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"structure_string": "H4 C6 S2 O1\n1.0\n4.521639 0.026144 -0.953430\n-1.544618 4.798238 -1.383614\n0.056134 -0.008288 6.794891\nH C S O\n4 6 2 1\ndirect\n0.985860 0.608107 0.852786 H\n0.332393 0.061570 0.216026 H\n0.293457 0.404020 0.566582 H\n0.295034 0.493063 0.971198 H\n0.182431 0.003339 0.311949 C\n0.159771 0.184668 0.499095 C\n0.952472 0.058759 0.595022 C\n0.991767 0.734611 0.267612 C\n0.042639 0.457556 0.929240 C\n0.873885 0.159668 0.785615 C\n0.779530 0.705612 0.448776 S\n0.605903 0.953607 0.854104 S\n0.939475 0.491420 0.118448 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.7541730768347679,
"density_atomic": 0.08790532053616323,
"volume": 147.88638413134447,
"volume_molar": 6.850712474818359,
"formula_full": "H4 C6 S2 O1",
"formula_reduced": "H4C6S2O",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 4.979754115384615,
"spacegroup": 1
}
]
}