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"structure_string": "H12 C14 S2 N4\n1.0\n5.437560 -0.011994 -0.078470\n-0.237533 7.269521 -0.477774\n-0.046240 0.031675 7.793779\nH C S N\n12 14 2 4\ndirect\n0.909077 0.080610 0.809782 H\n0.075533 0.734817 0.620264 H\n0.065728 0.750504 0.303196 H\n0.342952 0.489719 0.279205 H\n0.350363 0.478523 0.594160 H\n0.540190 0.495855 0.826338 H\n0.496823 0.566852 0.055680 H\n0.030415 0.237381 0.265937 H\n0.863086 0.004511 0.041342 H\n0.309493 0.977945 0.261251 H\n0.320589 0.988336 0.582246 H\n0.042551 0.248742 0.586748 H\n0.714536 0.604896 0.628902 C\n0.914432 0.682848 0.545726 C\n0.909385 0.690818 0.366668 C\n0.705369 0.619745 0.269118 C\n0.502803 0.545252 0.354245 C\n0.507068 0.538632 0.530032 C\n0.816469 0.642395 0.951883 C\n0.465922 0.042502 0.333673 C\n0.874284 0.185625 0.336550 C\n0.668584 0.107411 0.245021 C\n0.472647 0.048028 0.513384 C\n0.683258 0.118482 0.604146 C\n0.586072 0.129766 0.923838 C\n0.881203 0.191394 0.514531 C\n0.312540 0.235334 0.925222 S\n0.098877 0.748070 0.961145 S\n0.694437 0.576663 0.804676 N\n0.727403 0.102269 0.782023 N\n0.700851 0.070261 0.065255 N\n0.671637 0.614249 0.089772 N\n",
"nsites": 32,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.6189961844344152,
"density_atomic": 0.1038589816115537,
"volume": 308.1100883473345,
"volume_molar": 5.798382255011513,
"formula_full": "H12 C14 S2 N4",
"formula_reduced": "H6C7SN2",
"formula_anonymous": "AB2C6D7",
"energy_above_hull": 5.449389781250001,
"spacegroup": 1
}
]
}