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"structure_string": "H4 C9 S1 O2\n1.0\n4.181660 -0.006909 -0.920637\n-1.791710 5.590003 0.043901\n-0.147304 0.032955 7.542342\nH C S O\n4 9 1 2\ndirect\n0.556412 0.859814 0.757585 H\n0.694151 0.126355 0.430093 H\n0.077575 0.098211 0.726831 H\n0.146946 0.891816 0.467960 H\n0.578824 0.485397 0.938888 C\n0.653837 0.556348 0.269238 C\n0.092994 0.271441 0.669665 C\n0.875447 0.287909 0.503809 C\n0.337145 0.477878 0.761143 C\n0.887015 0.513588 0.435060 C\n0.363275 0.701527 0.685439 C\n0.135088 0.719769 0.526676 C\n0.473340 0.378764 0.107527 C\n0.196677 0.122475 0.116359 S\n0.594359 0.750183 0.250446 O\n0.881288 0.596294 0.960568 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6670580830963642,
"density_atomic": 0.09116660381446848,
"volume": 175.5028632256754,
"volume_molar": 6.605643413300281,
"formula_full": "H4 C9 S1 O2",
"formula_reduced": "H4C9SO2",
"formula_anonymous": "AB2C4D9",
"energy_above_hull": 5.5578554375,
"spacegroup": 1
}
]
}