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0.028794 Zn\n0.705572 0.955542 0.367696 Zn\n0.946638 0.406165 0.709082 Zn\n0.272531 0.819238 0.704793 Zn\n0.880000 0.389089 0.017712 Zn\n0.687456 0.652041 0.780797 Zn\n0.695297 0.815370 0.067731 Zn\n0.357438 0.455898 0.613470 Zn\n0.113689 0.732206 0.284824 Zn\n0.155390 0.265958 0.593054 Zn\n0.365291 0.613119 0.940609 Zn\n0.854475 0.744691 0.211870 Zn\n0.927177 0.665853 0.845208 Zn\n0.055954 0.698462 0.468607 Zn\n0.085202 0.819890 0.713227 Zn\n0.613580 0.902881 0.200433 S\n0.356238 0.220024 0.758834 S\n0.403755 0.956382 0.360164 S\n0.626453 0.217817 0.216039 S\n0.210039 0.414194 0.672916 S\n0.251009 0.026162 0.957219 S\n0.858689 0.569466 0.973788 S\n0.728513 0.515319 0.893861 S\n0.835705 0.139032 0.839693 S\n0.152645 0.682108 0.626950 S\n0.028692 0.795203 0.886217 S\n0.612888 0.747633 0.916755 S\n0.068167 0.384698 0.045157 S\n0.475752 0.539532 0.048104 S\n0.909679 0.599166 0.418558 S\n0.860313 0.895667 0.308034 S\n0.532246 0.011436 0.878953 S\n0.215274 0.582571 0.042591 S\n0.428117 0.606376 0.678821 S\n0.603861 0.270796 0.954269 S\n0.649123 0.479409 0.400096 S\n0.576735 0.607962 0.636908 S\n0.071574 0.152745 0.685686 S\n0.862946 0.423735 0.206278 S\n0.352855 0.241059 0.040920 S\n0.972027 0.888057 0.588879 S\n0.436798 0.682221 0.362571 S\n0.774371 0.188039 0.389532 S\n0.612691 0.331933 0.103409 S\n0.829861 0.667882 0.691491 S\n0.232705 0.495250 0.894955 S\n0.100302 0.252256 0.963834 S\n0.392226 0.056167 0.232525 S\n0.946920 0.151591 0.165843 S\n0.845617 0.136439 0.536092 S\n0.152741 0.276543 0.401695 S\n0.395741 0.873786 0.600854 S\n0.704290 0.663693 0.183577 S\n0.669846 0.319248 0.703444 S\n0.109775 0.015739 0.398300 S\n0.378002 0.411642 0.270620 S\n0.206677 0.836333 0.165956 S\n0.164274 0.572745 0.336630 S\n0.334275 0.766510 0.875822 S\n0.700674 0.921812 0.701600 S\n0.990553 0.670353 0.153737 S\n0.460395 0.360420 0.529678 S\n0.020554 0.352002 0.384105 S\n0.546499 0.105890 0.594561 S\n0.815628 0.918916 0.011387 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.478154553705746,"density_atomic":0.042977483871985245,"volume":2326.799779574456,"volume_molar":14.012315792934347,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-333.96034736,"energy_per_atom":-3.3396034736,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-308.81034736,"band_gap":0.8743000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.197000Z","spacegroup":1}]}