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            "structure_string": "B18 Cl18\n1.0\n11.653684 0.398082 1.023866\n1.112605 9.580145 1.192957\n0.240244 0.337043 11.714733\nB Cl\n18 18\ndirect\n0.271517 0.490668 0.270607 B\n0.258327 0.243547 0.427053 B\n0.225223 0.418378 0.400196 B\n0.235110 0.740026 0.724602 B\n0.240631 0.652723 0.238980 B\n0.296517 0.252914 0.783861 B\n0.402144 0.418451 0.225783 B\n0.401386 0.216523 0.400173 B\n0.427450 0.243552 0.257332 B\n0.593493 0.766041 0.743107 B\n0.599652 0.745435 0.598287 B\n0.613480 0.603907 0.716917 B\n0.727285 0.742305 0.231721 B\n0.732135 0.341430 0.731120 B\n0.786213 0.248349 0.298919 B\n0.718011 0.603018 0.612993 B\n0.813905 0.414688 0.811907 B\n0.744790 0.764647 0.593448 B\n0.093888 0.794230 0.776041 Cl\n0.163137 0.119985 0.475940 Cl\n0.147290 0.513367 0.510436 Cl\n0.222715 0.828826 0.220040 Cl\n0.247128 0.238119 0.928786 Cl\n0.541310 0.884625 0.836165 Cl\n0.503398 0.178970 0.503039 Cl\n0.515888 0.508665 0.150615 Cl\n0.564909 0.431772 0.762025 Cl\n0.500598 0.814984 0.497467 Cl\n0.476233 0.118088 0.163266 Cl\n0.776525 0.795458 0.090060 Cl\n0.743659 0.156518 0.743143 Cl\n0.762594 0.430389 0.564147 Cl\n0.763123 0.445798 0.953034 Cl\n0.929385 0.243518 0.243761 Cl\n0.838256 0.882205 0.541982 Cl\n0.955798 0.442181 0.760848 Cl\n",
            "nsites": 36,
            "nelements": 2,
            "elements": [
                "B",
                "Cl"
            ],
            "chemical_system": "B-Cl",
            "density": 1.0668678031805294,
            "density_atomic": 0.027774632912352618,
            "volume": 1296.1467434548592,
            "volume_molar": 21.68216148527992,
            "formula_full": "B18 Cl18",
            "formula_reduced": "BCl",
            "formula_anonymous": "AB",
            "energy": -162.10705867,
            "energy_per_atom": -4.502973851944444,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -151.05505867,
            "band_gap": 0.0309999999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005415,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:43.934000Z",
            "spacegroup": 8
        }
    ]
}