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C\n0.528150 0.750000 0.049881 C\n0.877198 0.250000 0.598145 C\n0.377198 0.250000 0.901855 C\n0.122802 0.750000 0.401855 C\n0.622802 0.750000 0.098145 C\n0.908203 0.373805 0.435388 C\n0.408203 0.126195 0.064612 C\n0.091797 0.873805 0.564612 C\n0.591797 0.626195 0.935388 C\n0.091797 0.626195 0.564612 C\n0.591797 0.873805 0.935388 C\n0.908203 0.126195 0.435388 C\n0.408203 0.373805 0.064612 C\n0.847952 0.250000 0.006909 C\n0.347952 0.250000 0.493091 C\n0.152048 0.750000 0.993091 C\n0.652048 0.750000 0.506909 C\n0.930321 0.250000 0.897837 C\n0.430321 0.250000 0.602163 C\n0.069679 0.750000 0.102163 C\n0.569679 0.750000 0.397837 C\n0.925861 0.373426 0.073117 C\n0.425861 0.126574 0.426883 C\n0.074139 0.873426 0.926883 C\n0.574139 0.626574 0.573117 C\n0.074139 0.626574 0.926883 C\n0.574139 0.873426 0.573117 C\n0.925861 0.126574 0.073117 C\n0.425861 0.373426 0.426883 C\n0.752780 0.250000 0.768783 C\n0.252780 0.250000 0.731217 C\n0.247220 0.750000 0.231217 C\n0.747220 0.750000 0.268783 C\n0.710519 0.250000 0.584876 C\n0.210519 0.250000 0.915124 C\n0.289481 0.750000 0.415124 C\n0.789481 0.750000 0.084876 C\n0.670357 0.373566 0.739506 C\n0.170357 0.126434 0.760494 C\n0.329643 0.873566 0.260494 C\n0.829643 0.626434 0.239506 C\n0.329643 0.626434 0.260494 C\n0.829643 0.873566 0.239506 C\n0.670357 0.126434 0.739506 C\n0.170357 0.373566 0.760494 C\n0.916457 0.250000 0.504819 N\n0.416457 0.250000 0.995181 N\n0.083543 0.750000 0.495181 N\n0.583543 0.750000 0.004819 N\n0.907307 0.250000 0.012598 N\n0.407307 0.250000 0.487402 N\n0.092693 0.750000 0.987402 N\n0.592693 0.750000 0.512598 N\n0.701005 0.250000 0.707997 N\n0.201005 0.250000 0.792003 N\n0.298995 0.750000 0.292003 N\n0.798995 0.750000 0.207997 N\n0.665937 0.424531 0.336014 Cl\n0.165937 0.075469 0.163986 Cl\n0.334063 0.924531 0.663986 Cl\n0.834063 0.575469 0.836014 Cl\n0.334063 0.575469 0.663986 Cl\n0.834063 0.924531 0.836014 Cl\n0.665937 0.075469 0.336014 Cl\n0.165937 0.424531 0.163986 Cl\n0.540362 0.425162 0.213527 Cl\n0.040362 0.074838 0.286473 Cl\n0.459638 0.925162 0.786473 Cl\n0.959638 0.574838 0.713527 Cl\n0.459638 0.574838 0.786473 Cl\n0.959638 0.925162 0.713527 Cl\n0.540362 0.074838 0.213527 Cl\n0.040362 0.425162 0.286473 Cl\n0.567483 0.250000 0.472473 Cl\n0.067483 0.250000 0.027527 Cl\n0.432517 0.750000 0.527527 Cl\n0.932517 0.750000 0.972473 Cl\n0.709428 0.422839 0.059656 Cl\n0.209428 0.077161 0.440344 Cl\n0.290572 0.922839 0.940344 Cl\n0.790572 0.577161 0.559656 Cl\n0.290572 0.577161 0.940344 Cl\n0.790572 0.922839 0.559656 Cl\n0.709428 0.077161 0.059656 Cl\n0.209428 0.422839 0.440344 Cl\n0.781543 0.250000 0.277066 Cl\n0.281543 0.250000 0.222934 Cl\n0.218457 0.750000 0.722934 Cl\n0.718457 0.750000 0.777066 Cl\n",
            "nsites": 248,
            "nelements": 5,
            "elements": [
                "Mo",
                "H",
                "C",
                "N",
                "Cl"
            ],
            "chemical_system": "C-Cl-H-Mo-N",
            "density": 1.5414326635491606,
            "density_atomic": 0.08234236792276595,
            "volume": 3011.81525691142,
            "volume_molar": 7.313538475901667,
            "formula_full": "Mo8 H148 C48 N12 Cl32",
            "formula_reduced": "Mo2H37C12N3Cl8",
            "formula_anonymous": "A2B3C8D12E37",
            "energy": -1285.72036873,
            "energy_per_atom": -5.184356325524194,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1266.07236873,
            "band_gap": 0.6862999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.0607517,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:34.299000Z",
            "spacegroup": 62
        }
    ]
}