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0.026483 S\n0.765351 0.247036 0.541046 S\n0.462289 0.613828 0.515289 S\n0.970388 0.287301 0.737935 S\n0.107807 0.115328 0.296123 S\n0.241468 0.192620 0.698090 S\n0.254351 0.215809 0.111073 S\n0.985311 0.553138 0.580791 S\n0.416451 0.645580 0.238246 S\n0.677884 0.739697 0.650177 S\n0.310026 0.539910 0.026288 S\n0.366056 0.503020 0.571576 S\n0.310304 0.742642 0.275644 S\n0.016635 0.729982 0.209892 S\n0.567662 0.835541 0.404330 S\n0.910106 0.957797 0.011490 S\n0.813991 0.742038 0.576386 S\n0.846092 0.010923 0.447579 S\n0.876603 0.018508 0.738821 S\n0.737454 0.627885 0.341935 S\n0.130740 0.500469 0.339755 S\n0.702918 0.474481 0.591369 S\n0.758471 0.667427 0.048697 S\n0.401247 0.893390 0.553591 S\n0.552034 0.152739 0.713483 S\n0.112619 0.762894 0.920566 S\n0.825618 0.757712 0.934737 S\n0.590996 0.079510 0.220382 S\n0.399214 0.960837 0.787456 S\n0.727646 0.293164 0.863175 S\n0.533837 0.297228 0.645611 S\n0.852674 0.230737 0.278099 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0.759257 0.722228 Zn\n0.722212 0.722212 0.833364 Zn\n0.648151 0.648151 0.055546 Zn\n0.592586 0.592586 0.222242 Zn\n0.555553 0.555553 0.333340 Zn\n0.499998 0.499998 0.500005 Zn\n0.462953 0.462953 0.611142 Zn\n0.407406 0.407406 0.777782 Zn\n0.351852 0.351852 0.944443 Zn\n0.296297 0.296297 0.111108 Zn\n0.240738 0.240738 0.277785 Zn\n0.185185 0.185185 0.444445 Zn\n0.111107 0.111107 0.666679 Zn\n0.037039 0.037039 0.888884 Zn\n0.986117 0.986117 0.041648 S\n0.930567 0.930567 0.208299 S\n0.856493 0.856493 0.430521 S\n0.800920 0.800920 0.597241 S\n0.745400 0.745400 0.763800 S\n0.708345 0.708345 0.874964 S\n0.634271 0.634271 0.097188 S\n0.578730 0.578730 0.263811 S\n0.541677 0.541677 0.374969 S\n0.486139 0.486139 0.541582 S\n0.449081 0.449081 0.652757 S\n0.393519 0.393519 0.819443 S\n0.337958 0.337958 0.986125 S\n0.282421 0.282421 0.152736 S\n0.226848 0.226848 0.319456 S\n0.171315 0.171315 0.486056 S\n0.097234 0.097234 0.708298 S\n0.023176 0.023176 0.930473 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Zn\n0.258513 0.725443 0.505399 Zn\n0.467205 0.012683 0.377304 Zn\n0.810646 0.663814 0.316375 Zn\n0.259593 0.116610 0.236263 Zn\n0.634500 0.487929 0.998266 Zn\n0.790339 0.847570 0.105256 Zn\n0.825563 0.400004 0.735143 Zn\n0.536914 0.880343 0.881481 Zn\n0.120010 0.063435 0.469300 Zn\n0.724201 0.156485 0.740842 Zn\n0.618809 0.044459 0.512427 Zn\n0.584031 0.758345 0.089303 Zn\n0.094350 0.877642 0.787884 Zn\n0.949025 0.031675 0.649513 Zn\n0.326634 0.184929 0.937059 Zn\n0.204936 0.499305 0.060649 Zn\n0.343660 0.012616 0.861185 Zn\n0.183241 0.076771 0.941568 Zn\n0.635076 0.283459 0.610245 Zn\n0.373196 0.765699 0.668266 Zn\n0.520762 0.413940 0.523756 Zn\n0.073171 0.659729 0.889409 Zn\n0.476869 0.267778 0.888213 Zn\n0.830225 0.335636 0.230377 Zn\n0.889496 0.212231 0.638786 Zn\n0.328004 0.289023 0.770323 Zn\n0.735571 0.598982 0.573301 Zn\n0.572813 0.947549 0.653504 Zn\n0.846596 0.140355 0.161316 Zn\n0.503726 0.235159 0.229092 Zn\n0.572576 0.447275 0.722577 Zn\n0.387479 0.697834 0.994208 Zn\n0.696223 0.157708 0.344705 Zn\n0.337502 0.399506 0.528222 Zn\n0.306787 0.545588 0.788839 Zn\n0.891183 0.120243 0.468925 Zn\n0.743013 0.649112 0.890021 Zn\n0.617538 0.911515 0.349180 Zn\n0.427443 0.509686 0.189508 Zn\n0.988222 0.609318 0.502576 Zn\n0.147105 0.511413 0.357695 Zn\n0.065167 0.327057 0.188491 Zn\n0.035193 0.952610 0.097247 Zn\n0.922196 0.456010 0.018610 Zn\n0.087420 0.403510 0.616310 Zn\n0.544883 0.134356 0.684487 Zn\n0.442289 0.851769 0.022755 S\n0.607591 0.359503 0.884350 S\n0.217617 0.987991 0.346762 S\n0.855608 0.243920 0.815725 S\n0.266852 0.377041 0.352666 S\n0.131650 0.082902 0.106827 S\n0.045824 0.790256 0.179655 S\n0.783947 0.555393 0.034933 S\n0.799519 -0.005283 0.735150 S\n0.979939 0.473219 0.737461 S\n0.027226 0.787299 0.012703 S\n0.535328 0.805137 0.716029 S\n0.047375 0.039621 0.828946 S\n0.521239 0.598621 0.069759 S\n0.840565 0.694107 0.498374 S\n0.927006 0.296918 0.085062 S\n0.502389 0.064553 0.853817 S\n0.037375 0.487883 0.894526 S\n0.441962 0.591089 0.715879 S\n0.352074 0.418233 0.036214 S\n0.377495 0.686374 0.385163 S\n0.720558 0.546537 0.743452 S\n0.328396 0.973573 0.468025 S\n0.904349 0.786157 0.231856 S\n0.424852 0.087031 0.217971 S\n0.061664 0.932594 0.552366 S\n0.309155 0.617295 0.254212 S\n0.563655 0.199923 0.445950 S\n0.800042 0.489576 0.301778 S\n0.023691 0.738534 0.743116 S\n0.694371 0.803240 0.953953 S\n0.244812 0.419396 0.685392 S\n0.260571 0.153560 0.664978 S\n0.930656 0.190211 0.317563 S\n0.144798 0.207390 0.571992 S\n0.174727 0.259678 0.312472 S\n0.592342 0.572820 0.478840 S\n0.681549 0.788231 0.242700 S\n0.786123 0.337253 0.562324 S\n0.271651 0.877709 0.787316 S\n0.364301 0.273869 0.091929 S\n0.119668 0.670716 0.425868 S\n0.078194 0.497455 0.161657 S\n0.248376 0.621248 0.936929 S\n0.692818 0.225364 0.183769 S\n0.762491 0.013830 0.421349 S\n0.511538 0.395357 0.295851 S\n0.018878 0.443170 0.458218 S\n0.391255 0.209090 0.605388 S\n0.868084 0.999569 0.060654 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.4310130417864126,"density_atomic":0.04239498429155241,"volume":2358.769596712079,"volume_molar":14.204842531808573,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-331.82151107,"energy_per_atom":-3.3182151106999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-306.67151107,"band_gap":1.2384,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:39:02.313000Z","spacegroup":1}]}