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"structure_string": "H8 C2 N4 O2\n1.0\n5.029093 0.000000 0.000000\n0.000000 5.029093 -0.000000\n0.000000 0.000000 5.623888\nH C N O\n8 2 4 2\ndirect\n0.830399 0.000000 0.107460 H\n0.500000 0.669600 0.107460 H\n0.669600 0.500000 0.892540 H\n0.000000 0.169600 0.892540 H\n0.330400 0.500000 0.892540 H\n0.169600 0.000000 0.107460 H\n0.500000 0.330400 0.107460 H\n0.000000 0.830399 0.892540 H\n0.500000 0.000000 0.495002 C\n0.000000 0.500000 0.504998 C\n0.000000 0.500000 0.719184 N\n0.500000 0.000000 0.280816 N\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.290139 O\n0.500000 0.000000 0.709861 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.4022135123912776,
"density_atomic": 0.1124874277472109,
"volume": 142.23811780954085,
"volume_molar": 5.3536122930407375,
"formula_full": "H8 C2 N4 O2",
"formula_reduced": "H4CN2O",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 4.16992,
"spacegroup": 129
}
]
}