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            "structure_string": "Cu12 As4 S13\n1.0\n8.367076 0.000000 -2.958209\n-4.183538 7.246100 -2.958209\n-0.000000 -0.000000 8.874626\nCu As S\n12 4 13\ndirect\n0.777993 0.777993 -0.000000 Cu\n-0.000000 0.777993 0.777993 Cu\n0.222007 0.222007 -0.000000 Cu\n0.222007 0.000000 0.222007 Cu\n0.500000 0.250000 0.750000 Cu\n0.750000 0.500000 0.250000 Cu\n0.250000 0.500000 0.750000 Cu\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.750000 0.250000 Cu\n-0.000000 0.222007 0.222007 Cu\n0.777993 0.000000 0.777993 Cu\n0.528628 0.528628 0.528628 As\n-0.000000 0.471372 -0.000000 As\n0.471372 -0.000000 0.000000 As\n0.000000 0.000000 0.471373 As\n0.240522 0.240522 0.760088 S\n0.480435 0.480434 0.239913 S\n0.519566 0.759478 -0.000000 S\n0.759478 0.519566 -0.000000 S\n-0.000000 0.759478 0.519566 S\n0.760088 0.240522 0.240522 S\n0.240522 0.760087 0.240522 S\n0.759479 0.000000 0.519566 S\n0.519566 0.000000 0.759479 S\n-0.000000 0.519566 0.759478 S\n0.239913 0.480434 0.480435 S\n0.480435 0.239913 0.480435 S\n0.000000 0.000000 0.000000 S\n",
            "nsites": 29,
            "nelements": 3,
            "elements": [
                "Cu",
                "As",
                "S"
            ],
            "chemical_system": "As-Cu-S",
            "density": 4.564714960232634,
            "density_atomic": 0.053897658837199804,
            "volume": 538.0567658345931,
            "volume_molar": 11.17328820940096,
            "formula_full": "Cu12 As4 S13",
            "formula_reduced": "Cu12As4S13",
            "formula_anonymous": "A4B12C13",
            "energy_above_hull": 1.2679128413793104,
            "spacegroup": 217
        }
    ]
}