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            "structure_string": "Ba6 Co6 O16 F1\n1.0\n2.873710 -5.042897 0.000000\n2.873710 5.042897 0.000000\n0.000000 0.000000 14.436981\nBa Co O F\n6 6 16 1\ndirect\n0.000495 0.999505 0.500000 Ba\n0.682282 0.317718 0.000000 Ba\n0.338242 0.661758 0.647087 Ba\n0.338242 0.661758 0.352913 Ba\n0.001164 0.998836 0.812213 Ba\n0.001164 0.998836 0.187787 Ba\n0.673492 0.326508 0.755840 Co\n0.673492 0.326508 0.244160 Co\n0.325794 0.674206 0.881517 Co\n0.325794 0.674206 0.118483 Co\n0.673955 0.326045 0.585257 Co\n0.673955 0.326045 0.414743 Co\n0.829864 0.170136 0.656474 O\n0.382985 0.180112 0.668638 O\n0.819888 0.617015 0.668638 O\n0.829864 0.170136 0.343526 O\n0.382985 0.180112 0.331362 O\n0.819888 0.617015 0.331362 O\n0.987677 0.485564 0.834112 O\n0.514436 0.012323 0.834112 O\n0.495159 0.504841 0.850800 O\n0.987677 0.485564 0.165888 O\n0.514436 0.012323 0.165888 O\n0.495159 0.504841 0.149200 O\n0.516304 0.032265 0.500000 O\n0.523606 0.476394 0.500000 O\n0.967735 0.483696 0.500000 O\n0.258424 0.741576 0.000000 O\n0.947817 0.052183 0.000000 F\n",
            "nsites": 29,
            "nelements": 4,
            "elements": [
                "Ba",
                "Co",
                "O",
                "F"
            ],
            "chemical_system": "Ba-Co-F-O",
            "density": 5.7643555744855055,
            "density_atomic": 0.06930564029250866,
            "volume": 418.4363621431639,
            "volume_molar": 8.689250592856787,
            "formula_full": "Ba6 Co6 O16 F1",
            "formula_reduced": "Ba6Co6O16F",
            "formula_anonymous": "AB6C6D16",
            "energy": -196.80028573,
            "energy_per_atom": -6.786216749310345,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -175.51828573,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.9138216,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:12.686000Z",
            "spacegroup": 38
        }
    ]
}