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{
"id": "jvasp-97856",
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"structure_string": "B2 H22 C8 Br2 N2 F8\n1.0\n5.634249 0.000000 -1.476690\n0.000000 7.609273 0.000000\n-0.041421 0.000000 9.329095\nB H C Br N F\n2 22 8 2 2 8\ndirect\n0.053402 0.750000 0.759320 B\n0.946598 0.250000 0.240680 B\n0.762249 0.415157 0.757792 H\n0.288888 0.596156 0.060371 H\n0.249655 0.369210 0.586170 H\n0.750345 0.630790 0.413831 H\n0.174411 0.368342 0.823641 H\n0.711112 0.096156 0.939630 H\n0.825589 0.868341 0.176360 H\n0.825589 0.631658 0.176360 H\n0.514180 0.527780 0.794146 H\n0.711112 0.403844 0.939630 H\n0.514180 0.972219 0.794146 H\n0.237751 0.915156 0.242208 H\n0.237751 0.584843 0.242208 H\n0.249655 0.130790 0.586170 H\n0.485820 0.472219 0.205855 H\n0.288888 0.903844 0.060371 H\n0.635878 0.750000 0.024314 H\n0.762249 0.084843 0.757792 H\n0.174411 0.131658 0.823641 H\n0.485820 0.027780 0.205855 H\n0.364122 0.250000 0.975686 H\n0.750345 0.869210 0.413831 H\n0.643426 0.750000 0.387025 C\n0.628222 0.412174 0.820608 C\n0.371778 0.912174 0.179393 C\n0.718607 0.750000 0.143350 C\n0.356575 0.250000 0.612975 C\n0.281394 0.250000 0.856651 C\n0.371778 0.587825 0.179393 C\n0.628222 0.087826 0.820608 C\n0.583912 0.250000 0.491361 Br\n0.416088 0.750000 0.508640 Br\n0.522504 0.750000 0.222910 N\n0.477496 0.250000 0.777090 N\n0.989539 0.097721 0.331042 F\n0.910583 0.750000 0.860731 F\n0.010461 0.597721 0.668959 F\n0.297444 0.750000 0.841447 F\n0.702556 0.250000 0.158554 F\n0.089418 0.250000 0.139270 F\n0.989539 0.402278 0.331042 F\n0.010461 0.902278 0.668959 F\n",
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{
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"structure_string": "B2 H22 C8 N2 Cl2 F8\n1.0\n5.742150 0.000000 -1.340666\n0.000000 7.579643 0.000000\n-0.042318 0.000000 9.166943\nB H C N Cl F\n2 22 8 2 2 8\ndirect\n0.058891 0.750000 0.757262 B\n0.941108 0.250000 0.242737 B\n0.248125 0.369414 0.583677 H\n0.243185 0.584929 0.257037 H\n0.756815 0.084929 0.742963 H\n0.484763 0.470839 0.212896 H\n0.515237 0.970839 0.787103 H\n0.626448 0.750000 0.022441 H\n0.183329 0.131034 0.827807 H\n0.288412 0.904549 0.069723 H\n0.243185 0.915071 0.257037 H\n0.484763 0.029161 0.212896 H\n0.756815 0.415071 0.742963 H\n0.711588 0.404549 0.930276 H\n0.816671 0.631034 0.172192 H\n0.515237 0.529161 0.787103 H\n0.248125 0.130586 0.583677 H\n0.816671 0.868966 0.172192 H\n0.751875 0.869414 0.416322 H\n0.373551 0.250000 0.977558 H\n0.288412 0.595451 0.069723 H\n0.183329 0.368966 0.827807 H\n0.751875 0.630585 0.416322 H\n0.711588 0.095451 0.930276 H\n0.373287 0.912274 0.189264 C\n0.355330 0.250000 0.606697 C\n0.626713 0.412275 0.810736 C\n0.710479 0.750000 0.142001 C\n0.373287 0.587725 0.189264 C\n0.626713 0.087725 0.810736 C\n0.644670 0.750000 0.393302 C\n0.289520 0.250000 0.857998 C\n0.521946 0.750000 0.228806 N\n0.478053 0.250000 0.771193 N\n0.444424 0.750000 0.510626 Cl\n0.555576 0.250000 0.489373 Cl\n0.704002 0.250000 0.159780 F\n0.913325 0.750000 0.859674 F\n0.086675 0.250000 0.140325 F\n0.295998 0.750000 0.840219 F\n0.019601 0.597170 0.666056 F\n0.019601 0.902829 0.666056 F\n0.980399 0.402829 0.333943 F\n0.980399 0.097171 0.333943 F\n",
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{
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{
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"structure_string": "Rb4 H16 S4 N4 O16\n1.0\n6.080665 -0.000000 0.000000\n0.000000 7.612053 0.000000\n0.000000 0.000000 10.603413\nRb H S N O\n4 16 4 4 16\ndirect\n0.750001 0.822823 0.601463 Rb\n0.250000 0.677177 0.101463 Rb\n0.750001 0.322823 0.898537 Rb\n0.250000 0.177177 0.398537 Rb\n0.250000 0.587718 0.654251 H\n0.750001 0.514756 0.201867 H\n0.113377 0.392724 0.676197 H\n0.613377 0.107276 0.176197 H\n0.250000 0.485244 0.798132 H\n0.750001 0.912282 0.154251 H\n0.113377 0.892724 0.823803 H\n0.750001 0.412282 0.345749 H\n0.613377 0.607276 0.323803 H\n0.886624 0.607276 0.323803 H\n0.886624 0.107276 0.176197 H\n0.250000 0.087718 0.845749 H\n0.250000 0.985244 0.701867 H\n0.386623 0.892724 0.823803 H\n0.750001 0.014756 0.298132 H\n0.386623 0.392724 0.676197 H\n0.750001 0.766709 0.927245 S\n0.250000 0.733291 0.427245 S\n0.750001 0.266709 0.572754 S\n0.250000 0.233291 0.072754 S\n0.250000 0.967261 0.798162 N\n0.750001 0.532738 0.298162 N\n0.750001 0.032739 0.201837 N\n0.250000 0.467261 0.701837 N\n0.450333 0.308530 0.133847 O\n0.750001 0.959443 0.913527 O\n0.250000 0.284045 0.936133 O\n0.049667 0.308530 0.133847 O\n0.750001 0.459443 0.586473 O\n0.750001 0.715954 0.063866 O\n0.549667 0.191470 0.633847 O\n0.450333 0.808529 0.366153 O\n0.250000 0.784045 0.563866 O\n0.549667 0.691470 0.866153 O\n0.950334 0.191470 0.633847 O\n0.250000 0.540557 0.413527 O\n0.950334 0.691470 0.866153 O\n0.750001 0.215955 0.436134 O\n0.250000 0.040557 0.086473 O\n0.049667 0.808529 0.366153 O\n",
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"structure_string": "Li1 V1 Cr1 P4 O14\n1.0\n4.816677 0.000959 0.017819\n-2.144649 -6.609239 0.021759\n-0.070203 0.046757 -7.963550\nLi V Cr P O\n1 1 1 4 14\ndirect\n0.157958 0.674066 0.632880 Li\n0.779536 0.270018 0.492115 V\n0.213282 0.727059 0.000735 Cr\n0.598043 0.484137 0.823420 P\n0.793226 0.909457 0.218908 P\n0.223059 0.091530 0.722049 P\n0.393250 0.518656 0.313980 P\n0.161973 0.486137 0.451502 O\n0.269511 0.512835 0.138431 O\n0.383333 0.606978 0.812248 O\n0.602683 0.905654 0.064393 O\n0.609008 0.742093 0.353367 O\n0.412449 0.251002 0.857073 O\n0.741441 0.484841 0.650495 O\n0.574421 0.372619 0.330744 O\n0.122717 0.888197 0.808464 O\n0.819308 0.542077 0.964549 O\n0.867424 0.105504 0.322805 O\n0.967565 0.165053 0.667383 O\n0.413663 0.079713 0.570494 O\n0.072183 0.859533 0.181986 O\n",
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{
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"updated_at": "2022-09-04T14:37:43.825456Z",
"structure_string": "Ca4 Ga4 B4 O16\n1.0\n5.896721 0.000000 0.000000\n0.000000 7.354268 -3.942112\n0.000000 -0.004292 8.822984\nCa Ga B O\n4 4 4 16\ndirect\n0.899702 0.448096 0.180885 Ca\n0.399703 0.732789 0.180885 Ca\n0.899702 0.551904 0.819115 Ca\n0.399703 0.267212 0.819115 Ca\n0.627509 0.224748 0.411633 Ga\n0.127509 0.813116 0.588367 Ga\n0.127509 0.186885 0.411633 Ga\n0.627509 0.775252 0.588367 Ga\n0.358463 0.651821 0.784710 B\n0.858463 0.132889 0.784710 B\n0.358463 0.348180 0.215290 B\n0.858463 0.867111 0.215290 B\n0.166564 0.719166 0.742595 O\n0.666564 0.023429 0.742594 O\n0.882780 0.309549 0.543644 O\n0.075887 0.064156 0.729602 O\n0.666564 0.976572 0.257406 O\n0.575886 0.334553 0.270398 O\n0.382780 0.234095 0.543643 O\n0.323095 0.428798 0.113533 O\n0.075887 0.935844 0.270398 O\n0.323095 0.571203 0.886467 O\n0.823095 0.315267 0.886467 O\n0.882780 0.690451 0.456357 O\n0.823095 0.684734 0.113533 O\n0.166564 0.280834 0.257406 O\n0.382780 0.765906 0.456357 O\n0.575886 0.665448 0.729602 O\n",
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{
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"structure_string": "Rb3 H3 Se3 O12\n1.0\n-4.631904 0.003311 0.003781\n-0.077088 -7.516054 -0.003675\n2.228007 3.732364 9.636576\nRb H Se O\n3 3 3 12\ndirect\n0.997883 0.492660 0.000268 Rb\n0.427913 0.919944 0.670295 Rb\n0.570698 0.251099 0.328702 Rb\n0.457083 0.873156 0.008111 H\n0.852890 0.554277 0.685036 H\n0.147236 0.870641 0.316379 H\n0.989522 0.001218 0.997150 Se\n0.295312 0.407016 0.665143 Se\n0.706943 0.742462 0.334527 Se\n0.929833 0.848872 0.260355 O\n0.070532 0.588447 0.740264 O\n0.918456 0.691763 0.461423 O\n0.085079 0.231694 0.537813 O\n0.475646 0.908672 0.393667 O\n0.290593 0.891350 0.064303 O\n0.945629 0.187608 0.131101 O\n0.065671 0.060863 0.871439 O\n0.468027 0.346506 0.795222 O\n0.706295 0.834714 0.935652 O\n0.524728 0.513551 0.606590 O\n0.536121 0.553897 0.203775 O\n",
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{
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