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"structure_string": "H16 C20 S2 N4\n1.0\n5.491965 -0.046831 -0.873567\n-1.413372 6.715505 -1.255539\n-0.050446 0.354284 11.000001\nH C S N\n16 20 2 4\ndirect\n0.489212 0.837100 0.228451 H\n0.698678 0.586336 0.798201 H\n0.198676 0.586336 0.298201 H\n0.586755 0.775559 0.012901 H\n0.292538 0.523910 0.083113 H\n0.792536 0.523909 0.583112 H\n0.667807 0.960042 0.850903 H\n0.167804 0.960042 0.350903 H\n0.086753 0.775559 0.512901 H\n0.129611 0.361884 0.428255 H\n0.654817 0.203756 0.348892 H\n0.154822 0.203756 0.848894 H\n0.580412 0.427920 0.180692 H\n0.080414 0.427918 0.680693 H\n0.989215 0.837099 0.728450 H\n0.629612 0.361886 0.928255 H\n0.811802 0.821178 0.363166 C\n0.311805 0.821177 0.863166 C\n0.476492 0.533680 0.444405 C\n0.976493 0.533680 0.944404 C\n0.393552 0.628170 0.346126 C\n0.057746 0.769953 0.806718 C\n0.893554 0.628170 0.846125 C\n0.226553 0.592121 0.005028 C\n0.557743 0.769953 0.306719 C\n0.726549 0.592121 0.505027 C\n0.414453 0.087752 0.746186 C\n0.891928 0.734079 0.465291 C\n0.836909 0.300082 0.083315 C\n0.336909 0.300080 0.583316 C\n0.914449 0.087753 0.246186 C\n0.703636 0.324099 0.176894 C\n0.203637 0.324098 0.676895 C\n0.746114 0.204846 0.268677 C\n0.246117 0.204845 0.768677 C\n0.391931 0.734079 0.965291 C\n0.518844 0.119870 0.606772 S\n0.018845 0.119872 0.106773 S\n0.984243 0.947821 0.314912 N\n0.309245 0.380038 0.473847 N\n0.809245 0.380039 0.973847 N\n0.484247 0.947820 0.814912 N\n",
"nsites": 42,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.5340267440161262,
"density_atomic": 0.10305537194609352,
"volume": 407.5478959211313,
"volume_molar": 5.843597132568768,
"formula_full": "H16 C20 S2 N4",
"formula_reduced": "H8C10SN2",
"formula_anonymous": "AB2C8D10",
"energy_above_hull": 5.623191738095239,
"spacegroup": 1
}
]
}