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{
"id": "mp-504314",
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{
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"structure_string": "Ca16 Mg1 Al14 Si9 O56\n1.0\n6.793461 0.028513 -0.072396\n0.025673 7.149068 -0.137868\n0.231994 -0.506266 27.776198\nCa Mg Al Si O\n16 1 14 9 56\ndirect\n0.205476 0.087690 0.164946 Ca\n0.256441 0.315767 0.425373 Ca\n0.323456 0.691826 0.020036 Ca\n0.302580 0.660585 0.778459 Ca\n0.516466 0.058991 0.732123 Ca\n0.209207 0.621942 0.294000 Ca\n0.536187 0.077683 0.972898 Ca\n0.279422 0.581942 0.540605 Ca\n0.759883 0.304657 0.091080 Ca\n0.607565 0.045154 0.341482 Ca\n0.595542 0.795714 0.466739 Ca\n0.705228 0.163178 0.847842 Ca\n0.497144 0.551622 0.657918 Ca\n0.473162 0.623161 0.184152 Ca\n0.497237 0.569716 0.892760 Ca\n0.712978 0.187368 0.603293 Ca\n0.943281 0.943526 0.241466 Mg\n0.016097 0.039719 0.987997 Al\n0.102317 0.636928 0.122214 Al\n0.031872 0.945110 0.505503 Al\n0.002927 0.011389 0.748753 Al\n0.010898 0.531811 0.877273 Al\n0.747240 0.311336 0.478966 Al\n0.809226 0.371626 0.728514 Al\n0.813660 0.396796 0.965774 Al\n0.534719 0.925395 0.110706 Al\n0.214527 0.894783 0.900536 Al\n0.222235 0.804847 0.408108 Al\n0.207731 0.864354 0.659828 Al\n0.911706 0.466078 0.374152 Al\n0.017428 0.494547 0.645849 Al\n0.801643 0.725337 0.040014 Si\n0.928305 0.405456 0.202207 Si\n0.706162 0.636097 0.284208 Si\n0.779791 0.625901 0.561345 Si\n0.759466 0.715882 0.797896 Si\n0.230474 0.235499 0.067188 Si\n0.112020 0.097089 0.342675 Si\n0.251810 0.216663 0.828438 Si\n0.246144 0.183042 0.589155 Si\n0.691610 0.562305 0.006052 O\n0.502977 0.547952 0.263151 O\n0.819012 0.416794 0.536206 O\n0.679140 0.560140 0.757686 O\n0.197229 0.819451 0.209555 O\n0.109650 0.928358 0.302293 O\n0.142952 0.592908 0.376650 O\n0.242346 0.140715 0.010983 O\n0.376116 0.795980 0.705357 O\n0.218746 0.463187 0.067562 O\n0.314023 0.777388 0.109011 O\n0.203307 0.792614 0.472260 O\n0.318803 0.214604 0.345848 O\n0.425800 0.370415 0.822572 O\n0.200702 0.687754 0.862330 O\n0.223449 0.105080 0.775204 O\n0.419055 0.341030 0.586993 O\n0.196826 0.648304 0.625523 O\n0.185038 0.111835 0.534465 O\n0.390036 0.817865 0.943943 O\n0.045341 0.151519 0.095627 O\n0.018584 0.814953 0.173880 O\n0.921244 0.245388 0.339625 O\n0.045119 0.275147 0.614091 O\n0.080897 0.008651 0.396946 O\n0.040809 0.314269 0.844408 O\n0.998383 0.960745 0.687150 O\n0.998658 0.989485 0.925946 O\n0.994027 0.821594 0.016375 O\n0.129473 0.461667 0.169445 O\n0.902369 0.405564 0.434732 O\n0.905697 0.551502 0.252234 O\n0.955839 0.768319 0.545608 O\n0.032259 0.460971 0.707668 O\n0.970988 0.804928 0.782033 O\n0.015371 0.495519 0.938671 O\n0.829773 0.203490 0.004393 O\n0.983537 0.199373 0.220716 O\n0.747221 0.597566 0.340843 O\n0.871450 0.628313 0.089661 O\n0.731756 0.422388 0.169639 O\n0.701638 0.862349 0.275561 O\n0.812804 0.172664 0.765176 O\n0.788263 0.619083 0.851204 O\n0.637277 0.314619 0.922944 O\n0.586981 0.874176 0.803453 O\n0.618653 0.878069 0.047316 O\n0.806671 0.060020 0.486665 O\n0.792935 0.586265 0.620131 O\n0.507279 0.402709 0.468545 O\n0.647167 0.289176 0.681818 O\n0.571046 0.722336 0.547816 O\n0.435968 0.169027 0.095183 O\n0.468640 0.865304 0.397002 O\n0.336826 0.018910 0.622601 O\n0.332584 0.073058 0.868784 O\n",
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{
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"created_at": "2022-09-04T14:39:05.750373Z",
"structure_string": "U2 H32 C8 N4 O12\n1.0\n7.144256 0.000000 0.000000\n0.000000 7.836552 0.000000\n0.000000 2.127627 9.674532\nU H C N O\n2 32 8 4 12\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.000000 0.500000 U\n0.844367 0.161011 0.244806 H\n0.344367 0.838989 0.255194 H\n0.155633 0.838989 0.755194 H\n0.655633 0.161011 0.744806 H\n0.066354 0.155271 0.252729 H\n0.566354 0.844729 0.247271 H\n0.933646 0.844729 0.747271 H\n0.433646 0.155271 0.752729 H\n0.972566 0.295001 0.461828 H\n0.472566 0.704999 0.038172 H\n0.027434 0.704999 0.538172 H\n0.527434 0.295001 0.961828 H\n0.605847 0.691358 0.886732 H\n0.105847 0.308642 0.613268 H\n0.394153 0.308642 0.113268 H\n0.894153 0.691358 0.386732 H\n0.949013 0.899250 0.421846 H\n0.449013 0.100750 0.078154 H\n0.050987 0.100750 0.578154 H\n0.550987 0.899250 0.921846 H\n0.709507 0.525696 0.193406 H\n0.209507 0.474304 0.306594 H\n0.290493 0.474304 0.806594 H\n0.790493 0.525696 0.693406 H\n0.951837 0.585424 0.163934 H\n0.451837 0.414576 0.336066 H\n0.048163 0.414576 0.836066 H\n0.548163 0.585424 0.663934 H\n0.823260 0.501485 0.037966 H\n0.323260 0.498515 0.462034 H\n0.176740 0.498515 0.962034 H\n0.676740 0.501485 0.537966 H\n0.586697 0.763962 0.968642 C\n0.086697 0.236038 0.531358 C\n0.413303 0.236038 0.031358 C\n0.913303 0.763962 0.468642 C\n0.814957 0.582628 0.115113 C\n0.314957 0.417372 0.384887 C\n0.185043 0.417372 0.884887 C\n0.685043 0.582628 0.615113 C\n0.762718 0.760957 0.045326 N\n0.262718 0.239043 0.454674 N\n0.237282 0.239043 0.954674 N\n0.737282 0.760957 0.545326 N\n0.165330 0.857212 0.116521 O\n0.665330 0.142788 0.383479 O\n0.834670 0.142788 0.883479 O\n0.334670 0.857212 0.616521 O\n0.957496 0.170572 0.186504 O\n0.457496 0.829428 0.313496 O\n0.042504 0.829428 0.813496 O\n0.542504 0.170572 0.686504 O\n0.753233 0.872706 0.139150 O\n0.253233 0.127294 0.360850 O\n0.246767 0.127294 0.860850 O\n0.746767 0.872706 0.639150 O\n",
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{
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"created_at": "2022-09-04T14:39:05.751903Z",
"structure_string": "Cs3 Cu8 Se6\n1.0\n-0.000277 -4.036930 -0.000260\n-9.234724 2.017958 2.736290\n0.092337 -0.000635 -10.527122\nCs Cu Se\n3 8 6\ndirect\n0.500039 0.000059 0.999994 Cs\n0.688019 0.376094 0.304392 Cs\n0.311848 0.623633 0.695579 Cs\n0.296124 0.592502 0.071847 Cu\n0.703729 0.407246 0.928068 Cu\n0.889056 0.777952 0.220553 Cu\n0.111041 0.222218 0.779331 Cu\n0.524923 0.050024 0.645471 Cu\n0.475174 0.950134 0.354579 Cu\n0.080271 0.160654 0.533556 Cu\n0.919819 0.839534 0.466675 Cu\n0.838672 0.677573 0.985533 Se\n0.161290 0.322391 0.014528 Se\n0.029975 0.059885 0.299245 Se\n0.969993 0.940007 0.700701 Se\n0.652292 0.304654 0.648937 Se\n0.347737 0.695442 0.351011 Se\n",
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{
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{
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{
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{
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{
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}