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"structure_string": "H10 C17 S1 O1\n1.0\n3.704985 0.021525 0.017536\n0.343973 5.542957 0.007941\n-0.016034 -0.005683 13.395924\nH C S O\n10 17 1 1\ndirect\n0.262609 0.090190 0.206560 H\n0.384880 0.000683 0.370842 H\n0.138474 0.198021 0.035436 H\n0.686660 0.896778 0.806849 H\n0.828833 0.791110 0.304131 H\n0.264262 0.090690 0.729567 H\n0.688233 0.897116 0.129715 H\n0.384681 0.000640 0.565101 H\n0.140692 0.198698 0.900882 H\n0.826888 0.790712 0.632226 H\n0.138707 0.269308 0.190823 C\n0.773443 0.655646 0.968314 C\n0.272004 0.151285 0.415356 C\n0.139590 0.269610 0.745401 C\n0.065463 0.332838 0.091884 C\n0.271871 0.151261 0.520690 C\n0.066568 0.333203 0.844437 C\n0.112267 0.361329 0.373929 C\n0.050392 0.428582 0.270139 C\n0.893842 0.559546 0.068139 C\n0.112041 0.361297 0.562254 C\n0.893994 0.559652 0.868324 C\n0.890314 0.658431 0.690954 C\n0.813524 0.720207 0.147765 C\n0.812694 0.720063 0.788703 C\n0.891324 0.658612 0.245405 C\n0.050210 0.428602 0.666108 C\n0.963051 0.558394 0.468153 S\n0.555977 0.837668 0.968466 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.5839564484238382,
"density_atomic": 0.10545114417269023,
"volume": 275.00887000816846,
"volume_molar": 5.710834915302526,
"formula_full": "H10 C17 S1 O1",
"formula_reduced": "H10C17SO",
"formula_anonymous": "ABC10D17",
"energy_above_hull": 5.875023568965517,
"spacegroup": 6
}
]
}