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{
"id": "jvasp-112040",
"created_at": "2022-09-04T14:38:42.693280Z",
"updated_at": "2022-09-04T14:38:42.693313Z",
"structure_string": "H10 C16 N2 O4\n1.0\n5.037053 0.339335 -0.010604\n-0.039527 5.753958 -0.046616\n0.022902 -0.017691 10.589655\nH C N O\n10 16 2 4\ndirect\n0.157172 0.936818 0.319394 H\n0.860171 0.058981 0.134871 H\n0.718741 0.620459 0.737078 H\n0.400138 0.947156 0.799103 H\n0.131224 0.420928 0.070931 H\n0.184867 0.749709 0.069810 H\n0.198825 0.260816 0.328459 H\n0.711438 0.122624 0.651252 H\n0.397714 0.451440 0.590625 H\n0.877670 0.568895 0.263417 H\n0.606567 0.021992 0.973351 C\n0.144873 0.436628 0.878793 C\n0.832264 0.964645 0.046715 C\n0.011250 0.785938 0.010778 C\n0.966457 0.652626 0.901725 C\n0.751526 0.718435 0.823520 C\n0.571813 0.903774 0.858476 C\n0.407443 0.174616 0.043697 C\n0.021843 0.295115 0.385554 C\n0.844410 0.473445 0.349649 C\n0.970156 0.158895 0.491146 C\n0.750001 0.222601 0.567152 C\n0.572534 0.408728 0.532852 C\n0.613799 0.528586 0.420390 C\n0.418741 0.680481 0.348662 C\n0.146327 0.942075 0.512370 C\n0.241671 0.854466 0.395472 N\n0.226337 0.342493 0.995566 N\n0.206371 0.349838 0.776032 O\n0.194819 0.848718 0.613991 O\n0.415916 0.654088 0.232248 O\n0.400444 0.152879 0.160091 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.591333308656356,
"density_atomic": 0.10421457026392149,
"volume": 307.05879148146545,
"volume_molar": 5.778597699677731,
"formula_full": "H10 C16 N2 O4",
"formula_reduced": "H5C8NO2",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 5.533773765625001,
"spacegroup": 1
}
]
}