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"energy_above_hull": 5.184398107142857,
"spacegroup": 1
},
{
"id": "jvasp-104154",
"created_at": "2022-09-04T14:36:51.691836Z",
"updated_at": "2022-09-04T14:36:51.691856Z",
"structure_string": "H16 C24 S2 O2\n1.0\n3.677541 0.049104 0.788650\n1.187031 10.394410 -3.484951\n-0.098882 -0.162137 11.063436\nH C S O\n16 24 2 2\ndirect\n0.801447 0.850736 0.992185 H\n0.294520 0.618315 0.381065 H\n0.794368 0.618280 0.881064 H\n0.973553 0.780388 0.336668 H\n0.454127 0.546288 0.727762 H\n0.954271 0.546293 0.227748 H\n0.770634 0.968307 0.717837 H\n0.270417 0.968350 0.217775 H\n0.473503 0.780375 0.836696 H\n0.828986 0.418309 0.779893 H\n0.532470 0.171142 0.187056 H\n0.032683 0.171111 0.687055 H\n0.430516 0.017008 0.651449 H\n0.930156 0.017007 0.151424 H\n0.301706 0.850760 0.492196 H\n0.328876 0.418347 0.279910 H\n0.901791 0.831176 0.170385 C\n0.401920 0.831179 0.670405 C\n0.887268 0.562797 0.043787 C\n0.387272 0.562812 0.543793 C\n0.298212 0.056329 0.862405 C\n0.336137 0.783544 0.543743 C\n0.835967 0.783525 0.043730 C\n0.829524 0.652171 0.981501 C\n0.329631 0.652196 0.481507 C\n0.424213 0.612514 0.674720 C\n0.798036 0.056332 0.362379 C\n0.924263 0.612512 0.174706 C\n0.436885 0.424225 0.468694 C\n0.933803 0.744200 0.236823 C\n0.474865 0.970170 0.721143 C\n0.974637 0.970178 0.221111 C\n0.631896 0.184692 0.379413 C\n0.132035 0.184680 0.879426 C\n0.936934 0.424208 0.968693 C\n0.415137 0.365460 0.338406 C\n0.915240 0.365433 0.838400 C\n0.527466 0.231563 0.287795 C\n0.027621 0.231539 0.787797 C\n0.433808 0.744197 0.736844 C\n0.082057 0.309337 0.029793 S\n0.582005 0.309341 0.529780 S\n0.329838 0.024056 0.957764 O\n0.829676 0.024047 0.457730 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"S",
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],
"chemical_system": "C-H-O-S",
"density": 1.5802479587186116,
"density_atomic": 0.10454724436196891,
"volume": 420.8623600604996,
"volume_molar": 5.760209938341206,
"formula_full": "H16 C24 S2 O2",
"formula_reduced": "H8C12SO",
"formula_anonymous": "ABC8D12",
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"spacegroup": 1
}
]
}