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{
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"created_at": "2022-09-04T14:37:00.585047Z",
"updated_at": "2022-09-04T14:37:00.585088Z",
"structure_string": "H12 C18 O1\n1.0\n3.691831 -0.006065 0.001185\n1.105083 5.723673 0.008042\n-0.001615 -0.002425 13.561134\nH C O\n12 18 1\ndirect\n0.681256 0.114120 0.735607 H\n0.184916 0.180742 0.622612 H\n0.681251 0.114100 0.328376 H\n0.571264 0.833550 0.441342 H\n0.475688 0.815091 0.111379 H\n0.259492 0.848084 0.779113 H\n0.891243 0.081208 0.910275 H\n0.259840 0.848121 0.284223 H\n0.475419 0.815024 0.951960 H\n0.184962 0.180714 0.441382 H\n0.891053 0.081199 0.153702 H\n0.571205 0.833591 0.621940 H\n0.457902 0.484366 0.319885 C\n0.627083 0.267744 0.280482 C\n0.746293 0.247638 0.880647 C\n0.274463 0.323693 0.480707 C\n0.746227 0.247640 0.183194 C\n0.627091 0.267754 0.783358 C\n0.386256 0.504679 0.636648 C\n0.697500 0.444513 0.941111 C\n0.515524 0.660105 0.905114 C\n0.697521 0.444534 0.122548 C\n0.457814 0.484372 0.743767 C\n0.470678 0.693993 0.583036 C\n0.397445 0.678149 0.256271 C\n0.274438 0.323708 0.583127 C\n0.470707 0.693974 0.480404 C\n0.515697 0.660145 0.158365 C\n0.397245 0.678127 0.807205 C\n0.386317 0.504656 0.426992 C\n0.873532 0.415346 0.031833 O\n",
"nsites": 31,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.4151401996356414,
"density_atomic": 0.1081461866900511,
"volume": 286.6490345040695,
"volume_molar": 5.5685188209729155,
"formula_full": "H12 C18 O1",
"formula_reduced": "H12C18O",
"formula_anonymous": "AB12C18",
"energy_above_hull": 5.894475596774194,
"spacegroup": 6
}
]
}