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    "info": {
        "author": "Tomasz Necio",
        "author_email": "Tomasz.Necio@fuw.edu.pl",
        "bugtrack_url": null,
        "classifiers": [
            "Intended Audience :: Science/Research",
            "License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)",
            "Operating System :: OS Independent",
            "Programming Language :: Python :: 3",
            "Topic :: Scientific/Engineering :: Physics"
        ],
        "description": "# supercell-core\nPackage for investigation of mulitlayer 2D heterostructures lattices\n\nAuthor: Tomasz Necio, University of Warsaw\n\nCopyright (C) 2019 University of Warsaw\n\n# Installation:\n`pip3 install supercell-core --user`\n\n# Documentation\n\nhttps://readthedocs.org/projects/supercell-core/\n\n# Usage example\n\n```\n# Load supercell_core\nimport supercell_core as sc\n\n# Read NiPS3 data from a POSCAR file into `nips3` Lattice object\n# We need to provide names of chemical elements because they don't have to\n# appear in POSCAR, but supercell-core needs them\n# This will only work if you actually have a file named \"POSCAR_nips3\",\n# you can copy it from /supercell_core/resources/vasp/NiPS3 directory\nnips3 = sc.read_POSCAR(\"POSCAR_nips3\", [\"Ni\", \"P\", \"S\"])\n\n# Let's create `graphene` Lattice object by hand\ngraphene = sc.lattice()\ngraphene.set_vectors([2.133, -1.23], [2.133, 1.23])\n# atom \"C\" at position (0, 0, 0)\ngraphene.add_atom(\"C\", (0, 0, 0))\n\n# Methods can be chained\nnips3_with_a_rouge_atom = sc.lattice().set_vectors(*nips3.vectors()) \\\n                            .add_atom(\"U\", (0, 0, 1), spin=(0, 0, 1))\n\n# Define heterostructure\nh = sc.heterostructure().set_substrate(graphene).add_layer(nips3)\n\n# Calculate strain tensor for particular supercell configuration\n# (see help(sc.heterostructure()) for details)\nM = [[1, -9], [8, 1]]\ntheta = 21.9 * sc.DEGREE\nres = h.calc(M=M, thetas=[theta])\nprint(res.strain_tensors()) # Use help(res) to see all public methods of `Result`\n\n# Optimise strain to find best supercell, with max repetition along any\n# axis <= 12 substrate unit cells, and relative angle only from 0 to 7 degrees\n# with resolution 0.1 deg\nres = h.opt(max_el=12, thetas=[np.arange(0, 7*sc.DEGREE, 0.1*sc.DEGREE)])\nsuperlattice = res.superlattice() # Lattice object\nsuperlattice.save_POSCAR(\"POSCAR_sc\") # save to file\n\nfig, ax = superlattice.draw()\nfig.show() # Show unit cell using matplotlib library\n\n# To learn more use built-in documentation, e.g.:\nhelp(nips3) # shows help on Lattice object when Python is in interactive mode (use 'q' to quit)\nprint(help(nips3)) # prints to stdout\n```\n\n\n",
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        "license": "GPLv3",
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        "name": "supercell-core",
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