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            "structure_string": "Ca4 Ta4 O14\n1.0\n6.429857 0.000000 3.712279\n2.143285 6.062127 3.712279\n0.000000 0.000000 7.424560\nCa Ta O\n4 4 14\ndirect\n0.500001 0.500000 0.500000 Ca\n0.500001 0.500000 -0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 -0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ta\n0.500000 -0.000000 -0.000000 Ta\n0.000000 0.500000 -0.000000 Ta\n-0.000000 -0.000000 0.500000 Ta\n0.932171 0.317830 0.317830 O\n0.317830 0.317830 0.932170 O\n0.932171 0.932171 0.317829 O\n0.067830 0.682170 0.682170 O\n0.375000 0.375000 0.375000 O\n0.932171 0.317830 0.932170 O\n0.317831 0.932171 0.317829 O\n0.067830 0.682170 0.067830 O\n0.067830 0.067830 0.682170 O\n0.682171 0.682170 0.067829 O\n0.682171 0.067830 0.682170 O\n0.317831 0.932171 0.932170 O\n0.625001 0.625000 0.625000 O\n0.682171 0.067830 0.067830 O\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Ca",
                "Ta",
                "O"
            ],
            "chemical_system": "Ca-O-Ta",
            "density": 6.358125173123943,
            "density_atomic": 0.07601960606600663,
            "volume": 289.39902662607517,
            "volume_molar": 7.921825791587331,
            "formula_full": "Ca4 Ta4 O14",
            "formula_reduced": "Ca2Ta2O7",
            "formula_anonymous": "A2B2C7",
            "energy_above_hull": 2.938933976363636,
            "spacegroup": 227
        }
    ]
}