express/tests/fixtures/structural/test-002/mp-32.json at 896b5d82d768b0220504c4b0e95f97f923443aaf · Exabyte-io/express · GitHub

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{
    "@module": "pymatgen.core.structure",
    "@class": "Structure",
    "charge": 0,
    "lattice": {
        "matrix": [
            [
                3.47512448,
                0.0,
                2.00636466
            ],
            [
                1.15837483,
                3.2763781,
                2.00636466
            ],
            [
                0.0,
                0.0,
                4.01272831
            ]
        ],
        "pbc": [
            true,
            true,
            true
        ],
        "a": 4.012728410993222,
        "b": 4.012727856438068,
        "c": 4.01272831,
        "alpha": 59.99998793483045,
        "beta": 59.99999250641951,
        "gamma": 59.999990385095536,
        "volume": 45.68820923290832
    },
    "properties": {},
    "sites": [
        {
            "species": [
                {
                    "element": "Ge",
                    "occu": 1
                }
            ],
            "abc": [
                0.875,
                0.875,
                0.875
            ],
            "properties": {
                "magmom": -0.0
            },
            "label": "Ge",
            "xyz": [
                4.05431189625,
                2.8668308375000002,
                7.02227542625
            ]
        },
        {
            "species": [
                {
                    "element": "Ge",
                    "occu": 1
                }
            ],
            "abc": [
                0.125,
                0.125,
                0.125
            ],
            "properties": {
                "magmom": -0.0
            },
            "label": "Ge",
            "xyz": [
                0.579187413749999,
                0.4095472625,
                1.00318220375
            ]
        }
    ]
}