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            "structure_string": "Yb16 S29\n1.0\n-5.364127 5.364127 8.229885\n5.364127 -5.364127 8.229885\n5.364127 5.364127 -8.229885\nYb S\n16 29\ndirect\n0.980659 0.980659 0.251397 Yb\n0.014786 0.770470 0.499075 Yb\n0.230723 0.230723 0.745133 Yb\n0.484289 0.985214 0.755684 Yb\n0.270738 0.019341 0.000000 Yb\n0.514410 0.769277 0.000000 Yb\n0.485590 0.485590 0.254867 Yb\n0.728606 0.229530 0.244316 Yb\n0.515711 0.271394 0.500925 Yb\n0.770470 0.014786 0.499075 Yb\n0.729262 0.729262 0.748603 Yb\n0.985214 0.484289 0.755684 Yb\n0.769277 0.514410 0.000000 Yb\n0.019341 0.270738 0.000000 Yb\n0.229530 0.728606 0.244316 Yb\n0.271394 0.515711 0.500925 Yb\n0.259410 0.259410 0.518219 S\n0.500000 0.244964 0.744964 S\n0.740590 0.258809 0.000000 S\n0.802030 0.802030 0.242399 S\n0.755036 0.500000 0.255036 S\n0.000000 0.231753 0.231753 S\n0.741191 0.741191 0.481781 S\n0.197589 0.940043 0.499207 S\n0.060980 0.060980 0.752487 S\n0.000000 0.768247 0.768247 S\n0.301618 0.802411 0.742454 S\n0.244964 0.500000 0.744964 S\n0.000000 0.000000 0.000000 S\n0.440370 0.197970 0.000000 S\n0.258809 0.740590 0.000000 S\n0.691507 0.939020 0.000000 S\n0.308493 0.308493 0.247513 S\n0.231753 0.000000 0.231753 S\n0.559164 0.059957 0.257546 S\n0.500000 0.755036 0.255036 S\n0.698382 0.440836 0.500793 S\n0.940043 0.197589 0.499207 S\n0.559630 0.559630 0.757601 S\n0.802411 0.301618 0.742454 S\n0.768247 0.000000 0.768247 S\n0.939020 0.691507 0.000000 S\n0.197970 0.440370 0.000000 S\n0.059957 0.559164 0.257546 S\n0.440836 0.698382 0.500793 S\n",
            "nsites": 45,
            "nelements": 2,
            "elements": [
                "Yb",
                "S"
            ],
            "chemical_system": "S-Yb",
            "density": 6.4837430425748055,
            "density_atomic": 0.04750733324878791,
            "volume": 947.2221849275894,
            "volume_molar": 12.67623406361932,
            "formula_full": "Yb16 S29",
            "formula_reduced": "Yb16S29",
            "formula_anonymous": "A16B29",
            "energy": -215.68745644,
            "energy_per_atom": -4.793054587555556,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -201.10045644,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001024,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:54.833000Z",
            "spacegroup": 121
        }
    ]
}