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"structure_string": "Si4\n1.0\n1.631200 -4.716634 0.000000\n1.631200 4.716634 0.000000\n0.000000 0.000000 3.991753\nSi\n4\ndirect\n0.895850 0.104150 0.750000 Si\n0.624969 0.375031 0.750000 Si\n0.104150 0.895850 0.250000 Si\n0.375031 0.624969 0.250000 Si\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.0370937819433053,
"density_atomic": 0.06512188233253421,
"volume": 61.42328594825708,
"volume_molar": 9.247491848053356,
"formula_full": "Si4",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -19.74196027,
"energy_per_atom": -4.9354900675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.74196027,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.76e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.698000Z",
"spacegroup": 63
}
]
}