef Voigt_6x6_to_full_3x3x3x3(C):\n \"\"\"\n Convert from the Voigt representation of the stiffness matrix to the full\n 3x3x3x3 representation.\n\n Parameters\n ----------\n C : array_like\n 6x6 stiffness matrix (Voigt notation).\n\n Returns\n -------\n C : array_like\n 3x3x3x3 stiffness matrix.\n \"\"\"\n\n C = np.asarray(C)\n C_out = np.zeros((3, 3, 3, 3), dtype=float)\n for i, j, k, l in itertools.product(range(3), range(3), range(3), range(3)):\n Voigt_i = full_3x3_to_Voigt_6_index(i, j)\n Voigt_j = full_3x3_to_Voigt_6_index(k, l)\n C_out[i, j, k, l] = C[Voigt_i, Voigt_j]\n return C_out\n\n\ndef full_3x3x3x3_to_Voigt_6x6(C):\n \"\"\"\n Convert from the full 3x3x3x3 representation of the stiffness matrix\n to the representation in Voigt notation. Checks symmetry in that process.\n \"\"\"\n\n tol = 1e-3\n\n C = np.asarray(C)\n Voigt = np.zeros((6, 6))\n for i in range(6):\n for j in range(6):\n k, l = Voigt_notation[i]\n m, n = Voigt_notation[j]\n Voigt[i, j] = C[k, l, m, n]\n\n # print '---'\n # print k,l,m,n, C[k,l,m,n]\n # print m,n,k,l, C[m,n,k,l]\n # print l,k,m,n, C[l,k,m,n]\n # print k,l,n,m, C[k,l,n,m]\n # print m,n,l,k, C[m,n,l,k]\n # print n,m,k,l, C[n,m,k,l]\n # print l,k,n,m, C[l,k,n,m]\n # print n,m,l,k, C[n,m,l,k]\n # print '---'\n\n # Check symmetries\n assert (\n abs(Voigt[i, j] - C[m, n, k, l]) < tol\n ), f\"Voigt[{i},{j}] = {Voigt[i, j]}, C[{m},{n},{k},{l}] = {C[m, n, k, l]}\"\n assert (\n abs(Voigt[i, j] - C[l, k, m, n]) < tol\n ), f\"Voigt[{i},{j}] = {Voigt[i, j]}, C[{k},{l},{m},{n}] = {C[l, k, m, n]}\"\n assert (\n abs(Voigt[i, j] - C[k, l, n, m]) < tol\n ), f\"Voigt[{i},{j}] = {Voigt[i, j]}, C[{k},{l},{n},{m}] = {C[k, l, n, m]}\"\n assert (\n abs(Voigt[i, j] - C[m, n, l, k]) < tol\n ), f\"Voigt[{i},{j}] = {Voigt[i, j]}, C[{m},{n},{l},{k}] = {C[m, n, l, k]}\"\n assert (\n abs(Voigt[i, j] - C[n, m, k, l]) < tol\n ), f\"Voigt[{i},{j}] = {Voigt[i, j]}, C[{n},{m},{k},{l}] = {C[n, m, k, l]}\"\n assert (\n abs(Voigt[i, j] - C[l, k, n, m]) < tol\n ), f\"Voigt[{i},{j}] = {Voigt[i, j]}, C[{l},{k},{n},{m}] = {C[l, k, n, m]}\"\n assert (\n abs(Voigt[i, j] - C[n, m, l, k]) < tol\n ), f\"Voigt[{i},{j}] = {Voigt[i, j]}, C[{n},{m},{l},{k}] = {C[n, m, l, k]}\"\n\n return Voigt\n\n\ndef Voigt_6x6_to_cubic(C):\n \"\"\"\n Convert the Voigt 6x6 representation into the cubic elastic constants\n C11, C12 and C44.\n \"\"\"\n\n tol = 1e-6\n\n C_check = np.zeros_like(C)\n C_check[np.diag_indices_from(C_check)] = C[np.diag_indices_from(C)]\n C_check[0:3, 0:3] = C[0:3, 0:3]\n if np.any(np.abs(C - C_check) > tol):\n raise ValueError('\"C\" does not have cubic symmetry.')\n\n C11s = np.array([C[0, 0], C[1, 1], C[2, 2]])\n C12s = np.array([C[1, 2], C[0, 2], C[0, 1]])\n C44s = np.array([C[3, 3], C[4, 4], C[5, 5]])\n\n C11 = np.mean(C11s)\n C12 = np.mean(C12s)\n C44 = np.mean(C44s)\n\n if np.any(np.abs(C11 - C11s) > tol) or np.any(np.abs(C12 - C12s) > tol) or np.any(np.abs(C44 - C44s) > tol):\n raise ValueError('\"C\" does not have cubic symmetry.')\n\n return np.array([C11, C12, C44])\n\n\ndef cubic_to_Voigt_6x6(C11, C12, C44):\n return np.array(\n [\n [C11, C12, C12, 0, 0, 0],\n [C12, C11, C12, 0, 0, 0],\n [C12, C12, C11, 0, 0, 0],\n [0, 0, 0, C44, 0, 0],\n [0, 0, 0, 0, C44, 0],\n [0, 0, 0, 0, 0, C44],\n ]\n )\n\n\ndef _invariants(\n s,\n syy=None,\n szz=None,\n syz=None,\n sxz=None,\n sxy=None,\n full_3x3_to_Voigt_6=full_3x3_to_Voigt_6_stress,\n):\n \"\"\"\n Receives a list of stress tensors and returns the three tensor invariants.\n \"\"\"\n if syy is None:\n s = np.asarray(s)\n if s.shape == (6,):\n s = s.reshape(1, -1)\n elif s.shape == (3, 3) or s.shape[-1] == 3 and s.shape[-2] == 3:\n s = full_3x3_to_Voigt_6(s)\n else:\n s = np.transpose(\n [\n np.transpose(s),\n np.transpose(syy),\n np.transpose(szz),\n np.transpose(syz),\n np.transpose(sxz),\n np.transpose(sxy),\n ]\n )\n I1 = s[..., 0] + s[..., 1] + s[..., 2]\n I2 = (\n s[..., 0] * s[..., 1]\n + s[..., 1] * s[..., 2]\n + s[..., 2] * s[..., 0]\n - s[..., 3] ** 2\n - s[..., 4] ** 2\n - s[..., 5] ** 2\n )\n I3 = (\n s[..., 0] * s[..., 1] * s[..., 2]\n + 2 * s[..., 3] * s[..., 4] * s[..., 5]\n - s[..., 3] ** 2 * s[..., 2]\n - s[..., 4] ** 2 * s[..., 0]\n - s[..., 5] ** 2 * s[..., 1]\n )\n\n return I1, I2, I3\n\n\ndef invariants(\n s,\n syy=None,\n szz=None,\n syz=None,\n sxz=None,\n sxy=None,\n full_3x3_to_Voigt_6=full_3x3_to_Voigt_6_stress,\n):\n I1, I2, I3 = _invariants(\n s,\n syy=syy,\n szz=szz,\n syz=syz,\n sxz=sxz,\n sxy=sxy,\n full_3x3_to_Voigt_6=full_3x3_to_Voigt_6,\n )\n\n J2 = I1**2 / 3 - I2\n J3 = 2 * I1**3 / 27 - I1 * I2 / 3 + I3\n\n # Return hydrostatic pressure, octahedral shear stress and J3\n return -I1 / 3, np.sqrt(2 * J2 / 3), J3\n\n\n###\n\n\ndef rotate_cubic_elastic_constants(C11, C12, C44, A, tol=1e-6):\n \"\"\"\n Return rotated elastic moduli for a cubic crystal given the elastic\n constant in standard C11, C12, C44 notation.\n\n Parameters\n ----------\n C11, C12, C44 : float\n Cubic elastic moduli.\n A : array_like\n 3x3 rotation matrix.\n\n Returns\n -------\n C : array\n 6x6 matrix of rotated elastic constants (Voigt notation).\n \"\"\"\n\n A = np.asarray(A)\n\n # Is this a rotation matrix?\n if any(np.abs(np.dot(np.array(A), np.transpose(np.array(A))) - np.eye(3, dtype=float)) > tol):\n raise RuntimeError(\"Matrix *A* does not describe a rotation.\")\n\n # Invariant elastic constants\n la = C12\n mu = C44\n al = C11 - la - 2 * mu\n\n # Construct rotated C in Voigt notation\n C = []\n for i, j in Voigt_notation:\n for k, l in Voigt_notation:\n h = 0.0\n if i == j and k == l:\n h += la\n if i == k and j == l:\n h += mu\n if i == l and j == k:\n h += mu\n h += al * np.sum(A[i, :] * A[j, :] * A[k, :] * A[l, :])\n C += [h]\n\n C = np.array(C)\n C.shape = (6, 6)\n return C\n\n\n###\n\n\ndef rotate_elastic_constants(C, A, tol=1e-6):\n \"\"\"\n Return rotated elastic moduli for a general crystal given the elastic\n constant in Voigt notation.\n\n Parameters\n ----------\n C : array_like\n 6x6 matrix of elastic constants (Voigt notation).\n A : array_like\n 3x3 rotation matrix.\n\n Returns\n -------\n C : array\n 6x6 matrix of rotated elastic constants (Voigt notation).\n \"\"\"\n\n A = np.asarray(A)\n\n # Is this a rotation matrix?\n if any(np.abs(np.dot(np.array(A), np.transpose(np.array(A))) - np.eye(3, dtype=float)) > tol):\n raise RuntimeError(\"Matrix *A* does not describe a rotation.\")\n\n # Rotate\n return full_3x3x3x3_to_Voigt_6x6(np.einsum(\"ia,jb,kc,ld,abcd->ijkl\", A, A, A, A, Voigt_6x6_to_full_3x3x3x3(C)))\n\n\n###\n\n\nclass CubicElasticModuli:\n tol = 1e-6\n\n def __init__(self, C11, C12, C44):\n \"\"\"\n Initialize a cubic system with elastic constants C11, C12, C44\n \"\"\"\n\n warnings.warn(\"CubicElasticModuli is deprecated. Use rotate_elastic_constants function instead.\")\n\n # la, mu, al are the three invariant elastic constants\n self.la = C12\n self.mu = C44\n self.al = C11 - self.la - 2 * self.mu\n\n A = np.eye(3, dtype=float)\n\n # Compute initial stiffness matrix\n self.rotate(A)\n\n def rotate(self, A):\n \"\"\"\n Compute the rotated stiffness matrix\n \"\"\"\n\n A = np.asarray(A)\n\n # Is this a rotation matrix?\n if any(np.abs(np.dot(np.array(A), np.transpose(np.array(A))) - np.eye(3, dtype=float)) > self.tol):\n raise RuntimeError(\"Matrix *A* does not describe a rotation.\")\n\n C = []\n for i, j in Voigt_notation:\n for k, l in Voigt_notation:\n h = 0.0\n if i == j and k == l:\n h += self.la\n if i == k and j == l:\n h += self.mu\n if i == l and j == k:\n h += self.mu\n h += self.al * np.sum(A[i, :] * A[j, :] * A[k, :] * A[l, :])\n C += [h]\n\n self.C = np.asarray(C)\n self.C.shape = (6, 6)\n return self.C\n\n def _rotate_explicit(self, A):\n \"\"\"\n Compute the rotated stiffness matrix by applying the rotation to the\n full stiffness matrix. This function is for debugging purposes only.\n \"\"\"\n\n A = np.asarray(A)\n\n # Is this a rotation matrix?\n if any(np.abs(np.dot(np.array(A), np.transpose(np.array(A))) - np.eye(3, dtype=float)) > self.tol):\n raise RuntimeError(\"Matrix *A* does not describe a rotation.\")\n\n C = np.zeros((3, 3, 3, 3), dtype=float)\n\n # Construct unrotated stiffness matrix\n for i in range(3):\n for j in range(3):\n for k in range(3):\n for m in range(3):\n h = 0.0\n if i == j and k == m:\n h += self.la\n if i == k and j == m:\n h += self.mu\n if i == m and j == k:\n h += self.mu\n if i == j and j == k and k == m:\n h += self.al\n C[i, j, k, m] = h\n\n # Rotate\n C = np.einsum(\"ia,jb,kc,ld,abcd->ijkl\", A, A, A, A, C)\n\n self.C = full_3x3x3x3_to_Voigt_6x6(C)\n return self.C\n\n def stiffness(self):\n \"\"\"\n Return the elastic constants\n \"\"\"\n\n return self.C\n\n def compliance(self):\n \"\"\"\n Return the compliance coefficients\n \"\"\"\n\n return inv(self.C)\n\n\n###\n\n\ndef measure_triclinic_elastic_constants(a, delta=0.001, optimizer=None, logfile=None, **kwargs):\n \"\"\"\n Brute-force measurement of elastic constants for a triclinic (general)\n unit cell.\n\n Parameters\n ----------\n a : ase.Atoms\n Atomic configuration.\n optimizer : ase.optimizer.*\n Optimizer to use for atomic position. Does not optimize atomic\n position if set to None.\n delta : float\n Strain increment for analytical derivatives of stresses.\n\n Returns\n -------\n C : array_like\n 6x6 matrix of the elastic constants in Voigt notation.\n \"\"\"\n\n if optimizer is not None:\n optimizer(a, logfile=logfile).run(**kwargs)\n\n r0 = a.positions.copy()\n\n cell = a.cell.copy()\n volume = a.get_volume()\n\n C = np.zeros((3, 3, 3, 3), dtype=float)\n for i in range(3):\n for j in range(3):\n a.set_cell(cell, scale_atoms=True)\n a.set_positions(r0)\n\n D = np.eye(3)\n D[i, j] += 0.5 * delta\n D[j, i] += 0.5 * delta\n a.set_cell(np.dot(D, cell.T).T, scale_atoms=True)\n if optimizer is not None:\n optimizer(a, logfile=logfile).run(**kwargs)\n sp = Voigt_6_to_full_3x3_stress(a.get_stress() * a.get_volume())\n\n D = np.eye(3)\n D[i, j] -= 0.5 * delta\n D[j, i] -= 0.5 * delta\n a.set_cell(np.dot(D, cell.T).T, scale_atoms=True)\n if optimizer is not None:\n optimizer(a, logfile=logfile).run(**kwargs)\n sm = Voigt_6_to_full_3x3_stress(a.get_stress() * a.get_volume())\n\n C[:, :, i, j] = (sp - sm) / (2 * delta * volume)\n\n a.set_cell(cell, scale_atoms=True)\n a.set_positions(r0)\n\n return full_3x3x3x3_to_Voigt_6x6(C)\n\n\nCij_symmetry = {\n \"cubic\": np.array(\n [\n [1, 7, 7, 0, 0, 0],\n [7, 1, 7, 0, 0, 0],\n [7, 7, 1, 0, 0, 0],\n [0, 0, 0, 4, 0, 0],\n [0, 0, 0, 0, 4, 0],\n [0, 0, 0, 0, 0, 4],\n ]\n ),\n \"trigonal_high\": np.array(\n [\n [1, 7, 8, 9, 10, 0],\n [7, 1, 8, 0, -9, 0],\n [8, 8, 3, 0, 0, 0],\n [9, -9, 0, 4, 0, 0],\n [10, 0, 0, 0, 4, 0],\n [0, 0, 0, 0, 0, 6],\n ]\n ),\n \"trigonal_low\": np.array(\n [\n [1, 7, 8, 9, 10, 0],\n [7, 1, 8, -9, -10, 0],\n [8, 8, 3, 0, 0, 0],\n [9, -9, 0, 4, 0, -10],\n [10, -10, 0, 0, 4, 9],\n [0, 0, 0, -10, 9, 6],\n ]\n ),\n \"tetragonal_high\": np.array(\n [\n [1, 7, 8, 0, 0, 0],\n [7, 1, 8, 0, 0, 0],\n [8, 8, 3, 0, 0, 0],\n [0, 0, 0, 4, 0, 0],\n [0, 0, 0, 0, 4, 0],\n [0, 0, 0, 0, 0, 6],\n ]\n ),\n \"tetragonal_low\": np.array(\n [\n [1, 7, 8, 0, 0, 11],\n [7, 1, 8, 0, 0, -11],\n [8, 8, 3, 0, 0, 0],\n [0, 0, 0, 4, 0, 0],\n [0, 0, 0, 0, 4, 0],\n [11, -11, 0, 0, 0, 6],\n ]\n ),\n \"orthorhombic\": np.array(\n [\n [1, 7, 8, 0, 0, 0],\n [7, 2, 12, 0, 0, 0],\n [8, 12, 3, 0, 0, 0],\n [0, 0, 0, 4, 0, 0],\n [0, 0, 0, 0, 5, 0],\n [0, 0, 0, 0, 0, 6],\n ]\n ),\n \"monoclinic\": np.array(\n [\n [1, 7, 8, 0, 10, 0],\n [7, 2, 12, 0, 14, 0],\n [8, 12, 3, 0, 17, 0],\n [0, 0, 0, 4, 0, 20],\n [10, 14, 17, 0, 5, 0],\n [0, 0, 0, 20, 0, 6],\n ]\n ),\n \"triclinic\": np.array(\n [\n [1, 7, 8, 9, 10, 11],\n [7, 2, 12, 13, 14, 15],\n [8, 12, 3, 16, 17, 18],\n [9, 13, 16, 4, 19, 20],\n [10, 14, 17, 19, 5, 21],\n [11, 15, 18, 20, 21, 6],\n ]\n ),\n}\n\n\ndef _dec(pattern):\n # Decrease C_ij indices patterns by one.\n # Used to make strain_patterns definitions below more readable.\n return [(i - 1, j - 1) for (i, j) in pattern]\n\n\nstrain_patterns = {\n \"cubic\": [\n # strain pattern e1+e4, yields C11, C21, C31 and C44, then C12 is average of C21 and C31\n [np.array([1, 0, 0, 1, 0, 0]), _dec([(1, 1), (2, 1), (3, 1), (4, 4)])]\n ],\n \"trigonal_high\": [\n # strain pattern e3 yield C13, C23 and C33\n [np.array([0, 0, 1, 0, 0, 0]), _dec([(1, 3), (2, 3), (3, 3)])],\n # strain pattern e1+e4 yields C11 C21 C31 and C44\n [np.array([1, 0, 0, 1, 0, 0]), _dec([(1, 1), (2, 1), (3, 1), (4, 4)])],\n # strain pattern e1 yields C11 C21 C31 C41 C51\n [np.array([1, 0, 0, 0, 0, 0]), _dec([(1, 1), (2, 1), (3, 1), (4, 1), (5, 1)])],\n # strain pattern e3+e4\n [np.array([0, 0, 1, 1, 0, 0]), _dec([(3, 3), (4, 4)])],\n ],\n \"trigonal_low\": [\n # strain pattern e1, yields C11, C21, C31, C41, C51\n [np.array([1, 0, 0, 0, 0, 0]), _dec([(1, 1), (2, 1), (3, 1), (4, 1), (5, 1)])],\n # strain pattern e3 + e4, yields C33, C44\n [np.array([0, 0, 1, 1, 0, 0]), _dec([(3, 3), (4, 4)])],\n [np.array([0, 0, 0, 0, 0, 1]), _dec([(6, 6)])],\n ],\n \"tetragonal\": [\n # strain pattern e1+e4\n [np.array([1, 0, 0, 1, 0, 0]), _dec([(1, 1), (2, 1), (3, 1), (6, 1), (4, 4)])],\n # strain pattern e3+e6\n [np.array([0, 0, 1, 0, 0, 1]), _dec([(3, 3), (6, 6)])],\n ],\n \"orthorhombic\": [\n # strain pattern e1+e4\n [np.array([1, 0, 0, 1, 0, 0]), _dec([(1, 1), (2, 1), (3, 1), (4, 4)])],\n # strain pattern e2+e5\n [np.array([0, 1, 0, 0, 1, 0]), _dec([(1, 2), (2, 2), (3, 2), (5, 5)])],\n # strain pattern e3+e6\n [np.array([0, 0, 1, 0, 0, 1]), _dec([(1, 3), (2, 3), (3, 3), (6, 6)])],\n ],\n \"monoclinic\": [\n # strain pattern e1+e4\n [\n np.array([1, 0, 0, 1, 0, 0]),\n _dec([(1, 1), (2, 1), (3, 1), (4, 4), (5, 1), (6, 4)]),\n ],\n # strain pattern e3+e6\n [\n np.array([0, 0, 1, 0, 0, 1]),\n _dec([(1, 3), (2, 3), (3, 3), (5, 3), (4, 6), (6, 6)]),\n ],\n # strain pattern e2\n [np.array([0, 1, 0, 0, 0, 0]), _dec([(1, 2), (2, 2), (3, 2), (5, 2)])],\n # strain pattern e5\n [np.array([0, 0, 0, 0, 1, 0]), _dec([(1, 5), (2, 5), (3, 5), (5, 5)])],\n ],\n \"triclinic\": [\n [\n np.array([1, 0, 0, 0, 0, 0]),\n _dec([(1, 1), (2, 1), (3, 1), (4, 1), (5, 1), (6, 1)]),\n ],\n [\n np.array([0, 1, 0, 0, 0, 0]),\n _dec([(1, 2), (2, 2), (3, 2), (4, 2), (5, 2), (6, 2)]),\n ],\n [\n np.array([0, 0, 1, 0, 0, 0]),\n _dec([(1, 3), (2, 3), (3, 3), (4, 3), (5, 3), (6, 3)]),\n ],\n [\n np.array([0, 0, 0, 1, 0, 0]),\n _dec([(1, 4), (2, 4), (3, 4), (4, 4), (5, 4), (6, 4)]),\n ],\n [\n np.array([0, 0, 0, 0, 1, 0]),\n _dec([(1, 5), (2, 5), (3, 5), (4, 5), (5, 5), (6, 5)]),\n ],\n [\n np.array([0, 0, 0, 0, 0, 1]),\n _dec([(1, 6), (2, 6), (3, 6), (4, 6), (5, 6), (6, 6)]),\n ],\n ],\n}\n\nCij_symmetry[\"hexagonal\"] = Cij_symmetry[\"trigonal_high\"]\nCij_symmetry[None] = Cij_symmetry[\"triclinic\"]\n\nstrain_patterns[\"hexagonal\"] = strain_patterns[\"trigonal_high\"]\nstrain_patterns[\"tetragonal_high\"] = strain_patterns[\"tetragonal_low\"] = strain_patterns[\"tetragonal\"]\nstrain_patterns[None] = strain_patterns[\"triclinic\"]\n\n\ndef generate_strained_configs(at0, symmetry=\"triclinic\", N_steps=5, delta=1e-2):\n \"\"\"\n Generate a sequence of strained configurations\n\n Parameters\n ----------\n a : ase.Atoms\n Bulk crystal configuration - both unit cell and atomic positions\n should be relaxed before calling this routine.\n symmetry : string\n Symmetry to use to determine which strain patterns are necessary.\n Default is 'triclininc', i.e. no symmetry.\n N_steps : int\n Number of atomic configurations to generate for each strain pattern.\n Default is 5. Absolute strain values range from -delta*N_steps/2\n to +delta*N_steps/2.\n delta : float\n Strain increment for analytical derivatives of stresses. Default 1e-2\n\n Returns\n -------\n Generator which yields a sequence of ase.Atoms instances corresponding\n to the minima set of strained conifugurations required to evaluate the\n full 6x6 C_ij matrix under the assumed symmetry.\n \"\"\"\n\n if symmetry not in strain_patterns:\n raise ValueError(f\"Unknown symmetry {symmetry}. Valid options are {strain_patterns.keys()}\")\n\n for _pindex, (pattern, _fit_pairs) in enumerate(strain_patterns[symmetry]):\n for step in range(N_steps):\n strain = np.where(pattern == 1, delta * (step + 1 - (N_steps + 1) / 2.0), 0.0)\n at = at0.copy()\n if at0.get_calculator() is not None:\n at.set_calculator(at0.get_calculator())\n T = Voigt_6_to_full_3x3_strain(strain)\n at.set_cell(np.dot(T, at.cell.T).T, scale_atoms=False)\n at.positions[:] = np.dot(T, at.positions.T).T\n at.info[\"strain\"] = T\n yield at\n\n\n# Elastic constant calculation.\n\n# Code adapted from elastics.py script, available from\n# http://github.com/djw/elastic-constants\n#\n# Copyright (c) 2008, Dan Wilson\n# All rights reserved.\n#\n# Redistribution and use in source and binary forms, with or without\n# modification, are permitted provided that the following conditions are met:\n# * Redistributions of source code must retain the above copyright\n# notice, this list of conditions and the following disclaimer.\n# * Redistributions in binary form must reproduce the above copyright\n# notice, this list of conditions and the following disclaimer in the\n# documentation and/or other materials provided with the distribution.\n# * Neither the name of the copyright holder nor the\n# names of its contributors may be used to endorse or promote products\n# derived from this software without specific prior written permission.\n#\n# THIS SOFTWARE IS PROVIDED BY DAN WILSON ''AS IS'' AND ANY\n# EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED\n# WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE\n# DISCLAIMED. IN NO EVENT SHALL DAN WILSON BE LIABLE FOR ANY\n# DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES\n# (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;\n# LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND\n# ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT\n# (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS\n# SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.\n\n\ndef fit_elastic_constants(\n a,\n symmetry=\"triclinic\",\n N_steps=5,\n delta=1e-2,\n optimizer=None,\n verbose=True,\n GPa=True,\n tag=\"test\",\n graphics=False,\n logfile=None,\n **kwargs,\n):\n \"\"\"\n Compute elastic constants by linear regression of stress vs. strain\n\n Parameters\n ----------\n a : ase.Atoms or list of ase.Atoms\n Either a single atomic configuration or a list of strained\n configurations. If a single configuration is given, it is\n passed :func:`generate_strained_configs` along with `symmetry`, `N_steps`,\n and `delta` to generate the set of strained configurations.\n symmetry : string\n Symmetry to use to determine which strain patterns are necessary.\n Default is 'triclininc', i.e. no symmetry.\n N_steps : int\n Number of atomic configurations to generate for each strain pattern.\n Default is 5. Absolute strain values range from -delta*N_steps/2\n to +delta*N_steps/2.\n delta : float\n Strain increment for analytical derivatives of stresses.\n Default is 1e-2.\n optimizer : ase.optimizer.*\n Optimizer to use for atomic positions (internal degrees of freedom)\n for each applied strain. Initial config `a` is not optimised, and should\n already have relaxed cell and atomic positions. Does not optimize atomic\n positions if set to None.\n verbose : bool\n If True, print additional infomation about the quality of fit\n and summarise results of C_ij and estimated errors. Default True.\n GPa : bool\n If True, convert to GPa\n graphics : bool\n If True, use :mod:`matplotlib.pyplot` to plot the stress vs. strain\n curve for each C_ij component fitted. Default True.\n logfile : bool\n Log file to write optimizer output to. Default None (i.e. suppress\n output).\n **kwargs : dict\n Additional arguments to pass to `optimizer.run()` method e.g. `fmax`.\n\n Returns\n -------\n C : array_like\n 6x6 matrix of the elastic constants in Voigt notation.\n C_err : array_like\n If scipy.stats module is available then error estimates for each C_ij\n component are obtained from the accuracy of the linear regression.\n Otherwise an array of np.zeros((6,6)) is returned.\n\n Notes\n -----\n\n Code originally adapted from elastics.py script, available from\n http://github.com/djw/elastic-constants\n \"\"\"\n\n if isinstance(a, Atoms):\n if a.constraints:\n raise ValueError(\"Atoms passed to fit_elastic_constants() has constraints attached\")\n # we've been passed a single Atoms object: use it to generate\n # set of strained configurations according to symmetry\n strained_configs = generate_strained_configs(a, symmetry, N_steps, delta)\n else:\n # assume we've been passed a list of strained configs\n strained_configs = a\n\n if graphics:\n import matplotlib.pyplot as plt\n\n def do_fit(index1, index2, stress, strain, patt):\n if verbose:\n print(\"Fitting C_%d%d\" % (index1 + 1, index2 + 1))\n print(f\"Strain {strain[:, index2]!r}\")\n print(\"Stress %r GPa\" % (stress[:, index1] / units.GPa))\n\n if scipy_stats is not None:\n cijFitted, intercept, r, tt, stderr = scipy_stats.linregress(strain[:, index2], stress[:, index1])\n else:\n cijFitted, intercept = np.polyfit(strain[:, index2], stress[:, index1], 1)\n r, _tt, stderr = 0.0, None, 0.0\n\n if verbose:\n # print info about the fit\n print(\"Cij (gradient) / GPa : \", cijFitted / units.GPa)\n if scipy_stats is not None:\n print(\"Error in Cij / GPa : \", stderr / units.GPa)\n if abs(r) > 0.9:\n print(\"Correlation coefficient : \", r)\n else:\n print(\"Correlation coefficient : \", r, \" <----- WARNING\")\n else:\n print(\"scipy.stats not available, no error estimation performed\")\n\n if graphics:\n # position this plot in a 6x6 grid\n sp = plt.subplot(6, 6, 6 * index1 + (index2 + 1))\n sp.set_axis_on()\n\n # change the labels on the axes\n xlabels = sp.get_xticklabels()\n plt.setp(xlabels, \"rotation\", 90, fontsize=7)\n ylabels = sp.get_yticklabels()\n plt.setp(ylabels, fontsize=7)\n\n # colour the plot depending on the strain pattern\n colourDict = {\n 0: \"#BAD0EF\",\n 1: \"#FFCECE\",\n 2: \"#BDF4CB\",\n 3: \"#EEF093\",\n 4: \"#FFA4FF\",\n 5: \"#75ECFD\",\n }\n sp.set_axis_bgcolor(colourDict[patt])\n\n # plot the data\n plt.plot(\n [strain[0, index2], strain[-1, index2]],\n [\n (cijFitted * strain[0, index2] + intercept) / units.GPa,\n (cijFitted * strain[-1, index2] + intercept) / units.GPa,\n ],\n )\n plt.plot(strain[:, index2], stress[:, index1] / units.GPa, \"ro\")\n plt.xticks(strain[:, index2])\n\n return cijFitted, stderr\n\n if symmetry not in strain_patterns:\n raise ValueError(f\"Unknown symmetry {symmetry}. Valid options are {strain_patterns.keys()}\")\n\n # There are 21 independent elastic constants\n Cijs = {}\n Cij_err = {}\n\n # Construct mapping from (i,j) to index into Cijs in range 1..21\n # (upper triangle only to start with)\n Cij_map = {}\n Cij_map_sym = {}\n for i in range(6):\n for j in range(i, 6):\n Cij_map[(i, j)] = Cij_symmetry[None][i, j]\n Cij_map_sym[(i, j)] = Cij_symmetry[symmetry][i, j]\n\n # Reverse mapping, index 1..21 -> tuple (i,j) with i, j in range 0..5\n Cij_rev_map = dict(zip(Cij_map.values(), Cij_map.keys()))\n\n # Add the lower triangle to Cij_map, e.g. C21 = C12\n for i1, i2 in Cij_map.copy():\n Cij_map[(i2, i1)] = Cij_map[(i1, i2)]\n Cij_map_sym[(i2, i1)] = Cij_map_sym[(i1, i2)]\n\n N_pattern = len(strain_patterns[symmetry])\n configs = iter(strained_configs)\n\n strain = np.zeros((N_pattern, N_steps, 6))\n stress = np.zeros((N_pattern, N_steps, 6))\n\n if graphics:\n fig = plt.figure(num=1, figsize=(9.5, 8), facecolor=\"white\")\n fig.clear()\n fig.subplots_adjust(left=0.07, right=0.97, top=0.97, bottom=0.07, wspace=0.5, hspace=0.5)\n\n for index1 in range(6):\n for index2 in range(6):\n # position this plot in a 6x6 grid\n sp = plt.subplot(6, 6, 6 * (index1) + index2 + 1)\n sp.set_axis_off()\n plt.text(0.4, 0.4, \"n/a\")\n\n # Fill in strain and stress arrays from config Atoms list\n with open(\"Detail-\" + tag + \".txt\", \"w\") as f:\n for pattern_index, (_pattern, fit_pairs) in enumerate(strain_patterns[symmetry]):\n for step in range(N_steps):\n at = next(configs)\n t0 = time()\n E0 = at.get_potential_energy()\n if optimizer is not None:\n optimizer(at, logfile=logfile).run(**kwargs)\n else:\n # update position\n pos = read(\"geo_end.gen\").get_positions()\n at.set_positions(pos)\n E1 = at.get_potential_energy()\n fmax = np.abs(at.get_forces()).max()\n t1 = time() - t0\n strs = f\"\\n{tag:8s} {pattern_index:2d}/{step:2d}\\n\"\n strs += f\"Eng: {E0:.4f} -> {E1:.4f}, \"\n strs += f\"dE: {E1 - E0:.4f}\\n\"\n strs += f\"fmax: {fmax:.5f}\\n\"\n strs += f\"time: {t1:.1f}\\n\"\n strain_info = full_3x3_to_Voigt_6_strain(at.info[\"strain\"])\n stress_info = at.get_stress()\n strain[pattern_index, step, :] = strain_info\n stress[pattern_index, step, :] = stress_info\n # print(\"Cell\\n\", at.get_cell())\n strs += \"Strain {:.3f} {:.3f} {:.3f} {:.3f} {:.3f} {:.3f}\\n\".format(*strain_info)\n strs += \"Stress (GPa) {:.2f} {:.2f} {:.2f} {:.2f} {:.2f} {:.2f}\\n\".format(*(stress_info / units.GPa))\n f.write(strs)\n print(strs)\n\n # Do the linear regression\n for pattern_index, (_pattern, fit_pairs) in enumerate(strain_patterns[symmetry]):\n for index1, index2 in fit_pairs:\n fitted, err = do_fit(\n index1,\n index2,\n stress[pattern_index, :, :],\n strain[pattern_index, :, :],\n pattern_index,\n )\n\n index = abs(Cij_map_sym[(index1, index2)])\n\n if index not in Cijs:\n if verbose:\n print(\"Setting C%d%d (%d) to %f +/- %f\" % (index1 + 1, index2 + 1, index, fitted, err))\n Cijs[index] = [fitted]\n Cij_err[index] = [err]\n else:\n if verbose:\n print(\"Updating C%d%d (%d) with value %f +/- %f\" % (index1 + 1, index2 + 1, index, fitted, err))\n Cijs[index].append(fitted)\n Cij_err[index].append(err)\n if verbose:\n print(\"\\n\")\n\n C = np.zeros((6, 6))\n C_err = np.zeros((6, 6))\n C_labels = np.zeros((6, 6), dtype=\"S4\")\n C_labels[:] = \" \"\n\n # Convert lists to mean\n for k in Cijs:\n Cijs[k] = np.mean(Cijs[k])\n\n # Combine statistical errors\n for k, v in Cij_err.items():\n Cij_err[k] = np.sqrt(np.sum(np.array(v) ** 2)) / np.sqrt(len(v))\n\n if symmetry.startswith(\"trigonal\"):\n # Special case for trigonal lattice: C66 = (C11 - C12)/2\n Cijs[Cij_map[(5, 5)]] = 0.5 * (Cijs[Cij_map[(0, 0)]] - Cijs[Cij_map[(0, 1)]])\n Cij_err[Cij_map[(5, 5)]] = np.sqrt(Cij_err[Cij_map[(0, 0)]] ** 2 + Cij_err[Cij_map[(0, 1)]] ** 2)\n\n # Generate the 6x6 matrix of elastic constants\n # - negative values signify a symmetry relation\n for i in range(6):\n for j in range(6):\n index = Cij_symmetry[symmetry][i, j]\n if index > 0:\n C[i, j] = Cijs[index]\n C_err[i, j] = Cij_err[index]\n ii, jj = Cij_rev_map[index]\n C_labels[i, j] = \" C%d%d\" % (ii + 1, jj + 1)\n C_err[i, j] = Cij_err[index]\n elif index < 0:\n C[i, j] = -Cijs[-index]\n C_err[i, j] = Cij_err[-index]\n ii, jj = Cij_rev_map[-index]\n C_labels[i, j] = \"-C%d%d\" % (ii + 1, jj + 1)\n if GPa:\n C /= units.GPa\n C_err /= units.GPa\n\n if verbose:\n print(np.array2string(C_labels).replace(\"'\", \"\"))\n print(\"\\n = \\n\")\n print(np.array2string(C / units.GPa, suppress_small=True, precision=2))\n # Summarise the independent components of C_ij matrix\n printed = {}\n for i in range(6):\n for j in range(6):\n index = Cij_symmetry[symmetry][i, j]\n if index <= 0 or index in printed:\n continue\n print(\"C_%d%d = %-4.2f +/- %-4.2f GPa\" % (i + 1, j + 1, C[i, j] / units.GPa, C_err[i, j] / units.GPa))\n printed[index] = 1\n\n return C, C_err\n\n\ndef youngs_modulus(C, l):\n \"\"\"\n Calculate approximate Youngs modulus E_l from 6x6 elastic constants matrix C_ij\n\n This is the modulus for loading in the l direction. For the exact answer, taking\n into account elastic anisotropuy, rotate the C_ij matrix to the correct frame,\n compute the compliance matrix::\n\n C = ... # 6x6 C_ij matrix in crystal frame\n A = ... # rotation matrix\n Cr = rotate_elastic_constants(C, A)\n S = np.inv(Cr)\n E_x = 1/S[0, 0] # Young's modulus for a pull in x direction\n E_y = 1/S[1, 1] # Young's modulus for a pull in y direction\n E_z = 1/S[0, 0] # Young's modulus for a pull in z direction\n\n Notes\n -----\n\n Formula is from W. Brantley, Calculated elastic constants for stress problems associated\n with semiconductor devices. J. Appl. Phys., 44, 534 (1973).\n \"\"\"\n\n S = inv(C) # Compliance matrix\n lhat = l / norm(l) # Normalise directions\n\n # Youngs modulus in direction l, ratio of stress sigma_l\n # to strain response epsilon_l\n return 1.0 / (\n S[0, 0]\n - 2.0\n * (S[0, 0] - S[0, 1] - 0.5 * S[3, 3])\n * (\n lhat[0] * lhat[0] * lhat[1] * lhat[1]\n + lhat[1] * lhat[1] * lhat[2] * lhat[2]\n + lhat[0] * lhat[0] * lhat[2] * lhat[2]\n )\n )\n\n\ndef poisson_ratio(C, l, m):\n \"\"\"\n Calculate Poisson ratio \\nu_{lm} from 6x6 elastic constant C_{ij}.\n The response in `m` direction to pulling in `l` direction. \n Result is dimensionless.\n Formula is from W. Brantley, Calculated elastic constants for stress problems associated\n with semiconductor devices. J. Appl. Phys., 44, 534 (1973).\n \"\"\"\n\n S = inv(C) # Compliance matrix\n lhat = l / norm(l) # Normalise directions\n mhat = m / norm(m)\n\n # Poisson ratio v_lm: response in m direction to strain in\n # l direction, v_lm = - epsilon_m/epsilon_l\n return -(\n (\n S[0, 1]\n + (S[0, 0] - S[0, 1] - 0.5 * S[3, 3])\n * (\n lhat[0] * lhat[0] * mhat[0] * mhat[0]\n + lhat[1] * lhat[1] * mhat[1] * mhat[1]\n + lhat[2] * lhat[2] * mhat[2] * mhat[2]\n )\n )\n / (\n S[0, 0]\n - 2.0\n * (S[0, 0] - S[0, 1] - 0.5 * S[3, 3])\n * (\n lhat[0] * lhat[0] * lhat[1] * lhat[1]\n + lhat[1] * lhat[1] * lhat[2] * lhat[2]\n + lhat[0] * lhat[0] * lhat[2] * lhat[2]\n )\n )\n )\n\n\ndef elastic_moduli(C, l=np.array([1, 0, 0]), R=None, tol=1e-6):\n \"\"\"\n Calculate elastic moduli from 6x6 elastic constant matrix C_{ij}.\n\n The elastic moduli calculated are: Young's muduli, Poisson's ratios,\n shear moduli, bulk mudulus and bulk mudulus tensor.\n\n If a direction l is specified, the system is rotated to have it as its\n x direction (see Notes for details). If R is specified the system is\n rotated according to it.\n\n Parameters\n ----------\n C : array_like\n 6x6 stiffness matrix (Voigt notation).\n l : array_like, optional\n 3D direction vector for pull (the default is the x direction\n of the original system)\n R : array_like, optional\n 3x3 rotation matrix.\n\n Returns\n -------\n E : array_like\n Young's modulus for a stress in each of the three directions\n of the rotated system.\n nu : array_like\n 3x3 matrix with Poisson's ratios.\n Gm : array_like\n 3x3 matrix with shear moduli.\n B : float\n Bulk modulus.\n K : array_like\n 3x3 matrix with bulk modulus tensor.\n\n Other Parameters\n ----------------\n tol : float, optional\n tolerance for checking validity of rotation and comparison\n of vectors.\n\n Notes\n ---\n It works by rotating the elastic constant tensor to the desired\n direction, so it should be valid for arbitrary crystal structures.\n If only l is specified there is an infinite number of possible\n rotations. The chosen one is a rotation along the axis orthogonal\n to the plane defined by the vectors (1, 0, 0) and l.\n\n Bulk modulus tensor as defined in\n O. Rand and V. Rovenski, \"Analytical Methods in Anisotropic\n Elasticity\", Birkh\\\"auser (2005), pp. 71.\n\n \"\"\"\n\n if R is not None:\n R = np.asarray(R)\n\n # Is this a rotation matrix?\n if any(np.abs(np.dot(np.array(R), np.transpose(np.array(R))) - np.eye(3, dtype=float)) > tol):\n raise RuntimeError(\"Matrix *R* does not describe a rotation.\")\n else:\n u_a = np.array([1, 0, 0])\n u_b = l / norm(l) # Normalise directions\n R = np.eye(3)\n\n if not np.allclose(l, u_a, rtol=tol, atol=tol):\n u_v = np.cross(u_a, u_b)\n u_v_mat = np.array([[0, -u_v[2], u_v[1]], [u_v[2], 0, -u_v[0]], [-u_v[1], u_v[0], 0]])\n\n R = R + u_v_mat + np.dot(u_v_mat, u_v_mat) * (1 - np.dot(u_a, u_b)) / np.linalg.norm(u_v) ** 2\n\n Cr = rotate_elastic_constants(C, R)\n S = np.linalg.inv(Cr)\n\n # Young's modulus for a stress in \\alpha direction; \\alpha = x, y, z\n E = np.zeros(3)\n E[0] = 1 / S[0, 0]\n E[1] = 1 / S[1, 1]\n E[2] = 1 / S[2, 2]\n\n # Poisson's ratio ($\\alpha$, $\\beta$); $\\alpha$, $\\beta$ = x, y, z\n nu = np.array(\n [\n [-1, -S[1, 0] / S[0, 0], -S[2, 0] / S[0, 0]],\n [-S[0, 1] / S[1, 1], -1, -S[2, 1] / S[1, 1]],\n [-S[0, 2] / S[2, 2], -S[1, 2] / S[2, 2], -1],\n ]\n )\n\n # Shear modulus ($\\alpha$, $\\beta$); $\\alpha$, $\\beta$ = x, y, z\n G = np.zeros(3)\n G[0] = 1 / S[3, 3] # Shear modulus yz\n G[1] = 1 / S[4, 4] # Shear modulus zx\n G[2] = 1 / S[5, 5] # Shear modulus xy\n Gm = np.array([[E[0] / 4, G[2], G[1]], [G[2], E[1] / 4, G[0]], [G[1], G[0], E[2] / 4]])\n\n # Bulk modulus\n B = 1 / np.sum(S[0:3, 0:3])\n\n # Bulk modulus tensor\n Crt = Voigt_6x6_to_full_3x3x3x3(Cr)\n K = np.einsum(\"ijkk\", Crt)\n\n return E, nu, Gm, B, K\n\n\ndef elastic_properties(C):\n \"\"\"\n A quick summary of elastic properties from the 6*6 matrix\n \"\"\"\n Kv = C[:3, :3].mean()\n Gv = (C[0, 0] + C[1, 1] + C[2, 2] - (C[0, 1] + C[1, 2] + C[2, 0]) + 3 * (C[3, 3] + C[4, 4] + C[5, 5])) / 15\n Ev = 1 / ((1 / (3 * Gv)) + (1 / (9 * Kv)))\n vv = 0.5 * (1 - ((3 * Gv) / (3 * Kv + Gv)))\n S = np.linalg.inv(C)\n Kr = 1 / ((S[0, 0] + S[1, 1] + S[2, 2]) + 2 * (S[0, 1] + S[1, 2] + S[2, 0]))\n Gr = 15 / (\n 4 * (S[0, 0] + S[1, 1] + S[2, 2]) - 4 * (S[0, 1] + S[1, 2] + S[2, 0]) + 3 * (S[3, 3] + S[4, 4] + S[5, 5])\n )\n Er = 1 / ((1 / (3 * Gr)) + (1 / (9 * Kr)))\n vr = 0.5 * (1 - ((3 * Gr) / (3 * Kr + Gr)))\n\n Kh = (Kv + Kr) / 2\n Gh = (Gv + Gr) / 2\n Eh = (Ev + Er) / 2\n vh = (vv + vr) / 2\n return Kv, Gv, Ev, vv, Kr, Gr, Er, vr, Kh, Gh, Eh, vh\n" }, { "path": "pyxtal/interface/Installation.md", "content": "## GULP instruction\n```\n$ export PATH=/scratch/qzhu/pkgs/gulp-5.2/Src:$PATH\n$ export GULP_LIB=/scratch/qzhu/pkgs/gulp-5.2/Libraries\n```\n" }, { "path": "pyxtal/interface/LATTE_templates/MDcontroller", "content": "MAXITER= 1000\nUDNEIGH= 25\nDT= 0.25\nTEMPERATURE= 300.0 RNDIST= GAUSSIAN SEEDINIT= UNIFORM\nDUMPFREQ= 250\nRSFREQ= 5000\nWRTFREQ= 20\nTOINITTEMP5= 1\nTHERMPER= 500\nTHERMRUN= 100000\nNVTON= 5 NPTON= 0 AVEPER= 1000 FRICTION= 1000.0 SEED= 54\nPTARGET= 1.0 NPTTYPE= ISO\nSHOCKON= 0\nSHOCKSTART= 100000\nSHOCKDIR= 1\nUPARTICLE= 500.0 USHOCK= -4590.0 C0= 1300.0\nMDADAPT= 0\nGETHUG= 0 E0= -1439.76 V0= 2959.6056192814552 P0= 0.128777\n" }, { "path": "pyxtal/interface/LATTE_templates/TBparam/bondints.nonortho", "content": "Noints= 34\nElement1 Element2 Kind H0 B1 B2 B3 B4 B5 R1 Rcut H0 B1 B2 B3 B4 B5 R1 Rcut\nC C sss -8.934050 -1.604058 -0.520371 0.000000 -0.000000 1.400000 5.000000 5.500000 0.343720 -1.488604 -0.487281 0.055159 -0.006759 1.400000 5.000000 5.500000 \nC C sps 8.391509 -0.864267 -0.747101 0.000000 -0.000000 1.400000 5.000000 5.500000 -0.390127 -0.988150 -0.742529 0.192232 -0.038713 1.400000 5.000000 5.500000 \nC C pps 6.395707 -0.707833 -0.504416 0.000000 -0.000000 1.400000 5.000000 5.500000 -0.333411 0.070281 -1.873111 1.001934 -0.248703 1.400000 5.000000 5.500000 \nC C ppp -3.517340 -1.883201 -0.077008 0.000000 -0.000000 1.400000 5.000000 5.500000 0.209485 -1.849528 -0.382195 0.041854 -0.007993 1.400000 5.000000 5.500000 \nN N sss -5.707074 -2.306020 -0.273939 0.000000 -0.000000 1.500000 5.000000 5.500000 0.214793 -1.922919 -0.484915 0.079605 -0.016140 1.500000 5.000000 5.500000 \nN N sps 7.549866 -1.456625 -0.462899 0.000000 -0.000000 1.500000 5.000000 5.500000 -0.280782 -1.461806 -0.658868 0.184148 -0.045965 1.500000 5.000000 5.500000 \nN N pps 6.497746 -1.294480 -0.324354 0.000000 -0.000000 1.500000 5.000000 5.500000 -0.284850 -0.696498 -1.300096 0.709604 -0.206469 1.500000 5.000000 5.500000 \nN N ppp -2.740779 -2.249729 -0.096116 0.000000 -0.000000 1.500000 5.000000 5.500000 0.127020 -2.153332 -0.355743 0.037623 -0.008967 1.500000 5.000000 5.500000 \nO O sss -14.937277 -1.614961 -0.339180 0.000000 -0.000000 1.200000 5.000000 5.500000 0.282381 -1.963517 -0.596227 0.127360 -0.025179 1.200000 5.000000 5.500000 \nO O sps 13.700053 -1.854109 -0.332985 0.000000 -0.000000 1.200000 5.000000 5.500000 -0.344630 -1.366777 -0.834614 0.247931 -0.052705 1.200000 5.000000 5.500000 \nO O pps 9.001815 -1.460299 -0.268820 0.000000 -0.000000 1.200000 5.000000 5.500000 -0.290473 -0.248901 -1.733179 0.798610 -0.182073 1.200000 5.000000 5.500000 \nO O ppp -5.107343 -2.099762 -0.046522 0.000000 -0.000000 1.200000 5.000000 5.500000 0.178501 -2.194056 -0.388997 0.045256 -0.009246 1.200000 5.000000 5.500000 \nC O sss -11.005303 -1.978634 -0.454607 0.000000 -0.000000 1.200000 5.000000 5.500000 0.363767 -1.567417 -0.578872 0.096984 -0.015546 1.200000 5.000000 5.500000 \nC O sps 9.800910 -1.179193 -0.394262 0.000000 -0.000000 1.200000 5.000000 5.500000 -0.359462 -0.857862 -0.926813 0.267938 -0.050923 1.200000 5.000000 5.500000 \nO C sps 13.727062 -1.387462 -0.346539 0.000000 -0.000000 1.200000 5.000000 5.500000 -0.442630 -1.081792 -0.815689 0.217586 -0.042192 1.200000 5.000000 5.500000 \nC O pps 8.337188 -0.888428 -0.493834 0.000000 -0.000000 1.200000 5.000000 5.500000 -0.298197 0.340651 -2.095903 0.981487 -0.212677 1.200000 5.000000 5.500000 \nC O ppp -5.023209 -2.142009 -0.109942 0.000000 -0.000000 1.200000 5.000000 5.500000 0.230948 -1.917887 -0.404058 0.047634 -0.008733 1.200000 5.000000 5.500000 \nC N sss -7.016284 -2.145166 -0.493367 0.000000 -0.000000 1.500000 5.000000 5.500000 0.253524 -1.742054 -0.483621 0.066958 -0.011254 1.500000 5.000000 5.500000 \nC N sps 7.729578 -1.402928 -0.674396 0.000000 -0.000000 1.500000 5.000000 5.500000 -0.302838 -1.236485 -0.697479 0.192271 -0.044565 1.500000 5.000000 5.500000 \nN C sps 8.383196 -1.502518 -0.426192 0.000000 -0.000000 1.500000 5.000000 5.500000 -0.327300 -1.337970 -0.658645 0.172226 -0.040512 1.500000 5.000000 5.500000 \nC N pps 6.152442 -0.943910 -0.495091 0.000000 -0.000000 1.500000 5.000000 5.500000 -0.306999 -0.484299 -1.437805 0.801708 -0.226829 1.500000 5.000000 5.500000 \nC N ppp -2.854177 -2.054023 -0.102927 0.000000 -0.000000 1.500000 5.000000 5.500000 0.148675 -2.034035 -0.364707 0.038393 -0.008457 1.500000 5.000000 5.500000 \nN O sss -9.800110 -2.389434 -0.427942 0.000000 -0.000000 1.200000 5.000000 5.500000 0.322615 -1.772266 -0.584180 0.113994 -0.020655 1.200000 5.000000 5.500000 \nN O sps 10.697957 -1.408732 -0.530055 0.000000 -0.000000 1.200000 5.000000 5.500000 -0.357853 -1.133974 -0.870166 0.257093 -0.051703 1.200000 5.000000 5.500000 \nO N sps 11.422880 -1.038934 -0.320181 0.000000 -0.000000 1.200000 5.000000 5.500000 -0.393584 -1.223014 -0.820414 0.233193 -0.047389 1.200000 5.000000 5.500000 \nN O pps 8.884051 -1.188542 -0.400780 0.000000 -0.000000 1.200000 5.000000 5.500000 -0.298451 0.023080 -1.883157 0.874215 -0.193692 1.200000 5.000000 5.500000 \nN O ppp -4.735483 -2.221835 -0.071803 0.000000 -0.000000 1.200000 5.000000 5.500000 0.204625 -2.055114 -0.392109 0.047073 -0.009193 1.200000 5.000000 5.500000 \nH C sss -9.355801 -1.312466 -0.697473 0.000000 -0.000000 1.100000 5.000000 5.500000 0.402044 -1.504587 -0.627071 0.078410 -0.009699 1.100000 5.000000 5.500000 \nH C sps 7.623792 -0.970945 -0.448309 0.000000 -0.000000 1.100000 5.000000 5.500000 -0.483327 -0.960315 -0.992701 0.385761 -0.110502 1.100000 5.000000 5.500000 \nH N sss -11.722444 -1.503544 -0.624941 0.000000 -0.000000 1.000000 5.000000 5.500000 0.428682 -1.583978 -0.681399 0.106288 -0.016236 1.000000 5.000000 5.500000 \nH N sps 9.348231 -1.216607 -0.426100 0.000000 -0.000000 1.000000 5.000000 5.500000 -0.481404 -0.890317 -1.126260 0.448262 -0.119891 1.000000 5.000000 5.500000 \nH O sss -11.247450 -1.784903 -0.510711 0.000000 -0.000000 1.000000 5.000000 5.500000 0.389257 -1.773934 -0.716854 0.121158 -0.021296 1.000000 5.000000 5.500000 \nH O sps 9.307728 -1.303985 -0.383430 0.000000 -0.000000 1.000000 5.000000 5.500000 -0.433289 -1.029012 -1.143228 0.460892 -0.129739 1.000000 5.000000 5.500000 \nH H sss -9.160773 -1.160165 -0.468804 0.000000 -0.000000 0.750000 5.000000 5.500000 0.561801 -1.452310 -0.815589 0.090827 -0.015928 0.750000 5.000000 5.500000 \n" }, { "path": "pyxtal/interface/LATTE_templates/TBparam/control.in", "content": "Control= 1\nBASISTYPE= NONORTHO\nSCLTYPE= EXP\nDEBUGON= 0\nFERMIM= 6\nCGORLIB= 1 CGTOL= 1.0e-6\nKBT= 0.2\nNORECS= 1\nENTROPYKIND= 1\nPPOTON= 1 PLUSDON= 1\nSPINON= 0 SPINTOL= 1.0e-6\nELECTRO= 1 ELECMETH= 0 ELEC_ETOL= 0.001 ELEC_QTOL= 1.0e-6\nCOULACC= 1.0e-6 COULCUT= 12.0 COULR1= 50.0\nMAXSCF= 100\nBREAKTOL= 1.0E-6 MINSP2ITER= 22 SP2CONV= REL\nFULLQCONV= 1 QITER= 2\nQMIX= 0.05 SPINMIX= 0.1 MDMIX= 0.125\nORDERNMOL= 0\nSPARSEON= 0 THRESHOLDON= 1 NUMTHRESH= 1.0e-6 FILLINSTOP= 100 BLKSZ= 4\nMSPARSE= 3000\nLCNON= 0 LCNITER= 4 CHTOL= 0.01\nSKIN= 1.0\nRELAX= 1 RELAXTYPE= SD MAXITER= 30 RLXFTOL= 0.100\nMDON= 0\nPBCON= 1\nRESTART= 0\nCHARGE= 0\nXBO= 1\nXBODISON= 1\nXBODISORDER= 5\nNGPU= 1\nKON= 0\nCOMPFORCE= 1\nDOSFIT= 0 INTS2FIT= 1 BETA= 1000.0 NFITSTEP= 5000 QFIT= 0 MCSIGMA= 0.2\nPPFITON= 0\nALLFITON= 0\nPPSTEP= 500 BISTEP= 500 PP2FIT= 2 BINT2FIT= 6 \nPPBETA= 1000.0 PPSIGMA= 0.01 PPNMOL= 10 PPNGEOM= 200\nPARREP= 0\nER= 1.0\nNVTON=5\nRSFREQ= 1000\n" }, { "path": "pyxtal/interface/LATTE_templates/TBparam/control.in.bak", "content": "Control= 1\nBASISTYPE= NONORTHO\nSCLTYPE= EXP\nDEBUGON= 0\nFERMIM= 6\nCGORLIB= 1 CGTOL= 1.0e-6\nKBT= 0.2\nNORECS= 1\nENTROPYKIND= 1\nPPOTON= 1 PLUSDON= 1\nSPINON= 0 SPINTOL= 1.0e-6\nELECTRO= 1 ELECMETH= 0 ELEC_ETOL= 0.001 ELEC_QTOL= 1.0e-6\nCOULACC= 1.0e-6 COULCUT= 12.0 COULR1= 50.0\nMAXSCF= 100\nBREAKTOL= 1.0E-6 MINSP2ITER= 22 SP2CONV= REL\nFULLQCONV= 1 QITER= 2\nQMIX= 0.05 SPINMIX= 0.1 MDMIX= 0.125\nORDERNMOL= 0\nSPARSEON= 0 THRESHOLDON= 1 NUMTHRESH= 1.0e-6 FILLINSTOP= 100 BLKSZ= 4\nMSPARSE= 3000\nLCNON= 0 LCNITER= 4 CHTOL= 0.01\nSKIN= 1.0\nRELAX=1\nMDON= 0\nPBCON= 1\nRESTART=1\nCHARGE= 0\nXBO= 1\nXBODISON= 1\nXBODISORDER= 5\nNGPU= 1\nKON= 0\nCOMPFORCE= 1\nDOSFIT= 0 INTS2FIT= 1 BETA= 1000.0 NFITSTEP= 5000 QFIT= 0 MCSIGMA= 0.2\nPPFITON= 0\nALLFITON= 0\nPPSTEP= 500 BISTEP= 500 PP2FIT= 2 BINT2FIT= 6 \nPPBETA= 1000.0 PPSIGMA= 0.01 PPNMOL= 10 PPNGEOM= 200\nPARREP= 0\nER= 1.0\nNVTON=5\n\n# --- Appended by LATTECalc ---\nMAXITER=300\nRLXFTOL=1.0E-03\n" }, { "path": "pyxtal/interface/LATTE_templates/TBparam/ppots.nonortho", "content": "Nopps= 10\nEle1 Ele2 A0 A1 A2 A3 A4 A5 A6 C R1 Rcut\nN O 0.585174 -13.630616 -16.729136 -16.589565 0.000000 1.200000 0.000000 0.000000 2.000000 2.500000 \nC N 0.148562 -13.512681 -14.280038 -9.118015 0.000000 1.500000 0.000000 0.000000 2.000000 2.500000 \nN N 0.032636 -18.399587 -19.546888 -10.810899 0.000000 1.500000 0.000000 0.000000 2.000000 2.500000 \nC O 1.670258 -9.549889 -10.137473 -12.295289 0.000000 1.200000 0.000000 0.000000 2.000000 2.500000 \nC C 0.309908 -13.092197 -15.134245 -10.913844 0.000000 1.400000 0.000000 0.000000 2.000000 2.500000 \nO O 2.572927 -7.103864 -6.904440 -12.090310 0.000000 1.200000 0.000000 0.000000 2.000000 2.500000 \nN H 0.968008 -8.760215 -8.873476 -11.230357 0.000000 1.000000 0.000000 0.000000 1.600000 2.000000 \nO H 0.508863 -11.440143 -16.239463 -23.819501 0.000000 1.000000 0.000000 0.000000 1.600000 2.000000 \nC H 0.206824 -14.019158 -21.991607 -25.118148 0.000000 1.100000 0.000000 0.000000 1.600000 2.000000 \nH H 0.204732 -16.086792 -24.718534 0.000000 0.000000 0.750000 0.000000 0.000000 1.200000 1.400000 \n" }, { "path": "pyxtal/interface/LATTE_templates/TBparam/ppotsplusD.nonortho", "content": "noppd= 4\ns6= 1.0384807055937466\nganna= 23.000000000000000\nrcut= 12.0\nppele r0 c6\nC 1.981760173 17.100000000\nH 1.282315406 1.660000000\nN 1.806898982 11.500000000\nO 1.771926743 7.200000000\n\n" }, { "path": "pyxtal/interface/LATTE_templates/alpha_match.cif", "content": "#############################################################\n# ______ _ _ _ #\n# (_____ \\ \\ \\ / / | | #\n# _____) ) _ \\ \\/ / |_ ____| | #\n# | ____/ | | | ) (| _)/ _ | | #\n# | | | |_| |/ /\\ \\ |_( (_| | |___ #\n# |_| \\__ /_/ \\_\\___)__|_|_____) #\n# (____/ #\n#---------------------(version 1.1.0)--------------------#\n# A Python package for random crystal generation #\n# url: https://github.com/qzhu2017/pyxtal #\n# @Zhu's group at University of Nevada Las Vegas #\n#############################################################\ndata_1-d0.770-spg77-e24.076\n\n_symmetry_space_group_name_H-M 'P42'\n_symmetry_Int_Tables_number 77\n_symmetry_cell_setting tetragonal\n_cell_length_a 22.272039\n_cell_length_b 22.272039\n_cell_length_c 7.349282\n_cell_angle_alpha 90.000000\n_cell_angle_beta 90.000000\n_cell_angle_gamma 90.000000\n_cell_volume 3645.565192\n\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n1 'x, y, z'\n2 '-x, -y, z'\n3 '-y, x, z+1/2'\n4 'y, -x, z+1/2'\n\nloop_\n _atom_site_label\n _atom_site_type_symbol\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\nO O 4 0.961000 0.637000 0.187000 1\nC C 4 0.909000 0.654000 0.187000 1\nN N 4 0.874000 0.666000 0.039000 1\nC C 4 0.817000 0.686000 0.093000 1\nC C 4 0.768000 0.706000 -0.009000 1\nC C 4 0.718000 0.727000 0.090000 1\nC C 4 0.718000 0.727000 0.284000 1\nC C 4 0.768000 0.706000 0.383000 1\nC C 4 0.817000 0.687000 0.282000 1\nN N 4 0.874000 0.666000 0.336000 1\nC C 4 0.660000 0.751000 0.369000 1\nC C 4 0.610000 0.712000 0.284000 1\nC C 4 0.569000 0.677000 0.383000 1\nC C 4 0.529000 0.643000 0.281000 1\nN N 4 0.487000 0.599000 0.335000 1\nC C 4 0.463000 0.570000 0.187000 1\nO O 4 0.431000 0.526000 0.187000 1\nN N 4 0.487000 0.599000 0.039000 1\nC C 4 0.529000 0.643000 0.093000 1\nC C 4 0.569000 0.677000 -0.009000 1\nC C 4 0.610000 0.712000 0.090000 1\nC C 4 0.660000 0.751000 0.006000 1\nC C 4 0.652000 0.813000 0.091000 1\nC C 4 0.647000 0.867000 -0.009000 1\nC C 4 0.642000 0.920000 0.093000 1\nN N 4 0.640000 0.981000 0.039000 1\nC C 4 0.640000 1.018000 0.187000 1\nO O 4 0.641000 1.073000 0.187000 1\nN N 4 0.640000 0.981000 0.336000 1\nC C 4 0.642000 0.920000 0.282000 1\nC C 4 0.647000 0.867000 0.383000 1\nC C 4 0.652000 0.813000 0.284000 1\nH H 4 0.887000 0.659000 -0.092000 1\nH H 4 0.769000 0.706000 -0.156000 1\nH H 4 0.769000 0.706000 0.531000 1\nH H 4 0.887000 0.659000 0.466000 1\nH H 4 0.660000 0.751000 0.518000 1\nH H 4 0.569000 0.676000 0.530000 1\nH H 4 0.481000 0.585000 0.466000 1\nH H 4 0.481000 0.585000 -0.092000 1\nH H 4 0.569000 0.676000 -0.156000 1\nH H 4 0.660000 0.751000 -0.143000 1\nH H 4 0.648000 0.868000 -0.156000 1\nH H 4 0.639000 0.995000 -0.092000 1\nH H 4 0.639000 0.995000 0.466000 1\nH H 4 0.648000 0.868000 0.531000 1\n#END\n" }, { "path": "pyxtal/interface/LATTE_templates/latte_calc.py", "content": "import os\nimport subprocess\nimport re\n\nimport numpy as np\nfrom ase import Atoms\nfrom pyxtal import pyxtal\nfrom pyxtal.lattice import Lattice\n\n\nclass LATTECalc:\n \"\"\"\n Minimal LATTE calculator for PyXtal / ASE.\n\n Assumes the current working directory (workdir) contains:\n - LATTE executable (exe, e.g. './LATTE_DOUBLE')\n - TBparam/ directory with control.in etc.\n - MDcontroller\n - bl/ directory (will be created if missing)\n\n It does NOT change directories or create extra folders.\n \"\"\"\n\n def __init__(\n self,\n struc,\n exe=\"./LATTE_DOUBLE\",\n workdir=\".\",\n log_name=\"latte.log\",\n relax=None, # currently only used as a flag, not editing control.in\n timeout=3600,\n control_relax=None, # int 0/1, if None => don’t touch RELAX\n control_maxiter=None, # int, if None => don’t touch MAXITER\n control_rlxftol=None, # float, if None => don’t touch RLXFTOL\n control_restart=None, # int 0/1, if None => don’t touch RESTART\n ):\n # keep paths absolute to be safe\n self.workdir = os.path.abspath(workdir)\n self.exe = os.path.abspath(os.path.join(self.workdir, exe))\n self.log_name = log_name\n self.log_path = os.path.join(self.workdir, self.log_name)\n self.relax = relax if relax is not None else self._read_relax_from_control()\n self.timeout = timeout\n self.control_relax = control_relax\n self.control_maxiter = control_maxiter\n self.control_rlxftol = control_rlxftol\n self.control_restart = control_restart\n\n # --- handle structure (pyxtal or ASE Atoms) ---\n if isinstance(struc, pyxtal):\n self.pyxtal = struc\n self.species = struc.species\n struc = struc.to_ase(resort=False)\n else:\n self.pyxtal = None\n\n if isinstance(struc, Atoms):\n self.lattice = Lattice.from_matrix(struc.cell)\n self.cart_coords = struc.get_positions() # Å\n self.sites = struc.get_chemical_symbols()\n else:\n raise NotImplementedError(\"LATTECalc only supports pyxtal or ASE Atoms objects\")\n\n self.structure = struc\n\n # results\n self.energy = None\n self.energy_per_atom = None\n self.forces = None\n self.stress = None\n self.optimized = False\n self.cputime = 0.0\n self.error = False\n\n def run(self):\n \"\"\"\n Run LATTE once:\n 1) write bl/inputblock.dat\n 2) run LATTE executable\n 3) parse log for total energy\n \"\"\"\n self._write_inputblock()\n self._apply_control_overrides()\n self._execute()\n self._read_output()\n # optional later: self._read_restart_geometry()\n\n def to_ase(self):\n #Return ASE Atoms for the (possibly) relaxed structure.\n #Right now we just keep the original positions; deal later\n\n cell = self.lattice.matrix\n positions = self.cart_coords\n return Atoms(self.sites, positions=positions, cell=cell, pbc=True)\n\n def to_pyxtal(self):\n \"\"\"\n Convert final structure back to pyxtal.\n \"\"\"\n ase_atoms = self.to_ase()\n for tol in [1e-2, 1e-3, 1e-4, 1e-5]:\n try:\n s = pyxtal()\n s.from_seed(ase_atoms, tol=tol)\n return s\n except Exception:\n pass\n return None\n\n def _write_inputblock(self):\n \"\"\"\n Write bl/inputblock.dat in the format LATTE expects:\n Natoms\n 3 lines: lattice vectors\n Natoms lines: element x y z (Å)\n \"\"\"\n bl_dir = os.path.join(self.workdir, \"bl\")\n if not os.path.exists(bl_dir):\n os.makedirs(bl_dir)\n\n natoms = len(self.sites)\n cell = self.lattice.matrix\n\n inputblock_path = os.path.join(bl_dir, \"inputblock.dat\")\n with open(inputblock_path, \"w\") as f:\n f.write(f\"{natoms:d}\\n\")\n for i in range(3):\n f.write(f\"{cell[i,0]: .10f} {cell[i,1]: .10f} {cell[i,2]: .10f}\\n\")\n for elem, pos in zip(self.sites, self.cart_coords):\n f.write(f\"{elem:s} {pos[0]: .10f} {pos[1]: .10f} {pos[2]: .10f}\\n\")\n def _apply_control_overrides(self):\n \"\"\"\n Update the RELAX line in TBparam/control.in with:\n RELAX= RELAXTYPE= SD MAXITER= RLXFTOL= \n \n If any of these parameters are missing (None), keep the old values.\n \"\"\"\n control_path = os.path.join(self.workdir, \"TBparam\", \"control.in\")\n if not os.path.exists(control_path):\n print(f\"Warning: {control_path} not found; cannot apply overrides.\")\n return\n \n # Read existing file\n with open(control_path, \"r\") as f:\n lines = f.readlines()\n \n new_lines = []\n relax_found = False\n restart_found = False\n # Defaults (will be replaced if line already has them)\n relax_val = self.control_relax\n relax_type = \"SD\"\n maxiter_val = self.control_maxiter\n rlxftol_val = self.control_rlxftol\n restart_val = self.control_restart\n \n for line in lines:\n if re.match(r\"^\\s*RELAX\\s*=\", line):\n relax_found = True\n \n # Extract old values if not provided\n old_relax = re.search(r\"RELAX\\s*=\\s*([0-9]+)\", line)\n old_maxit = re.search(r\"MAXITER\\s*=\\s*([0-9]+)\", line)\n old_ftol = re.search(r\"RLXFTOL\\s*=\\s*([-0-9.Ee]+)\", line)\n old_type = re.search(r\"RELAXTYPE\\s*=\\s*(\\w+)\", line)\n \n if relax_val is None and old_relax: relax_val = int(old_relax.group(1))\n if maxiter_val is None and old_maxit: maxiter_val = int(old_maxit.group(1))\n if rlxftol_val is None and old_ftol: rlxftol_val = float(old_ftol.group(1))\n if old_type: relax_type = old_type.group(1)\n \n # Construct new formatted line\n relax_val = 1 if relax_val is None else int(relax_val)\n maxiter_val = 300 if maxiter_val is None else int(maxiter_val)\n rlxftol_val = 1e-3 if rlxftol_val is None else float(rlxftol_val)\n \n new_line = f\"RELAX= {relax_val:d} RELAXTYPE= {relax_type} MAXITER= {maxiter_val:d} RLXFTOL= {rlxftol_val:.3f}\\n\"\n new_lines.append(new_line)\n # ---- RESTART block ----\n elif re.match(r\"^\\s*RESTART\\s*=\", line):\n restart_found = True\n old_restart = re.search(r\"RESTART\\s*=\\s*([0-9]+)\", line)\n if restart_val is None and old_restart:\n restart_val = int(old_restart.group(1))\n restart_val = 1 if restart_val is None else int(restart_val)\n new_lines.append(f\"RESTART= {restart_val:d}\\n\")\n else:\n new_lines.append(line)\n \n if not relax_found:\n # Append it at the end if missing\n relax_val = 1 if relax_val is None else int(relax_val)\n maxiter_val = 300 if maxiter_val is None else int(maxiter_val)\n rlxftol_val = 1e-3 if rlxftol_val is None else float(rlxftol_val)\n new_lines.append(f\"\\nRELAX= {relax_val:d} RELAXTYPE= {relax_type} MAXITER= {maxiter_val:d} RLXFTOL= {rlxftol_val:.3f}\\n\")\n\n # Append RESTART if missing\n if not restart_found:\n restart_val = 1 if restart_val is None else int(restart_val)\n new_lines.append(f\"RESTART= {restart_val:d}\\n\")\n\n with open(control_path, \"w\") as f:\n f.writelines(new_lines)\n\n def _read_relax_from_control(self):\n \"\"\"\n Read RELAX flag from TBparam/control.in and return True/False.\n Default to True if file not found or unreadable.\n \"\"\"\n control_path = os.path.join(self.workdir, \"TBparam\", \"control.in\")\n if not os.path.exists(control_path):\n return True\n with open(control_path, \"r\") as f:\n for line in f:\n if re.match(r\"^\\s*RELAX\\s*=\", line):\n try:\n val = int(line.split(\"=\")[1].strip().split()[0])\n return bool(val)\n except Exception:\n return True\n return True\n\n\n def _execute(self):\n \"\"\"\n Run LATTE in self.workdir, logging stdout+stderr to self.log_path.\n \"\"\"\n if not os.path.exists(self.exe):\n print(f\"LATTE executable not found at {self.exe}\")\n self.error = True\n return\n\n try:\n with open(self.log_path, \"w\") as fout:\n subprocess.run(\n [self.exe],\n stdout=fout,\n stderr=subprocess.STDOUT,\n timeout=self.timeout,\n check=True,\n cwd=self.workdir,\n )\n except subprocess.TimeoutExpired:\n print(f\"LATTE timed out after {self.timeout} s\")\n self.error = True\n except subprocess.CalledProcessError as e:\n print(f\"LATTE failed with return code {e.returncode}\")\n self.error = True\n\n def _read_output(self):\n \"\"\"\n Parse total energy from the log file.\n \"\"\"\n if self.error:\n return\n\n if not os.path.exists(self.log_path):\n print(\"LATTE log file not found\")\n self.error = True\n return\n\n Tot_energy = re.compile(r\"FREE ENERGY\\s*=\\s*([-0-9.Ee]+)\")\n\n last_e = None\n with open(self.log_path, \"r\") as f:\n for line in f:\n m = Tot_energy.search(line)\n if m:\n last_e = float(m.group(1))\n\n if last_e is None:\n print(\"Could not find total energy in LATTE log\")\n self.error = True\n return\n\n self.energy = last_e\n self.energy_per_atom = self.energy / len(self.sites)\n self.optimized = self.relax\n\n # optional stub for later\n def _read_restart_geometry(self):\n \"\"\"\n Stub: implement later if you want to read relaxed coords from bl/restart.dat.\n \"\"\"\n restart_path = os.path.join(self.workdir, \"bl\", \"restart.dat\")\n if not os.path.exists(restart_path):\n return\n # parse restart.dat here and update self.lattice & self.cart_coords\n # once you know the exact format\n pass\n\n\ndef latte_single_optimize(\n struc,\n exe=\"./LATTE_DOUBLE\",\n workdir=\".\",\n log_name=\"latte.log\",\n relax=None, # if None: auto-read RELAX from control.in\n timeout=3600,\n control_relax=None, # int 0/1 -> sets RELAX=\n control_maxiter=None, # int -> sets MAXITER=\n control_rlxftol=None, # float -> sets RLXFTOL=\n control_restart=None, # int 0/1 -> sets RESTART=\n):\n \"\"\"\n Returns: (pyxtal_struct, energy_per_atom, cputime, error_flag)\n Currently cputime is always 0.0 (LATTE doesn't give us an easy CPU time).\n \"\"\"\n calc = LATTECalc(\n struc,\n exe=exe,\n workdir=workdir,\n log_name=log_name,\n relax=relax,\n timeout=timeout,\n control_relax=control_relax,\n control_maxiter=control_maxiter,\n control_rlxftol=control_rlxftol,\n control_restart=control_restart,\n )\n calc.run()\n\n if calc.error:\n print(\"LATTE error in latte_single_optimize\")\n return None, None, 0.0, True\n else:\n final_pyxtal = calc.to_pyxtal() if calc.pyxtal is None else calc.to_pyxtal()\n return final_pyxtal, calc.energy_per_atom, calc.cputime, False\n\n" }, { "path": "pyxtal/interface/LATTE_templates/test.py", "content": "from pyxtal import pyxtal\nfrom ase.io import read\nfrom latte_calc import latte_single_optimize\n\n#s = pyxtal()\n#s.from_random(3, 19, [\"C\"], [4])\n# Load CIF file into ASE Atoms\ns = read(\"alpha_match.cif\")\n\ns_opt, epa, t, err = latte_single_optimize(\n s,\n exe=\"./LATTE_DOUBLE\",\n workdir=\".\",\n log_name=\"latte.log\",\n control_relax=1, # RELAX=1\n control_maxiter=30, # MAXITER=300\n control_rlxftol=0.1, # RLXFTOL=1.0E-03\n control_restart=0, # RESTART=1\n)\n\nprint(\"Error:\", err)\nprint(\"Energy per atom:\", epa)\nprint(\"Optimized structure (pyxtal):\", s_opt is not None)\n\n\n'''\nfrom pyxtal import pyxtal\nfrom latte_calc import LATTECalc\n\ns = pyxtal()\ns.from_random(3, 19, [\"C\"], [4])\n\ncalc = LATTECalc(\n s,\n exe=\"./LATTE_DOUBLE\",\n workdir=\".\",\n log_name=\"latte.log\",\n control_relax=1,\n control_maxiter=300,\n control_rlxftol=1.0e-3,\n control_restart=1,\n)\ncalc.run()\n\nprint(\"Error:\", calc.error)\nprint(\"Energy per atom:\", calc.energy_per_atom)\nprint(\"Optimized structure:\", calc.optimized)\n'''" }, { "path": "pyxtal/interface/LJ.py", "content": "import logging\nfrom time import time\n\nimport numpy as np\nfrom pymatgen.core.lattice import Lattice\n\nfrom pyxtal.operations import *\n\nlogging.basicConfig(filename=\"test.log\", level=logging.DEBUG)\neV2GPa = 160.217\nGPa2eV = 1.0 / eV2GPa\n\n\"\"\"\nScripts to compute LJ energy and force\n\"\"\"\n\n\ndef get_neighbors(struc, i, rcut):\n \"\"\"\n script to get the neighbors info for an atom in the struct\n \"\"\"\n lat = struc.lattice_matrix\n center = struc.cart_coords[i]\n struc.frac_coords[i]\n fcoords = struc.frac_coords\n r, dists, inds, images = Lattice(lat).get_points_in_sphere(fcoords, center=center, r=rcut, zip_results=False)\n ids = np.where(dists > 0.1)\n r = r[ids]\n r = np.dot(r, lat) - center\n return dists[ids] ** 2, r\n\n\nclass LJ:\n \"\"\"\n LJ model for 3D crystals, maybe extended to 0D, 1D, 2D later\n \"\"\"\n\n def __init__(self, epsilon=1.0, sigma=1.0, rcut=8.0):\n \"\"\"\n passing the parameter to LJ model\n - epsilon\n - sigma\n - rcut\n \"\"\"\n\n self.epsilon = epsilon\n self.sigma = sigma\n self.rcut = rcut\n\n def calc(self, struc, press=1e-4):\n pos = struc.cart_coords\n lat = struc.lattice_matrix\n volume = np.linalg.det(lat)\n\n # initiate the energy, force, stress\n energy = 0\n force = np.zeros([len(pos), 3])\n stress = np.zeros([3, 3])\n sigma6 = self.sigma**6\n sigma12 = sigma6 * sigma6\n\n # calculating the energy/force, needs to update sigma/epsilons\n for i, _pos0 in enumerate(pos):\n [r2, r] = get_neighbors(struc, i, self.rcut)\n r6 = np.power(r2, 3)\n r12 = np.power(r6, 2)\n energy += np.sum(4.0 * self.epsilon * (sigma12 / r12 - sigma6 / r6))\n f = (24 * self.epsilon * (2.0 * sigma12 / r12 - sigma6 / r6) / r2)[:, np.newaxis] * r\n force[i] = f.sum(axis=0)\n stress += np.dot(f.T, r)\n\n energy = 0.5 * energy\n enthalpy = energy + press * volume * GPa2eV\n force = force\n stress = -0.5 * stress / volume * eV2GPa\n\n return energy, enthalpy, force, stress\n\n\nclass FIRE:\n \"\"\"\n FIRE algorithm for structure optimization\n \"\"\"\n\n def __init__(\n self,\n struc,\n model,\n symmetrize=False,\n e_tol=1e-5,\n f_tol=1e-2,\n dt=0.1,\n maxmove=0.1,\n dtmax=1.0,\n Nmin=10,\n finc=1.1,\n fdec=0.5,\n astart=0.1,\n fa=0.99,\n a=0.1,\n ):\n \"\"\"\n Parameters for FIRE:\n \"\"\"\n\n self.dt = dt\n self.maxmove = maxmove\n self.symmetrize = symmetrize\n self.f_tol = f_tol\n self.e_tol = e_tol\n self.dtmax = dtmax\n self.Nmin = Nmin\n self.finc = finc\n self.fdec = fdec\n self.astart = astart\n self.fa = fa\n self.a = a\n self.nsteps = 0\n self.Nsteps = 0\n self.time0 = time()\n self.model = model\n self.struc = struc\n self.initialize()\n\n def initialize(self):\n \"\"\"\n initilaize the positions, energy, force for the 1st step\n \"\"\"\n self.energy, self.enthalpy, self.force, self.stress = self.model.calc(self.struc)\n self.fmax = np.max(np.abs(np.vstack((self.stress, self.force)).flatten()))\n self.v = np.zeros((len(self.force) + 3, 3))\n # print('Initial Energy: {:12.4f}'.format(self.energy))\n\n def update(self, freq=50):\n self.energy, self.enthalpy, self.force, self.stress = self.model.calc(self.struc)\n self.fmax = np.max(np.abs(np.vstack((self.stress, self.force)).flatten()))\n if self.nsteps % freq == 0:\n logging.debug(\n f\"Step {self.nsteps:4d} Enthalpy: {self.enthalpy:12.4f} Fmax: {self.fmax:12.4f} Vol: {self.volume:6.2f}\"\n )\n\n def step(self):\n f = np.vstack((self.stress, self.force))\n pos = np.vstack((self.struc.lattice_matrix, self.struc.cart_coords))\n\n vf = np.vdot(f, self.v)\n if vf > 0.0:\n self.v = (1.0 - self.a) * self.v + self.a * f / np.sqrt(np.vdot(f, f)) * np.sqrt(np.vdot(self.v, self.v))\n if self.Nsteps > self.Nmin:\n self.dt = min(self.dt * self.finc, self.dtmax)\n self.a *= self.fa\n self.Nsteps += 1\n else:\n self.v[:] *= 0.0\n self.a = self.astart\n self.dt *= self.fdec\n self.Nsteps = 0\n\n self.v += self.dt * f\n dr = self.dt * self.v # needs to impose constraints\n normdr = np.sqrt(np.vdot(dr, dr))\n if normdr > self.maxmove:\n dr = self.maxmove * dr / normdr\n # print('frac0', np.dot(pos[3:,:], np.linalg.inv(pos[:3,:])))\n\n # Symmetrize the force\n if self.symmetrize:\n # f[:3, :] is the gradient for force, need to symmetrize it as well\n dr[:3, :] = self.symmetrized_stress(dr[:3, :])\n dr[3:, :] = np.dot(self.struc.frac_coords, dr[:3, :])\n f_frac = np.dot(dr[3:, :], np.linalg.inv(pos[:3, :] - dr[:3, :]))\n f_frac = self.symmetrized_force(f_frac)\n dr[3:, :] += np.dot(f_frac, pos[:3, :] - dr[:3, :])\n\n # pos = pos - dr\n # Symmetrize positions\n # if self.symmetrize:\n # pos = self.symmetrized_coords(pos)\n\n # print(self.force)\n # print(self.v)\n self.struc.lattice_matrix = pos[:3, :] - dr[:3, :]\n self.struc.cart_coords = pos[3:, :] - dr[3:, :]\n self.struc.frac_coords = np.dot(self.struc.cart_coords, np.linalg.inv(self.struc.lattice_matrix))\n self.volume = np.linalg.det(self.struc.lattice_matrix)\n\n # sg = get_symmetry_dataset((pos[:3, :], self.struc.frac_coords, [6]*4), symprec=0.1)['number']\n # print(sg)\n # if self.symmetrize and sg <19:\n # print(sg)\n # print('dr\\n', dr)\n # print('pos\\n', pos)\n # print('frac\\n', self.struc.frac_coords)\n # print('force\\n', f_frac)\n # sys.exit()\n self.update()\n\n def run(self, max_steps=1000):\n self.max_steps = max_steps\n while self.nsteps < max_steps:\n if self.check_convergence():\n break\n self.step()\n self.nsteps += 1\n\n logging.info(\n f\"Finish at Step {self.nsteps:4d} Enthalpy: {self.enthalpy:12.4f} Fmax: {self.fmax:12.4f} Time: {time() - self.time0:6.2f} seconds\"\n )\n\n def check_convergence(self):\n \"\"\"\n There should be two options to terminate the optimization\n before it reaches the maximum number of cycles\n 1, by energy difference compared to the previous step: self.e_tol\n 2, by the residual force: self.f_tol\n Will implement both options later.\n \"\"\"\n converged = False\n if self.fmax < self.f_tol and self.nsteps > 0:\n converged = True\n return converged\n\n def symmetrized_coords(self, coords):\n start_index = 0\n new_coords = []\n for ws in self.struc.wyckoff_sites:\n # Get coordinates associated with WP\n original_coords = coords[start_index : start_index + ws.multiplicity]\n # Re-generate the points from the first generating point\n gen_coord = coords[start_index]\n wp_coords0 = apply_ops(gen_coord, ws.wp.generators_m)\n # Calculate the PBC translation applied to each point\n translations = original_coords - wp_coords0\n frac_translations = np.dot(translations, np.linalg.inv(self.struc.lattice_matrix))\n frac_translations = np.round(frac_translations)\n cart_translations = np.dot(frac_translations, self.struc.lattice_matrix)\n # Subtract translations from original coords\n translated_coords = original_coords - cart_translations\n # Apply inverse WP operations to get generating_points\n inverse_ops = ws.wp.inverse_generators_m\n generating_points = apply_ops_diagonal(translated_coords, inverse_ops)\n # Find the average of the generating points\n average_point = np.sum(generating_points, axis=0) / ws.multiplicity\n # Convert to fractional coordinates\n average_point = np.dot(average_point, np.linalg.inv(self.struc.lattice_matrix))\n # Apply the WP operations to the averaged generating point\n wp_coords = apply_ops(average_point, ws.wp)\n # Convert back to Cartesian coordintes\n wp_coords = np.dot(wp_coords, self.struc.lattice_matrix)\n # Re-apply the cartesian translations\n wp_coords = wp_coords + cart_translations\n new_coords = wp_coords if len(new_coords) == 0 else np.vstack([new_coords, wp_coords])\n start_index += ws.multiplicity\n return new_coords\n\n def symmetrized_force(self, coords):\n start_index = 0\n new_coords = []\n for ws in self.struc.wyckoff_sites:\n # Get coordinates associated with WP\n coords[start_index : start_index + ws.multiplicity]\n # Re-generate the points from the first generating point\n gen_coord = coords[start_index]\n wp_coords0 = apply_ops(gen_coord, ws.wp.generators_m)\n # Apply inverse WP operations to get generating_points\n inverse_ops = ws.wp.inverse_generators_m\n generating_points = apply_ops_diagonal(wp_coords0, inverse_ops)\n # Find the average of the generating points\n average_point = np.sum(generating_points, axis=0) / ws.multiplicity\n # Convert to fractional coordinates\n average_point = np.dot(average_point, np.linalg.inv(self.struc.lattice_matrix))\n # For forces, we do not apply translational WP operations, so we truncate the ops\n matrices = np.array([op.affine_matrix[:3, :3] for op in ws.wp])\n # Apply the truncated WP operations to the averaged generating point\n wp_coords = np.dot(average_point, matrices)\n # Convert back to Cartesian coordintes\n wp_coords = np.dot(wp_coords, self.struc.lattice_matrix)\n new_coords = wp_coords if len(new_coords) == 0 else np.vstack([new_coords, wp_coords])\n start_index += ws.multiplicity\n # if np.sum(np.abs(coords-new_coords))>1e-1:\n # print(coords)\n # print(new_coords)\n # print(coords-new_coords)\n # sys.exit()\n return new_coords\n\n def symmetrized_stress(self, stress):\n # Make the matrix lower-diagonal\n for i, j in [(1, 0), (2, 1), (2, 2)]:\n stress[i][j] = stress[i][j] + stress[j][i]\n stress[j][i] = 0\n # Normalize the matrix\n snm = self.struc.lattice.stress_normalization_matrix\n m2 = np.multiply(stress, snm)\n # Normalize the on-diagonal elements\n indices = self.struc.lattice.stress_indices\n if len(indices) == 2:\n total = 0\n for index in indices:\n total += stress[index]\n value = np.sqrt(total)\n for index in inices:\n m2[index] = value\n elif len(indices) == 3:\n total = 0\n for index in indices:\n total += stress[index]\n value = np.cbrt(total)\n for index in inices:\n m2[index] = value\n return m2\n\n\nif __name__ == \"__main__\":\n from spglib import get_symmetry_dataset\n from pyxtal import pyxtal\n\n for _i in range(10):\n crystal = pyxtal()\n crystal.from_random(3, 11, [\"C\"], [4])\n if crystal.valid:\n crystal1 = deepcopy(crystal)\n test = LJ(epsilon=0.01, sigma=3.40, rcut=8.0)\n struc = (crystal1.lattice_matrix, crystal1.frac_coords, [6] * 4)\n eng, enth, force, stress = test.calc(crystal1)\n sg = get_symmetry_dataset(struc)[\"number\"]\n print(f\"\\nBefore relaxation Space group: {sg:4d} Energy: {eng:12.4} Enthalpy: {enth:12.4}\")\n\n dyn1 = FIRE(crystal1, test, f_tol=1e-5, dt=0.2, maxmove=0.2) # , symmetrize=True)\n dyn1.run(500)\n eng, enth, force, stress = test.calc(crystal1)\n struc = (dyn1.struc.lattice_matrix, dyn1.struc.frac_coords, [6] * 4)\n sg = get_symmetry_dataset(struc, symprec=0.1)[\"number\"]\n print(f\"After relaxation without symm Space group: {sg:4d} Energy: {eng:12.4} Enthalpy: {enth:12.4}\")\n\n dyn1 = FIRE(crystal, test, f_tol=1e-5, dt=0.2, maxmove=0.2, symmetrize=True)\n dyn1.run(500)\n eng, enth, force, stress = test.calc(crystal)\n struc = (dyn1.struc.lattice_matrix, dyn1.struc.frac_coords, [6] * 4)\n sg = get_symmetry_dataset(struc, symprec=0.02)[\"number\"]\n if sg is None:\n sg = 0\n print(f\"After relaxation with symm Space group: {sg:4d} Energy: {eng:12.4} Enthalpy: {enth:12.4}\")\n # dyn1 = FIRE(crystal, test, f_tol=1e-5, dt=0.2, maxmove=0.2)\n # struc = (dyn1.struc.lattice_matrix, dyn1.struc.frac_coords, [6]*4)\n # sg = get_symmetry_dataset(struc, symprec=0.02)['number']\n # print('After relaxation without symm Space group: {:4d} Energy: {:12.4} Enthalpy: {:12.4}'.format(sg, eng, enth))\n # right now, it seems structures goes to either HCP of FCC after relaxation, which is expected for 3D LJ system\n # need to compare with other code to see if the energy is correct\n" }, { "path": "pyxtal/interface/__init__.py", "content": "" }, { "path": "pyxtal/interface/ase_opt.py", "content": "# --- Optional fix for PyTorch weights_only change (harmless if unused) ---\nfrom torch.serialization import add_safe_globals\nadd_safe_globals([slice])\n# ------------------------------------------------------------------------\n\nimport signal\nimport numpy as np\nfrom ase.constraints import FixSymmetry\nfrom ase.filters import UnitCellFilter\nfrom ase.optimize.fire import FIRE\nimport logging\nfrom ase.atoms import Atoms\n\n_cached_mace = None\n_cached_uma = None\n_cached_ani = None\n\ndef get_calculator(calculator):\n \"\"\"\n Return an ASE calculator instance.\n\n Supported strings:\n - 'FAIRChem', 'ANI', 'MACE', 'MACEOFF' if you re-enable those blocks.\n Or you can pass an ASE calculator instance directly.\n \"\"\"\n global _cached_mace, _cached_uma, _cached_ani\n\n if isinstance(calculator, str):\n if calculator == \"UMA\":\n if _cached_uma is None:\n from fairchem.core import pretrained_mlip, FAIRChemCalculator\n predictor = pretrained_mlip.get_predict_unit(\"uma-s-1p1\")\n _cached_uma = FAIRChemCalculator(predictor,\n task_name=\"omc\")\n calc = _cached_uma\n\n elif calculator == \"ANI\":\n if _cached_ani is None:\n import torchani\n _cached_ani = torchani.models.ANI2x().ase()\n calc = _cached_ani\n\n elif calculator == \"MACE\":\n if _cached_mace is None:\n from mace.calculators import mace_mp\n _cached_mace = mace_mp(model=\"small\", dispersion=True)\n calc = _cached_mace\n\n elif calculator == \"MACEOFF\":\n if _cached_mace is None:\n from mace.calculators import mace_off\n _cached_mace = mace_off(model=\"medium\")#, device=\"cpu\")\n calc = _cached_mace\n\n else:\n raise ValueError(f\"Unknown calculator: {calculator}\")\n else:\n # already an ASE calculator instance\n calc = calculator\n\n return calc\n\n\ndef ASE_relax(\n struc,\n calculator=\"MACE\",\n opt_lat=True,\n step=300,\n fmax=0.5,\n logfile=None,\n max_time=15.0,\n label=\"ase\",\n):\n \"\"\"\n ASE optimizer used by pyxtal/DFS.\n\n Args:\n struc: ASE Atoms object or a pyxtal object (with .to_ase()).\n calculator: string ('FAIRChem', 'MACE', 'ANI', 'MACEOFF') or ASE calculator.\n opt_lat (bool): optimize lattice (cell) or not.\n step (int): maximum FIRE steps.\n fmax (float): force convergence criterion (eV/Å).\n logfile (str or None): FIRE log file.\n max_time (float): wall time limit in minutes.\n label (str): label for logging.\n\n Returns:\n ASE Atoms object if successful, otherwise None.\n \"\"\"\n\n def handler(signum, frame):\n raise TimeoutError(\"Optimization timed out\")\n\n logger = logging.getLogger()\n timeout = int(max_time * 60) # seconds\n\n # Start wall-clock timeout\n signal.signal(signal.SIGALRM, handler)\n signal.alarm(timeout)\n\n # Convert to ASE Atoms if needed\n if isinstance(struc, Atoms):\n atoms = struc\n elif hasattr(struc, \"to_ase\"):\n atoms = struc.to_ase(resort=False)\n else:\n raise TypeError(\"ASE_relax expects an ASE Atoms or a pyxtal object with .to_ase().\")\n\n step_init = min([30, int(step / 2)])\n _fmax = 1e5\n\n try:\n atoms.calc = get_calculator(calculator)#; print(\"The current Path:\", os.getcwd())\n atoms.set_constraint(FixSymmetry(atoms))\n\n if opt_lat:\n ecf = UnitCellFilter(atoms)\n dyn = FIRE(ecf, a=0.1, logfile=logfile) if logfile is not None else FIRE(ecf, a=0.1)\n else:\n dyn = FIRE(atoms, a=0.1, logfile=logfile) if logfile is not None else FIRE(atoms, a=0.1)\n\n # First stage\n dyn.run(fmax=fmax, steps=step_init)\n forces = atoms.get_forces()\n _fmax = np.sqrt((forces**2).sum(axis=1).max())\n\n # Second stage (only if not completely insane)\n if _fmax < 1e3 and step > step_init:\n dyn.run(fmax=fmax, steps=step - step_init)\n forces = atoms.get_forces()\n _fmax = np.sqrt((forces**2).sum(axis=1).max())\n if _fmax > 100:\n atoms = None\n else:\n atoms = None\n\n except TimeoutError:\n logger.warning(f\"Warning {label} timed out after {timeout} seconds.\")\n atoms = None\n\n except TypeError:\n logger.warning(f\"Warning {label} spglib error in getting the lattice\")\n atoms = None\n\n finally:\n # Always cancel alarm to avoid affecting later code\n signal.alarm(0)\n\n return atoms\n" }, { "path": "pyxtal/interface/ase_opt2.py", "content": "import torch\n\n# --- Temporary fix for PyTorch 2.6 weights_only change ---\nfrom torch.serialization import add_safe_globals\nadd_safe_globals([slice]) # allow 'slice' to be unpickled\n# ----------------------------------------------------------\n\nfrom ase.io import read, write\nfrom fairchem.core import pretrained_mlip, FAIRChemCalculator\nimport signal\nfrom time import time\nimport numpy as np\nfrom ase.constraints import FixSymmetry\nfrom ase.filters import UnitCellFilter\nfrom ase.optimize.fire import FIRE\nimport logging\nfrom pyxtal.optimize import WFS, DFS, QRS\nfrom pyxtal import pyxtal\nfrom pyxtal.util import get_pmg_dist\nimport os\nfrom mace.calculators import mace_mp\n_cached_mace_mp = None\nfrom mace.calculators import mace_off\n\n\ndef get_calculator(calculator):\n global _cached_mace_mp\n\n if type(calculator) is str:\n if calculator == 'ANI':\n import torchani\n calc = torchani.models.ANI2x().ase()\n\n elif calculator == 'MACE':\n if _cached_mace_mp is None:\n _cached_mace_mp = mace_mp(\n model='small',\n dispersion=True,\n device='cpu'\n )\n calc = _cached_mace_mp\n\n elif calculator == 'MACEOFF':\n calc = mace_off(model='medium', device='cpu')\n \n elif calculator == 'FAIRChem':\n # Initialize FAIRChem\n predictor = pretrained_mlip.get_predict_unit(\"uma-s-1p1\", device=\"cpu\")\n calc = FAIRChemCalculator(predictor, task_name=\"omc\")\n \n else:\n raise ValueError(f\"Unknown calculator: {calculator}\")\n \n else:\n calc = calculator\n\n return calc\n\nclass ASE_optimizer:\n \"\"\"\n This is a ASE optimizer to perform oragnic crystal structure optimization.\n We assume that the geometry has been well optimized by classical FF.\n\n Args:\n struc: pyxtal object\n calculator (str): 'ANI', 'MACE'\n opt_lat (bool): to opt lattice or not\n log_file (str): output file\n \"\"\"\n\n def __init__(self, struc, calculator=\"FAIRChem\", opt_lat=True, logfile=\"ase_log_ebdc_local\"):\n self.structure = struc\n self.calculator = get_calculator(calculator)\n self.opt_lat = opt_lat\n self.stress = None\n self.forces = None\n self.optimized = True\n self.positions = None\n self.cell = None\n self.cputime = 0\n self.logfile = logfile\n\n def run(self, fmax_target=0.01):\n t0 = time()\n s = self.structure.to_ase(resort=False)\n s.set_constraint(FixSymmetry(s))\n s.set_calculator(self.calculator)\n \n obj = UnitCellFilter(s) if self.opt_lat else s\n dyn = FIRE(obj, a=0.01, logfile=self.logfile)\n \n # <-- Key line: no 'steps' argument\n dyn.run(fmax=fmax_target)\n \n if self.opt_lat:\n self.structure.lattice.set_matrix(s.get_cell())\n \n positions = s.get_scaled_positions()\n count = 0\n for _i, site in enumerate(self.structure.mol_sites):\n coords0, _ = site._get_coords_and_species(first=True)\n coords1 = positions[count : count + len(site.molecule.mol)]\n for j, coor in enumerate(coords1):\n diff = coor - coords0[j]\n diff -= np.round(diff)\n abs_diff = np.dot(diff, s.get_cell())\n if abs(np.linalg.norm(abs_diff)) < 2.0:\n coords1[j] = coords0[j] + diff\n else:\n print(coords1[j], coords1[j], np.linalg.norm(abs_diff))\n import sys; sys.exit()\n site.update(coords1, self.structure.lattice)\n count += len(site.molecule.mol) * site.wp.multiplicity\n \n self.structure.optimize_lattice()\n self.structure.energy = s.get_potential_energy()\n self.cell = s.get_cell()\n \n s.set_calculator()\n s.set_constraint()\n self.cputime = time() - t0\n self.optimized = bool(getattr(dyn, \"converged\", False))\n\n\n#(\"/Users/mmukta/Downloads/HOF-EBDC_aka_ZJU-HOF-60.cif\", \"O=C(O)c2cc(C#Cc1cc(C(=O)O)cc(C(=O)O)c1)cc(C(=O)O)c2\")\n#(\"/Users/mmukta/Downloads/HOF-BDDC_aka_ZJU-HOF-62.cif\", \"O=C(O)c2cc(C#CC#Cc1cc(C(=O)O)cc(C(=O)O)c1)cc(C(=O)O)c2\")\n#(\"/Users/mmukta/Downloads/HOF-1a.cif\", \"Nc8nc(N)nc(c7ccc(C(c2ccc(c1nc(N)nc(N)n1)cc2)(c4ccc(c3nc(N)nc(N)n3)cc4)c6ccc(c5nc(N)nc(N)n5)cc6)cc7)n8\")\n\nif __name__ == \"__main__\":\n import os, warnings\n from pyxtal.db import database\n warnings.filterwarnings(\"ignore\")\n\n work_dir = \"tmp\"\n if not os.path.exists(work_dir):\n os.makedirs(work_dir)\n\n #db = database(\"pyxtal/database/test.db\")\n #struc = db.get_pyxtal(\"ACSALA\")\n data = [\n (\"/Users/mmukta/Desktop/Cocrystal/ebdc-local-maceOff1500.cif\", \"O=C(O)c2cc(C#Cc1cc(C(=O)O)cc(C(=O)O)c1)cc(C(=O)O)c2\")\n ]\n\n for d in data:\n cif, smiles = d\n c = pyxtal(molecular=True)\n c.from_seed(cif, molecules=[smiles+'.smi'])\n pmg0 = c.to_pymatgen()\n if c.has_special_site():\n c1 = c.to_subgroup(); print(c1)\n pmg = c1.to_pymatgen()\n if get_pmg_dist(pmg0, pmg) > 0.1:\n print(\"The reference structure is not a valid subgroup.\")\n m = c1.mol_sites[0]\n m.rotate(ax_id=2, angle=180)\n pmg = c1.to_pymatgen()\n print(\"Distance after flip\", get_pmg_dist(pmg0, pmg))\n c = c1\n pmg = c.to_pymatgen()\n else:\n pmg = pmg0\n calc = ASE_optimizer(c)\n print(calc.structure.lattice)\n #calc.run(steps=1500)\n calc.run(fmax_target=0.1)\n print(calc.structure.energy)\n print(calc.structure.lattice)\n '''\n calc.structure.to_file(\"maceOff/ebdc-local.cif\")\n from pymatgen.core import Structure\n # Load CIF\n structure = Structure.from_file(\"maceOff/ebdc-local.cif\")\n # Get density in g/cm³\n print(\"Density:\", structure.density, \"g/cm³\")\n total_molecules = 0\n print(\"Molecular sites and multiplicities:\")\n for i, site in enumerate(c.mol_sites):\n print(f\"Site {i+1}: Wyckoff multiplicity = {site.wp.multiplicity}\")\n total_molecules += site.wp.multiplicity\n\n print(f\"\\nTotal molecules per unit cell: {total_molecules}\")\n '''" }, { "path": "pyxtal/interface/charmm.py", "content": "import contextlib\nimport os\nimport shutil\nimport subprocess\nimport numpy as np\n\nclass CHARMM:\n \"\"\"\n A calculator to perform oragnic crystal structure optimization in CHARMM.\n\n Args:\n struc: pyxtal.molecular_crystal.molecular_crystal object\n label (str): label for this calculation\n algo (str): \"abnr\"\n lat_mut (bool): mutate lattice or not\n rotate (bool): rotate lattice or not\n prefix (str): prefix of this calculation\n atom_info (dict): atom_labels\n folder (str): folder name\n opt (str): 'conv', 'conp', 'single'\n steps (int): optimization steps\n exe (str): charmm executable\n input (str): charmm input file\n output (str): charmm output file\n dump (str): charmm dump structure\n \"\"\"\n\n def __init__(\n self,\n struc,\n label=\"_\",\n algo=\"abnr\",\n lat_mut=False,\n rotate=False,\n prefix=\"pyxtal\",\n atom_info=None,\n folder=\".\",\n opt=\"conp\",\n steps=None,\n exe=\"charmm\",\n input=\"charmm.in\",\n output=\"charmm.log\",\n dump=\"result.pdb\",\n debug=False,\n timeout=25.0,\n ):\n self.errorE = 1e+5\n self.error = False\n if steps is None:\n steps = [2000, 1000]\n self.debug = debug\n self.timeout = timeout\n # check charmm Executable\n if shutil.which(exe) is None:\n raise BaseException(f\"{exe} is not installed\")\n else:\n self.exe = exe\n\n self.atom_info = atom_info\n\n # Optimization setting\n self.opt = opt\n self.optlat = False\n self.algo = algo\n if type(steps) is list:\n self.steps = steps\n elif type(steps) is int:\n self.steps = [2000, steps]\n self.opt = opt\n\n # Files IO\n self.folder = folder\n self.prefix = prefix\n self.label = label\n self.rtf = self.prefix + \".rtf\"\n self.prm = self.prefix + \".prm\"\n self.psf = self.label + self.prefix + \".psf\"\n self.crd = self.label + self.prefix + \".crd\"\n self.input = self.label + input\n self.output = self.label + output\n self.dump = self.label.lower() + dump # charmm only output lower\n\n # For parsing the output\n self.positions = None\n self.forces = None\n self.optimized = False\n self.cell = None\n self.cputime = 0.0\n\n # Structure Manipulation\n struc.resort()\n self.structure = struc\n try:\n self.structure.optimize_lattice()\n except:\n print(\"bug in Lattice\")\n print(self.structure)\n print(self.structure.lattice)\n print(self.structure.lattice.matrix)\n self.error = True\n # print(\"\\nbeginining lattice: \", struc.lattice)\n\n self.lat_mut = lat_mut\n self.rotate = rotate\n\n def run(self, clean=True):\n \"\"\"\n Only run calc if it makes sense\n \"\"\"\n if not self.error:\n os.makedirs(self.folder, exist_ok=True)\n cwd = os.getcwd()\n os.chdir(self.folder)\n\n self.write() # ; print(\"write\", time()-t0)\n res = self.execute() # ; print(\"exe\", time()-t0)\n if res is not None:\n self.read() # ; print(\"read\", self.structure.energy)\n else:\n self.structure.energy = self.errorE\n self.error = True\n if clean: self.clean()\n\n os.chdir(cwd)\n\n def execute(self):\n cmd = self.exe + \" < \" + self.input + \" > \" + self.output\n # os.system(cmd)\n with open(os.devnull, 'w') as devnull:\n try:\n # Run the external command with a timeout\n result = subprocess.run(\n cmd, shell=True, timeout=self.timeout, check=True, stderr=devnull)\n return result.returncode # Or handle the result as needed\n except subprocess.CalledProcessError as e:\n print(f\"Cmd '{cmd}' failed. Trying another cutoff.....\")\n try:\n # try again with a different cutoff\n self.write(cutoff=16.0)\n result = subprocess.run(\n cmd, shell=True, timeout=self.timeout, check=True, stderr=devnull)\n return result.returncode # Or handle the result as needed\n except subprocess.CalledProcessError as e:\n print(f\"Cmd '{cmd}' failed with return code {e.returncode}.\")\n os.system(f'cp {self.input} err-{self.input}')\n return None\n except subprocess.TimeoutExpired:\n print(f\"External cmd {cmd} timed out.\")\n return None\n except subprocess.TimeoutExpired:\n print(f\"External cmd {cmd} timed out.\")\n return None\n\n def clean(self):\n os.remove(self.input)\n os.remove(self.output)\n os.remove(self.crd) if os.path.exists(self.crd) else None\n os.remove(self.psf) if os.path.exists(self.psf) else None\n os.remove(self.dump) if os.path.exists(self.dump) else None\n\n def write(self, cutoff=14.0):\n \"\"\"\n setup the necessary files for charmm calculation\n \"\"\"\n lat = self.structure.lattice\n if self.lat_mut: lat = lat.mutate()\n\n a, b, c, alpha, beta, gamma = lat.get_para(degree=True)\n ltype = lat.ltype\n if ltype in ['trigonal', 'Trigonal']:\n ltype = 'hexagonal'\n\n fft = self.FFTGrid(np.array([a, b, c]))\n\n with open(self.input, \"w\") as f:\n # General input\n f.write(\"! Automated Charmm calculation\\n\\n\")\n f.write(\"bomlev -1\\n\")\n f.write(\"! top and par\\n\")\n f.write(f\"read rtf card name {self.rtf:s}\\n\")\n f.write(f\"read para card name {self.prm:s}\\n\")\n f.write(\"Read sequence card\\n\")\n f.write(f\"{len(self.structure.mol_sites):5d}\\n\")\n atom_count = []\n for site in self.structure.mol_sites:\n atom_count.append(len(site.molecule.mol))\n if self.atom_info is None:\n f.write(f\"U0{site.type:d} \")\n else:\n f.write(\"{:s} \".format(\n self.atom_info[\"resName\"][site.type]))\n\n f.write(\"\\ngenerate main first none last none setup warn\\n\")\n f.write(\"Read coor card free\\n\")\n f.write(\"* Residues coordinate\\n*\\n\")\n f.write(f\"{sum(atom_count):5d}\\n\")\n for i, site in enumerate(self.structure.mol_sites):\n res_name = f\"U0{site.type:d}\" if self.atom_info is None else self.atom_info[\n \"resName\"][site.type]\n\n # reset lattice if needed (to move out later)\n site.lattice = lat\n\n # Rotate if needed\n if self.rotate:\n site.perturbate(lat.matrix, trans=0.5, rot=\"random\")\n coords, species = site._get_coords_and_species(first=True)\n if i == 0:\n count = 0\n else:\n count += atom_count[i - 1]\n\n for j, coord in enumerate(coords):\n if self.atom_info is None:\n label = f\"{species[j]:s}{j + 1:d}\"\n else:\n label = self.atom_info[\"label\"][site.type][j]\n f.write(\n \"{:5d}{:5d}{:>4s} {:<4s}{:10.5f}{:10.5f}{:10.5f}\\n\".format(\n j + 1 + count, i + 1, res_name, label, *coord\n )\n )\n # quickly check if\n if abs(coord).max() > 500.0:\n print(\"Unexpected large input coordinates, stop and debug\")\n print(self.structure)\n self.structure.to_file('bug.cif')\n import sys; sys.exit()\n\n f.write(f\"write psf card name {self.psf:s}\\n\")\n f.write(f\"write coor crd card name {self.crd:s}\\n\")\n f.write(f\"read psf card name {self.psf:s}\\n\")\n f.write(f\"read coor card name {self.crd:s}\\n\")\n\n # Structure info\n f.write(\"\\n! crystal parameters\\n\")\n f.write(f\"set shape {ltype:s}\\n\")\n f.write(f\"set a {a:12.6f}\\n\")\n f.write(f\"set b {b:12.6f}\\n\")\n f.write(f\"set c {c:12.6f}\\n\")\n f.write(f\"set alpha {alpha:12.6f}\\n\")\n f.write(f\"set beta {beta:12.6f}\\n\")\n f.write(f\"set gamma {gamma:12.6f}\\n\")\n f.write(\"coor conv FRAC SYMM @a @b @c @alpha @beta @gamma\\n\")\n f.write(\"coor stat select all end\\n\")\n f.write(\"Crystal Define @shape @a @b @c @alpha @beta @gamma\\n\")\n site0 = self.structure.mol_sites[0]\n f.write(\n f\"Crystal Build cutoff {cutoff} noperations {len(site0.wp.ops) - 1:d}\\n\")\n for i, op in enumerate(site0.wp.ops):\n if i > 0:\n f.write(f\"({op.as_xyz_str():s})\\n\")\n\n f.write(\n \"image byres xcen ?xave ycen ?yave zcen ?zave sele resn LIG end\\n\")\n f.write(\"set 7 fswitch\\n\")\n f.write(\"set 8 atom\\n\")\n f.write(\"set 9 vatom\\n\")\n f.write(\"Update inbfrq 10 imgfrq 10 ihbfrq 10 -\\n\")\n f.write(\n \"ewald pmewald lrc fftx {:d} ffty {:d} fftz {:d} -\\n\".format(*fft))\n f.write(\"kappa 0.34 order 6 CTOFNB 12.0 CUTNB 14.0 QCOR 1.0 -\\n\")\n f.write(\"@7 @8 @9 vfswitch !\\n\")\n f.write(f\"mini {self.algo:s} nstep {self.steps[0]:d}\\n\")\n if len(self.steps) > 1:\n f.write(\n f\"mini {self.algo:s} lattice nstep {self.steps[1]:d} \\n\")\n if len(self.steps) > 2:\n f.write(f\"mini {self.algo:s} nstep {self.steps[2]:d}\\n\")\n\n f.write(\n \"coor conv SYMM FRAC ?xtla ?xtlb ?xtlc ?xtlalpha ?xtlbeta ?xtlgamma\\n\") #\n f.write(f\"\\nwrite coor pdb name {self.dump:s}\\n\") #\n f.write(\"*CELL : ?xtla ?xtlb ?xtlc ?xtlalpha ?xtlbeta ?xtlgamma\\n\") #\n f.write(f\"*Z = {len(site0.wp):d}\\n\")\n f.write(\"*Energy(kcal): ?ener\\n\")\n f.write(\"stop\\n\")\n # print(\"STOP\"); import sys; sys.exit()\n\n def read(self):\n with open(self.output) as f:\n lines = f.readlines()\n self.version = lines[2]\n if lines[-1].find(\"CPU TIME\") != -1:\n self.optimized = True\n self.cputime = float(lines[-2].split()[-2])\n for line in lines:\n if line.find(\"MINI> \") != -1:\n with contextlib.suppress(Exception):\n self.structure.iter = int(line.split()[1])\n # raise RuntimeError(\"Something is wrong in the charmm output\")\n elif line.find(\"ABNORMAL TERMINATION\") != -1:\n self.optimized = False\n break\n\n if self.optimized:\n with open(self.dump) as f:\n lines = f.readlines()\n positions = []\n for line in lines:\n if line.find(\"REMARK ENERGY\") != -1:\n tmp = line.split(\":\")\n self.structure.energy = float(tmp[-1])\n elif line.find(\"REMARK Z\") != -1:\n tmp = line.split(\":\")[-1].split()\n Z = int(tmp[-1])\n elif line.find(\"REMARK CELL\") != -1:\n tmp = line.split(\":\")[-1].split()\n tmp = [float(x) for x in tmp]\n self.structure.lattice.set_para(tmp)\n elif line.find(\"ATOM\") != -1:\n try:\n xyz = line.split()[5:8]\n XYZ = [float(x) for x in xyz]\n positions.append(XYZ)\n except:\n # print(\"Warning: BAD charmm output: \" + line)\n pass\n positions = np.array(positions)\n self.structure.energy *= Z\n\n count = 0\n # if True:\n try:\n for _i, site in enumerate(self.structure.mol_sites):\n coords = positions[count: count + len(site.molecule.mol)]\n site.update(coords, self.structure.lattice)\n count += len(site.molecule.mol)\n # print(\"after relax:\", self.structure.lattice, \"iter: \", self.structure.iter)\n self.structure.optimize_lattice()\n self.structure.update_wyckoffs()\n # print(\"after latopt:\", self.structure.lattice, self.structure.check_distance()); import sys; sys.exit()\n except:\n # molecular connectivity or lattice optimization\n self.structure.energy = self.errorE\n self.error = True\n if self.debug:\n print(\"Cannot retrieve Structure after optimization\")\n print(\"lattice\", self.structure.lattice)\n self.structure.to_file(\"1.cif\")\n #print(\"Check 1.cif in \", os.getcwd())\n #pairs = self.structure.check_short_distances()\n #if len(pairs) > 0:\n # print(self.structure.to_file())\n # print(\"short distance pair\", pairs)\n\n else:\n self.structure.energy = self.errorE\n self.error = True\n if self.debug:\n print(self.structure); import sys; sys.exit()\n\n def FFTGrid(self, ABC):\n \"\"\"\n determine the grid used for\n \"\"\"\n\n grid = np.array(\n [\n 1,\n 2,\n 3,\n 4,\n 5,\n 6,\n 8,\n 9,\n 10,\n 12,\n 15,\n 16,\n 18,\n 20,\n 24,\n 25,\n 27,\n 30,\n 32,\n 36,\n 40,\n #45,\n 48,\n 50,\n 54,\n 60,\n 72,\n #75,\n 80,\n #81,\n 90,\n 96,\n 100,\n 108,\n 120,\n #125,\n #135,\n 144,\n 150,\n 160,\n 162,\n 180,\n 200,\n 216,\n #225,\n 240,\n #243,\n 250,\n 270,\n 288,\n 300,\n 324,\n 360,\n #375,\n 400,\n ]\n )\n fftxyz = [0, 0, 0]\n for i, l in enumerate(ABC):\n tmp = grid[grid > l]\n fftxyz[i] = max([32, tmp[0]]) # minimum is 32\n return fftxyz\n\n\ndef check_prm(path):\n \"\"\"\n Todo: move it to charmm interface\n Sometimes there are something wrong with prm file (RUBGIH),\n \"\"\"\n with open(path) as f:\n lines = f.readlines()\n pairs = []\n triplets = []\n imphis = []\n ids = []\n do_angle = False\n do_bond = False\n do_imphi = False\n for i, l in enumerate(lines):\n tmp = l.split()\n if l.find(\"ANGLE\") == 0:\n do_angle = True\n elif l.find(\"BOND\") == 0:\n do_bond = True\n elif l.find(\"DIHEDRAL\") == 0:\n pass\n elif l.find(\"IMPHI\") == 0:\n do_imphi = True\n elif do_bond:\n if len(tmp) > 0:\n pair1 = tmp[0] + \" \" + tmp[1]\n pair2 = tmp[1] + \" \" + tmp[0]\n if (pair1 in pairs) or (pair2 in pairs):\n ids.append(i)\n print(\"Duplicate bonds: \", l[:-2])\n else:\n pairs.append(pair1)\n else:\n do_bond = False\n elif do_angle:\n if len(tmp) > 0:\n pair1 = tmp[0] + \" \" + tmp[1] + \" \" + tmp[2]\n pair2 = tmp[2] + \" \" + tmp[1] + \" \" + tmp[0]\n if (pair1 in triplets) or (pair2 in triplets):\n ids.append(i)\n print(\"Duplicate angles: \", l[:-2])\n else:\n triplets.append(pair1)\n else:\n do_angle = False\n # elif do_dihedral:\n # if len(tmp) > 0:\n # pair1 = tmp[0]+ ' ' + tmp[1] + ' ' + tmp[2] + ' ' +tmp[3] + ' ' + tmp[5]\n # pair2 = tmp[3]+ ' ' + tmp[1] + ' ' + tmp[2] + ' ' +tmp[0] + ' ' + tmp[5]\n # if (pair1 in quads) or (pair2 in quads):\n # ids.append(i)\n # #print(pair1)\n # #print(pair2)\n # #print(quads)\n # print('Duplicate dihedral angles: ', l[:-2])\n # #import sys\n # #sys.exit()\n # else:\n # quads.append(pair1)\n # else:\n # do_dihedral = False\n elif do_imphi:\n if len(tmp) > 0:\n pair1 = tmp[0] + \" \" + tmp[1] + \" \" + tmp[2] + \" \" + tmp[3]\n # pair2 = tmp[0] + ' ' + tmp[1] + ' ' + tmp[2] + ' ' +tmp[0]\n if pair1 in imphis: # or (pair2 in imphis):\n ids.append(i)\n print(\"Duplicate imphi angles: \", l[:-2])\n else:\n imphis.append(pair1)\n else:\n do_imphi = False\n break\n\n lines = [lines[i] for i in range(len(lines)) if i not in ids]\n with open(path, \"w\") as f:\n f.writelines(lines)\n\n\nclass RTF:\n \"\"\"\n Parse, convert, merge the RTF files for CHARMM\n \"\"\"\n\n def __init__(self, input):\n self.keywords = [\n \"MASS\",\n \"RESI\",\n \"CHARGE\",\n \"ATOM\",\n \"BOND\",\n \"ANGL\",\n \"DIHE\",\n \"IMPH\",\n ]\n if type(input) == str:\n print(\"Converting RTF from the file\", input)\n f = open(input)\n rtf = f.read().split(\"\\n\")\n f.close()\n else:\n rtf = input\n\n self.parse(rtf)\n\n def parse(self, rtf):\n \"\"\"\n parse rtf list to get the dictionary\n \"\"\"\n mass = []\n self.residues = []\n\n do_resi = False\n residue = None\n for l in rtf:\n tmp = l.split()\n if l.find(\"MASS\") == 0:\n mass.append(l)\n do_resi = False\n elif l.find(\"RESI\") == 0:\n if residue is not None:\n self.residues.append(residue)\n do_resi = True\n residue = {\n \"NAME\": tmp[1],\n \"CHARGE\": float(tmp[2]),\n \"ATOM\": [],\n \"BOND\": [],\n \"ANGL\": [],\n \"DIHE\": [],\n \"IMPH\": [],\n }\n\n if do_resi:\n if l.find(\"ATOM\") == 0: # len(tmp) > 0:\n residue[\"ATOM\"].append(l)\n elif l.find(\"BOND\") == 0: # len(tmp) > 0:\n residue[\"BOND\"].append(l)\n elif l.find(\"ANGL\") == 0: # len(tmp) > 0:\n residue[\"ANGL\"].append(l)\n elif l.find(\"DIHE\") == 0: # len(tmp) > 0:\n residue[\"DIHE\"].append(l)\n elif l.find(\"IMPH\") == 0: # len(tmp) > 0:\n residue[\"IMPH\"].append(l)\n self.parse_mass(mass)\n self.residues.append(residue)\n\n def to_string(self):\n \"\"\"\n convert the RTF object to string\n \"\"\"\n\n strs = \"* Topology File.\\n\"\n strs += \"*\\n 99 1\\n\"\n for l, m in zip(self.labels, self.mass):\n strs += f\"MASS -1 {l:4s} {m:12.6f}\\n\"\n\n for res in self.residues:\n # print(res)\n strs += \"\\nRESI {:3s} {:5.3f}\\n\".format(res[\"NAME\"], res[\"CHARGE\"])\n strs += \"GROUP\\n\"\n for a in res[\"ATOM\"]: strs += f\"{a:s}\\n\"\n strs += \"\\n\"\n for b in res[\"BOND\"]: strs += f\"{b:s}\\n\"\n strs += \"\\n\"\n for a in res[\"ANGL\"]: strs += f\"{a:s}\\n\"\n strs += \"\\n\"\n for d in res[\"DIHE\"]: strs += f\"{d:s}\\n\"\n strs += \"\\n\"\n for i in res[\"IMPH\"]: strs += f\"{i:s}\\n\"\n\n return strs\n\n def to_file(self, filename=\"test.rtf\"):\n \"\"\"\n Write the PRM file\n \"\"\"\n\n f = open(filename, \"w\")\n f.writelines(self.to_string())\n f.close()\n\n def parse_mass(self, mass):\n self.labels = []\n self.mass = []\n for a in mass:\n tmp = a.split()\n self.labels.append(tmp[2])\n self.mass.append(float(tmp[3]))\n\n def merge(self, rtf1=None, single=None):\n \"\"\"\n merge two RTFs into one\n \"\"\"\n\n if rtf1 is not None:\n for l, m in zip(rtf1.labels, rtf1.mass):\n if l not in self.labels:\n self.labels.append(l)\n self.mass.append(m)\n\n self.residues += rtf1.residues\n for i, res in enumerate(self.residues):\n residue = {\n \"NAME\": str(i) + res[\"NAME\"][:2],\n \"CHARGE\": res[\"CHARGE\"],\n \"ATOM\": [],\n \"BOND\": [],\n \"ANGL\": [],\n \"DIHE\": [],\n \"IMPH\": [],\n }\n for a in res[\"ATOM\"]:\n tmp = a.split()\n a1 = str(i) + tmp[1]\n a = f\"ATOM {a1:6s} {tmp[2]:2s}{float(tmp[3]):12.6f}\"\n residue[\"ATOM\"].append(a)\n for a in res[\"BOND\"]:\n tmp = a.split(\"!\")\n tmp1 = tmp[0].split()\n a1, a2 = str(i) + tmp1[1], str(i) + tmp1[2]\n a = f\"BOND {a1:6s} {a2:6s}\"\n if len(tmp) > 1:\n a += f\"!{tmp[-1]:12s}\"\n residue[\"BOND\"].append(a)\n for a in res[\"ANGL\"]:\n tmp = a.split(\"!\")\n tmp1 = tmp[0].split()\n a1, a2, a3 = str(\n i) + tmp1[1], str(i) + tmp1[2], str(i) + tmp1[3]\n a = f\"ANGL {a1:6s} {a2:6s} {a3:6s} \"\n if len(tmp) > 1:\n a += f\"!{tmp[-1]:12s}\"\n residue[\"ANGL\"].append(a)\n for a in res[\"DIHE\"]:\n tmp = a.split(\"!\")\n tmp1 = tmp[0].split()\n a1, a2, a3, a4 = (\n str(i) + tmp1[1],\n str(i) + tmp1[2],\n str(i) + tmp1[3],\n str(i) + tmp1[4],\n )\n a = f\"DIHE {a1:6s} {a2:6s} {a3:6s} {a4:6s} \"\n if len(tmp) > 1:\n a += f\"!{tmp[-1]:12s}\"\n residue[\"DIHE\"].append(a)\n for a in res[\"IMPH\"]:\n tmp = a.split(\"!\")\n tmp1 = tmp[0].split()\n a1, a2, a3, a4 = (\n str(i) + tmp1[1],\n str(i) + tmp1[2],\n str(i) + tmp1[3],\n str(i) + tmp1[4],\n )\n a = f\"IMPH {a1:6s} {a2:6s} {a3:6s} {a4:6s}\"\n if len(tmp) > 1:\n a += f\"!{tmp[-1]:12s}\"\n residue[\"IMPH\"].append(a)\n self.residues[i] = residue\n\n elif single is not None:\n count = str(len(self.residues))\n l = single[\"label\"]\n self.labels.append(l)\n self.mass.append(single[\"mass\"])\n self.residues += [\n {\n \"NAME\": single[\"name\"],\n \"CHARGE\": single[\"charge\"],\n \"ATOM\": [\"ATOM {:6s} {:2s}{:12.6f}\".format(count + l, l, float(single[\"charge\"]))],\n \"BOND\": [],\n \"ANGL\": [],\n \"DIHE\": [],\n \"IMPH\": [],\n }\n ]\n\n\nclass PRM:\n \"\"\"\n Parse, convert and merge PRM files for CHARMM\n \"\"\"\n\n def __init__(self, input):\n self.keywords = [\"BOND\", \"ANGLE\", \"DIHEDRAL\", \"IMPHI\", \"NONBOND\"]\n if type(input) == str:\n print(\"Converting PRM from the file\", input)\n f = open(input)\n prm = f.read().split(\"\\n\")\n f.close()\n else:\n prm = input\n\n self.dict = self.parse(prm)\n\n def parse(self, prm):\n \"\"\"\n parse prm list to get the dictionary\n \"\"\"\n dicts = {}\n for key in self.keywords:\n dicts[key] = []\n\n do_bond = False\n do_angle = False\n do_dihedral = False\n do_imphi = False\n do_nonbond = False\n\n for l in prm:\n tmp = l.split()\n if l.find(\"ANGLE\") == 0:\n do_angle = True\n elif l.find(\"BOND\") == 0:\n do_bond = True\n elif l.find(\"DIHEDRAL\") == 0:\n do_dihedral = True\n elif l.find(\"IMPHI\") == 0:\n do_imphi = True\n elif l.find(\"NONBOND\") == 0:\n do_nonbond = True\n\n elif do_bond:\n if len(tmp) > 0:\n dicts[\"BOND\"].append(l)\n else:\n do_bond = False\n\n elif do_angle:\n if len(tmp) > 0:\n dicts[\"ANGLE\"].append(l)\n else:\n do_angle = False\n\n elif do_dihedral:\n if len(tmp) > 0:\n dicts[\"DIHEDRAL\"].append(l)\n else:\n do_dihedral = False\n\n elif do_imphi:\n if len(tmp) > 0:\n dicts[\"IMPHI\"].append(l)\n else:\n do_imphi = False\n\n elif do_nonbond:\n if len(tmp) > 0:\n if len(tmp) == 7 and tmp[0] != \"!\":\n dicts[\"NONBOND\"].append(l)\n else:\n do_nonbond = False\n\n return dicts\n\n def to_string(self):\n \"\"\"\n convert the PRM object to string\n \"\"\"\n\n strs = \"* Force Field Parameter File.\\n\"\n strs += \"*\"\n for key in self.keywords:\n if key == \"NONBOND\":\n strs += \"\\n\\nNONBONDED NBXMOD 5 GROUP SWITCH CDIEL - \\n\"\n strs += \"CUTNB 14.0 CTOFNB 12.0 CTONNB 10.0 EPS 1.0 E14FAC 0.83333333 WMIN 1.4\\n\"\n strs += \"! Emin Rmin/2 Emin/2 Rmin (for 1-4's)\\n\"\n strs += \"! (kcal/mol) (A)\\n\"\n else:\n strs += f\"\\n\\n{key:s}\\n\"\n for l in self.dict[key]:\n strs += f\"{l:s}\\n\"\n\n return strs\n\n def to_file(self, filename=\"test.prm\"):\n \"\"\"\n Write the PRM file\n \"\"\"\n\n f = open(filename, \"w\")\n f.writelines(self.to_string())\n f.close()\n\n def merge(self, prm1=None, single=None):\n \"\"\"\n merge PRM into one\n \"\"\"\n if prm1 is not None:\n for key in self.keywords:\n for data in prm1.dict[key]:\n if data not in self.dict[key]:\n self.dict[key].append(data)\n elif single is not None:\n self.dict[\"NONBOND\"] += [single[\"nonbond\"]]\n # add the nonbonded parameters\n\n\nif __name__ == \"__main__\":\n from pyxtal.db import database\n\n w_dir = \"tmp\"\n if not os.path.exists(w_dir):\n os.makedirs(w_dir)\n\n db = database(\"benchmarks/test.db\")\n row = db.get_row(\"ACSALA\")\n struc = db.get_pyxtal(\"ACSALA\")\n c_info = row.data[\"charmm_info\"]\n prm = open(w_dir + \"/pyxtal.prm\", \"w\")\n prm.write(c_info[\"prm\"])\n prm.close()\n rtf = open(w_dir + \"/pyxtal.rtf\", \"w\")\n rtf.write(c_info[\"rtf\"])\n rtf.close()\n\n calc = CHARMM(struc, atom_info=c_info, folder=w_dir)\n print(calc.structure.lattice)\n calc.run(clean=False)\n print(calc.structure.energy)\n print(calc.structure.lattice)\n" }, { "path": "pyxtal/interface/dftb.py", "content": "import os\nimport re\n\nimport numpy as np\nfrom ase.calculators.calculator import (\n FileIOCalculator,\n kpts2ndarray,\n kpts2sizeandoffsets,\n)\nfrom ase.constraints import UnitCellFilter, FixSymmetry\nfrom ase.io import read\nfrom ase.optimize.fire import FIRE\nfrom ase.units import Bohr, Hartree\n\nfrom pyxtal.util import Kgrid\n\n\ndef make_Hamiltonian(\n skf_dir,\n atom_types,\n disp,\n kpts,\n scc_error=1e-06,\n scc_iter=500,\n write_band=False,\n use_omp=False,\n):\n \"\"\"\n Generate the DFTB Hamiltonian for DFTB+\n \"\"\"\n if disp == \"D3\": # from dftb manual\n dispersion = \"\"\"DftD3{\n Damping = BeckeJohnson{\n a1 = 0.5719\n a2 = 3.6017\n }\n s6 = 1.0\n s8 = 0.5883\n }\n \"\"\"\n\n elif disp == \"D30\": # zero dampling\n dispersion = \"\"\"DftD3{\n Damping = ZeroDamping{\n sr6 = 0.746\n alpah6 = 4.191\n }\n s6 = 1.0\n s8 = 3.209\n }\n \"\"\"\n\n elif disp == \"D4\":\n dispersion = \"\"\"DftD4{\n s6 = 1\n s8 = 0.6635015\n s9 = 1\n a1 = 0.5523240\n a2 = 4.3537076\n }\n \"\"\"\n\n elif disp == \"MBD\": # 1.0 from J. Phys. Chem. Lett. 2018, 9, 399−405\n dispersion = \"MBD{\\n\\tKGrid = \" + str(kpts)[1:-1] + \"\\n\\tBeta = 1.0}\\n\"\n\n elif disp == \"TS\": # 1.05 from J. Phys. Chem. Lett. 2018, 9, 399−405\n dispersion = \"\"\"TS{\n Damping = 20.0\n RangeSeparation = 1.0\n }\n \"\"\"\n\n elif disp == \"LJ\":\n dispersion = \"LennardJones{Parameters = UFFParameters{}}\"\n else:\n dispersion = None\n\n kwargs = {\n \"Hamiltonian_SCC\": \"yes\",\n \"Hamiltonian_SCCTolerance\": scc_error, # 1e-06,\n \"Hamiltonian_MaxSCCIterations\": scc_iter, # 1000,\n #'Hamiltonian_Mixer': 'DIIS{}', #Default is Broyden\n #'Hamiltonian_Dispersion': dispersion,\n \"slako_dir\": skf_dir,\n \"Analysis_\": \"\",\n \"Analysis_WriteBandOut\": \"No\",\n \"Analysis_MullikenAnalysis\": \"No\",\n \"Analysis_CalculateForces\": \"Yes\",\n \"Analysis_PrintForces\": \"Yes\",\n }\n if write_band:\n kwargs[\"Analysis_WriteBandOut\"] = \"Yes\"\n if use_omp:\n kwargs[\"Parallel_\"] = \"\"\n kwargs[\"Parallel_UseOmpThreads\"] = \"Yes\"\n if dispersion is not None:\n kwargs[\"Hamiltonian_Dispersion\"] = dispersion\n\n if skf_dir.find(\"3ob\") > 0:\n calc_type = \"3ob\"\n elif skf_dir.find(\"mio\") > 0:\n calc_type = \"mio\"\n elif skf_dir.find(\"pbc\") > 0:\n calc_type = \"pbc\"\n elif skf_dir.find(\"matsci\") > 0:\n calc_type = \"matsci\"\n\n # https://dftb.org/parameters/download/3ob/3ob-3-1-cc\n if calc_type == \"3ob\":\n kwargs[\"Hamiltonian_ThirdOrderFull\"] = \"Yes\"\n kwargs[\"Hamiltonian_HCorrection\"] = \"Damping {\\n\\tExponent = 4.00\\n\\t}\"\n HD = {\n \"Br\": -0.0573,\n \"C\": -0.1492,\n \"N\": -0.1535,\n \"Ca\": -0.0340,\n \"Na\": -0.0454,\n \"Cl\": -0.0697,\n \"Zn\": -0.03,\n \"O\": -0.1575,\n \"F\": -0.1623,\n \"P\": -0.14,\n \"H\": -0.1857,\n \"S\": -0.11,\n \"I\": -0.0433,\n \"K\": -0.0339,\n }\n strs = \"{\"\n for ele in atom_types:\n if ele == \"H\":\n kwargs[\"Hamiltonian_MaxAngularMomentum_H\"] = \"s\"\n elif ele in [\"Mg\", \"C\", \"N\", \"Ca\", \"Na\", \"O\", \"F\", \"K\"]:\n kwargs[\"Hamiltonian_MaxAngularMomentum_\" + ele] = \"p\"\n elif ele in [\"Br\", \"Cl\", \"P\", \"S\", \"I\", \"Zn\"]:\n kwargs[\"Hamiltonian_MaxAngularMomentum_\" + ele] = \"d\"\n else:\n raise RuntimeError(\"3-ob-1 doesnot support\", ele)\n strs += \"\\n\\t\" + ele + \" = \" + str(HD[ele])\n strs += \"\\n\\t}\"\n kwargs[\"Hamiltonian_HubbardDerivs\"] = strs\n elif calc_type == \"pbc\":\n # https://dftb.org/parameters/download/pbc/pbc-0-3-cc\n for ele in atom_types:\n if ele == \"H\":\n kwargs[\"Hamiltonian_MaxAngularMomentum_H\"] = \"s\"\n elif ele in [\"C\", \"O\", \"N\", \"F\"]:\n kwargs[\"Hamiltonian_MaxAngularMomentum_\" + ele] = \"p\"\n elif ele in [\"Si\", \"Fe\"]:\n kwargs[\"Hamiltonian_MaxAngularMomentum_\" + ele] = \"d\"\n else:\n raise RuntimeError(\"pbc-0-3 doesnot support\", ele)\n elif calc_type in [\"matsci\", \"mio\"]:\n # https://dftb.org/parameters/download/pbc/pbc-0-3-cc\n for ele in atom_types:\n if ele == \"H\":\n kwargs[\"Hamiltonian_MaxAngularMomentum_H\"] = \"s\"\n elif ele in [\"B\", \"O\", \"C\", \"N\"]:\n kwargs[\"Hamiltonian_MaxAngularMomentum_\" + ele] = \"p\"\n elif ele in [\"Si\"]:\n kwargs[\"Hamiltonian_MaxAngularMomentum_\" + ele] = \"d\"\n else:\n raise RuntimeError(calc_type, \"doesnot support\", ele)\n\n # DFTB2\n\n # pbc-0-3\n # matsci\n # ob2\n # pbc\n # print(calc_type, kwargs)\n return kwargs\n\n\ndef DFTB_relax(\n struc,\n skf_dir,\n opt_cell=False,\n step=500,\n fmax=0.1,\n kresol=0.10,\n folder=\"tmp\",\n disp=\"D3\",\n mask=None,\n symmetrize=True,\n logfile=None,\n scc_error=1e-6,\n scc_iter=500,\n use_omp=False,\n):\n \"\"\"\n DFTB optimizer based on ASE\n\n Args:\n struc: ase atoms object\n mode: [`single`, `relax`, `vc_relax`] (str)\n step: optimization steps (int)\n mask: apply constraints on strain\n \"\"\"\n if not os.path.exists(folder):\n os.makedirs(folder)\n cwd = os.getcwd()\n os.chdir(folder)\n if type(kresol) != list:\n kpts = Kgrid(struc, kresol)\n atom_types = set(struc.get_chemical_symbols())\n kwargs = make_Hamiltonian(skf_dir, atom_types, disp, kpts, scc_error=scc_error, use_omp=use_omp)\n\n calc = Dftb(\n label=\"test\",\n atoms=struc,\n kpts=kpts,\n **kwargs,\n )\n struc.set_calculator(calc)\n\n # impose symmetry\n if symmetrize:\n struc.set_constraint(FixSymmetry(struc))\n\n # impose cell constraints\n if opt_cell:\n ecf = UnitCellFilter(struc, mask=mask)\n dyn = FIRE(ecf, logfile=logfile)\n else:\n dyn = FIRE(struc, logfile=logfile)\n\n try:\n dyn.run(fmax=fmax, steps=step)\n os.remove(\"dftb_pin.hsd\")\n os.remove(\"geo_end.gen\")\n os.remove(\"charges.bin\")\n except:\n print(\"Problem in DFTB calculation\")\n struc = None\n\n os.chdir(cwd)\n return struc\n\n\ndef DFTB_SCF(struc, skf_dir, kresol=0.10, folder=\"tmp\", disp=None, filename=None):\n \"\"\"\n DFTB SCF to get band structure\n\n Args:\n struc: ase atoms object\n skf_dir:\n kresol:\n filename: band structure output\n \"\"\"\n if not os.path.exists(folder):\n os.makedirs(folder)\n cwd = os.getcwd()\n os.chdir(folder)\n\n kpts = Kgrid(struc, kresol)\n atom_types = set(struc.get_chemical_symbols())\n kwargs = make_Hamiltonian(skf_dir, atom_types, disp, kpts, write_band=True)\n\n calc = Dftb(\n label=\"test\",\n atoms=struc,\n kpts=kpts,\n **kwargs,\n )\n\n struc.set_calculator(calc)\n struc.get_potential_energy()\n eigvals = calc.read_eigenvalues()[0]\n ne = calc.read_electrons()\n nband = int(ne / 2)\n vbm = eigvals[:, nband - 1].max()\n cbm = eigvals[:, nband].min()\n gap = cbm - vbm\n # if filename is not None:\n # # plot band structure\n os.chdir(cwd)\n return gap\n\n\nclass DFTB:\n \"\"\"\n Modified DFTB calculator\n\n Args:\n struc: ase atoms object\n disp: dispersion (D3, D30, TS, MBD))\n step: optimization steps (int)\n kresol: kpoint resolution (float)\n folder: (str)\n label: (str)\n use_omp: True/False\n \"\"\"\n\n def __init__(\n self,\n struc,\n skf_dir,\n disp=\"D3\",\n kresol=0.10,\n folder=\"tmp\",\n label=\"test\",\n prefix=\"geo_final\",\n use_omp=False,\n scc_error=1e-6,\n scc_iter=500,\n ):\n self.struc = struc\n self.skf_dir = skf_dir\n self.folder = folder\n self.kresol = kresol\n self.disp = disp\n self.label = label\n self.kpts = Kgrid(struc, kresol)\n self.prefix = prefix\n self.use_omp = use_omp\n self.scc_error = scc_error\n self.scc_iter = scc_iter\n if not os.path.exists(self.folder):\n os.makedirs(self.folder)\n\n def get_calculator(self, mode, step=500, ftol=1e-3, FixAngles=False, eVperA=True, md_params=None):\n \"\"\"\n get the ase style calculator\n\n Args:\n mode: ['single', 'relax', 'vc_relax'] (str)\n step: relaxation steps (int)\n ftol: force tolerance (float)\n FixAngles: Fix angles between lattice vectors\n eVperA: unit in eV/A\n\n Returns:\n ase calculator\n \"\"\"\n if md_params is None:\n md_params = {}\n if eVperA:\n ftol *= 0.194469064593167e-01\n atom_types = set(self.struc.get_chemical_symbols())\n kwargs = make_Hamiltonian(\n self.skf_dir,\n atom_types,\n self.disp,\n self.kpts,\n scc_error=self.scc_error,\n scc_iter=self.scc_iter,\n use_omp=self.use_omp,\n )\n\n if mode in [\"relax\", \"vc-relax\"]:\n # kwargs['Driver_'] = 'ConjugateGradient'\n kwargs[\"Driver_\"] = \"GeometryOptimization\"\n kwargs[\"Driver_Optimizer\"] = \"FIRE {}\"\n # kwargs['Driver_MaxForceComponent'] = ftol\n kwargs[\"Driver_MaxSteps\"] = step\n kwargs[\"Driver_OutputPrefix\"] = self.prefix\n kwargs[\"Driver_Convergence_\"] = \"\"\n kwargs[\"Driver_Convergence_GradElem\"] = ftol\n\n if mode == \"vc-relax\":\n kwargs[\"Driver_MovedAtoms\"] = \"1:-1\"\n kwargs[\"Driver_LatticeOpt\"] = \"Yes\"\n if FixAngles:\n kwargs[\"Driver_FixAngles\"] = \"Yes\"\n\n elif mode in [\"nve\", \"nvt\", \"npt\"]:\n # 1fs = 41.3 au\n # 1000K = 0.0031668 au\n dicts = {\n \"temperature\": 300,\n \"pressure\": 1e5, # 1atm\n \"timestep\": 1,\n \"Thermostat\": \"NoseHoover\",\n \"MDRestartFrequency\": 1000,\n \"band\": \"No\",\n }\n dicts.update(md_params)\n\n kwargs[\"Analysis_WriteBandOut\"] = dicts[\"band\"]\n kwargs[\"Driver_\"] = \"VelocityVerlet\"\n kwargs[\"Driver_Steps\"] = step\n kwargs[\"Driver_TimeStep [fs]\"] = dicts[\"timestep\"]\n kwargs[\"Driver_MDRestartFrequency\"] = dicts[\"MDRestartFrequency\"]\n kwargs[\"Driver_MovedAtoms\"] = \"1:-1\"\n kwargs[\"Driver_OutputPrefix\"] = self.prefix\n\n if mode in [\"nvt\", \"npt\"]:\n kwargs[\"Driver_Thermostat_\"] = dicts[\"Thermostat\"]\n kwargs[\"Driver_Thermostat_Temperature [Kelvin]\"] = dicts[\"temperature\"]\n kwargs[\"Driver_Thermostat_CouplingStrength [cm^-1]\"] = 3200\n\n if mode == \"npt\":\n kwargs[\"Driver_Barostat_\"] = \"\"\n kwargs[\"Driver_Barostat_Pressure [Pa]\"] = dicts[\"pressure\"]\n kwargs[\"Driver_Barostat_Timescale [ps]\"] = 0.1\n\n return Dftb(\n label=self.label,\n # run_manyDftb_steps=True,\n atoms=self.struc,\n kpts=self.kpts,\n **kwargs,\n )\n\n def run(self, mode, step=500, ftol=1e-3, FixAngles=False, md_params=None):\n \"\"\"\n execute the actual calculation\n \"\"\"\n from time import time\n\n if md_params is None:\n md_params = {}\n t0 = time()\n cwd = os.getcwd()\n os.chdir(self.folder)\n\n self.calc = self.get_calculator(mode, step, ftol, FixAngles, md_params=md_params)\n self.struc.set_calculator(self.calc)\n # self.struc.write('geo_o.gen', format='dftb')\n # execute the simulation\n self.calc.calculate(self.struc)\n final = read(self.prefix + \".gen\") if mode in [\"relax\", \"vc-relax\"] else self.struc\n\n # get the final energy\n energy = self.struc.get_potential_energy()\n\n with open(self.label + \".out\") as f:\n l = f.readlines()\n self.version = l[2]\n os.chdir(cwd)\n self.time = time() - t0\n return final, energy\n\n\nclass Dftb(FileIOCalculator):\n \"\"\"This module defines a FileIOCalculator for DFTB+\n\n http://www.dftbplus.org/\n http://www.dftb.org/\n\n Initial development: markus.kaukonen@iki.fi\n Modified by QZ to avoid the I/O load\n \"\"\"\n\n command = os.environ[\"DFTB_COMMAND\"] + \" > PREFIX.out\" if \"DFTB_COMMAND\" in os.environ else \"dftb+ > PREFIX.out\"\n\n implemented_properties = [\"energy\", \"forces\", \"stress\"]\n discard_results_on_any_change = True\n\n def __init__(\n self,\n restart=None,\n ignore_bad_restart_file=FileIOCalculator._deprecated,\n label=\"dftb\",\n atoms=None,\n kpts=None,\n slako_dir=None,\n **kwargs,\n ):\n \"\"\"\n All keywords for the dftb_in.hsd input file (see the DFTB+ manual)\n can be set by ASE. Consider the following input file block:\n\n >>> Hamiltonian = DFTB {\n >>> SCC = Yes\n >>> SCCTolerance = 1e-8\n >>> MaxAngularMomentum = {\n >>> H = s\n >>> O = p\n >>> }\n >>> }\n\n This can be generated by the DFTB+ calculator by using the\n following settings:\n\n >>> calc = Dftb(Hamiltonian_='DFTB', # line is included by default\n >>> Hamiltonian_SCC='Yes',\n >>> Hamiltonian_SCCTolerance=1e-8,\n >>> Hamiltonian_MaxAngularMomentum_='',\n >>> Hamiltonian_MaxAngularMomentum_H='s',\n >>> Hamiltonian_MaxAngularMomentum_O='p')\n\n In addition to keywords specific to DFTB+, also the following keywords\n arguments can be used:\n\n restart: str\n Prefix for restart file. May contain a directory.\n Default is None: don't restart.\n ignore_bad_restart_file: bool\n Ignore broken or missing restart file. By default, it is an\n error if the restart file is missing or broken.\n label: str (default 'dftb')\n Prefix used for the main output file (