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"structure_string": "C4\n1.0\n0.000000 0.000000 -2.505066\n-2.181216 -2.181216 1.252533\n-2.181216 2.181216 -1.252533\nC\n4\ndirect\n0.180292 0.360583 0.000000 C\n0.819706 0.639414 0.000000 C\n0.819710 0.000000 0.360583 C\n0.180292 0.000000 0.639414 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.346808709858593,
"density_atomic": 0.16780831387452494,
"volume": 23.836721242494065,
"volume_molar": 3.588702264479534,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"formation_energy": 0.3249940425,
"spacegroup": 139
}
]
}