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{
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{
"id": "jvasp-112245",
"created_at": "2022-09-04T14:38:45.971166Z",
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"structure_string": "H24 C16 O12\n1.0\n8.312042 0.000000 -3.327851\n0.000000 4.605828 0.000000\n-0.205945 0.000000 11.256383\nH C O\n24 16 12\ndirect\n0.854302 0.926442 0.488740 H\n0.908583 0.053838 0.902087 H\n0.091416 0.946162 0.097913 H\n0.091416 0.553838 0.597912 H\n0.908583 0.446162 0.402087 H\n0.690524 0.083876 0.799460 H\n0.309476 0.916125 0.200539 H\n0.309475 0.583876 0.700539 H\n0.690524 0.416125 0.299461 H\n0.390724 0.647197 0.493429 H\n0.390723 0.852804 0.993429 H\n0.609276 0.147197 0.006571 H\n0.609276 0.352804 0.506571 H\n0.984642 0.277471 0.226691 H\n0.145697 0.073559 0.511260 H\n0.015357 0.722529 0.773309 H\n0.854302 0.573559 -0.011260 H\n0.636614 0.891132 0.384839 H\n0.363385 0.108868 0.615160 H\n0.145698 0.426442 0.011260 H\n0.636614 0.608868 0.884839 H\n0.015357 0.777472 0.273309 H\n0.984642 0.222529 0.726690 H\n0.363385 0.391132 0.115160 H\n0.206347 0.445068 0.649686 C\n0.761488 0.663400 0.901838 C\n0.238511 0.336601 0.098162 C\n0.238511 0.163399 0.598162 C\n0.761489 0.836601 0.401838 C\n0.793652 0.945068 0.850313 C\n0.206347 0.054932 0.149686 C\n0.793652 0.554933 0.350313 C\n0.328180 0.094073 0.841124 C\n0.194552 0.334345 0.216562 C\n0.194551 0.165655 0.716562 C\n0.805448 0.834345 0.283438 C\n0.671818 0.594073 0.658875 C\n0.328181 0.405928 0.341125 C\n0.671819 0.905928 0.158875 C\n0.805448 0.665656 0.783437 C\n0.039132 0.062415 0.699498 O\n0.960868 0.937586 0.300502 O\n0.536405 0.713620 0.624589 O\n0.463595 0.286380 0.375411 O\n0.463594 0.213620 0.875411 O\n0.292775 0.609769 0.408841 O\n0.707224 0.390231 0.591158 O\n0.292775 0.890231 0.908841 O\n0.707224 0.109769 0.091158 O\n0.039132 0.437586 0.199498 O\n0.536405 0.786381 0.124589 O\n0.960867 0.562415 0.800501 O\n",
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{
"id": "jvasp-98645",
"created_at": "2022-09-04T14:35:59.933448Z",
"updated_at": "2022-09-04T14:35:59.933467Z",
"structure_string": "Mn4 H24 O12 F12\n1.0\n8.358652 0.000000 -1.462411\n0.000000 9.347799 0.000000\n0.043594 0.000000 6.361139\nMn H O F\n4 24 12 12\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.000000 0.500000 Mn\n0.328798 0.075917 0.544338 H\n0.171202 0.575917 0.455662 H\n0.828798 0.424083 0.544338 H\n0.262498 0.046063 0.296030 H\n0.237501 0.546063 0.703970 H\n0.737501 0.953938 0.703970 H\n0.762498 0.453937 0.296030 H\n0.015027 0.220205 0.759673 H\n0.484972 0.720205 0.240327 H\n0.984972 0.779795 0.240327 H\n0.515027 0.279795 0.759673 H\n0.671201 0.924083 0.455662 H\n0.368959 0.595831 0.124386 H\n0.038434 0.255549 0.242498 H\n0.461565 0.755549 0.757502 H\n0.538434 0.244451 0.242498 H\n0.214064 0.318181 0.240823 H\n0.961565 0.744451 0.757502 H\n0.785935 0.681819 0.759177 H\n0.714064 0.181819 0.240823 H\n0.631041 0.404169 0.875615 H\n0.868958 0.904169 0.124386 H\n0.285935 0.818181 0.759177 H\n0.131041 0.095831 0.875614 H\n0.467138 0.614565 0.230647 O\n0.231245 0.063100 0.436605 O\n0.268754 0.563100 0.563395 O\n0.768754 0.936900 0.563395 O\n0.731245 0.436900 0.436605 O\n0.032862 0.114565 0.769353 O\n0.967138 0.885435 0.230647 O\n0.603914 0.185354 0.161156 O\n0.896085 0.685354 0.838844 O\n0.396086 0.814646 0.838844 O\n0.103914 0.314646 0.161156 O\n0.532862 0.385435 0.769353 O\n0.091010 0.843001 0.650853 F\n0.408990 0.343001 0.349147 F\n0.520781 0.893835 0.257909 F\n0.979218 0.393835 0.742091 F\n0.479218 0.106165 0.742091 F\n0.295820 0.056459 0.037721 F\n0.204180 0.556459 0.962279 F\n0.704179 0.943541 0.962279 F\n0.795820 0.443541 0.037721 F\n0.591010 0.656999 0.650853 F\n0.020781 0.606165 0.257909 F\n0.908990 0.156999 0.349147 F\n",
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{
"id": "jvasp-24284",
"created_at": "2022-09-04T14:38:20.160484Z",
"updated_at": "2022-09-04T14:38:20.160506Z",
"structure_string": "Rb8 Al8 B8 O28\n1.0\n0.000000 8.863194 -0.095884\n7.627686 0.000000 0.000000\n0.000000 -2.761907 -11.499283\nRb Al B O\n8 8 8 28\ndirect\n0.970605 0.357053 0.874696 Rb\n0.029394 0.857054 0.625304 Rb\n0.544204 0.864615 0.144881 Rb\n0.455795 0.364615 0.355119 Rb\n0.544204 0.635386 0.644880 Rb\n0.029394 0.642947 0.125304 Rb\n0.970605 0.142947 0.374696 Rb\n0.455795 0.135385 0.855119 Rb\n0.656474 0.125637 0.621029 Al\n0.814939 0.915130 0.864565 Al\n0.185060 0.084870 0.135435 Al\n0.185060 0.415130 0.635435 Al\n0.343525 0.625637 0.878970 Al\n0.656474 0.374364 0.121029 Al\n0.343525 0.874364 0.378970 Al\n0.814939 0.584871 0.364565 Al\n0.313877 0.390573 0.065318 B\n0.158676 0.917728 0.908745 B\n0.686122 0.890573 0.434682 B\n0.841323 0.082272 0.091255 B\n0.158677 0.582272 0.408745 B\n0.313877 0.109427 0.565317 B\n0.841323 0.417728 0.591255 B\n0.686122 0.609428 0.934682 B\n0.761245 0.322538 0.658404 O\n0.280297 0.541541 0.000770 O\n0.238754 0.822538 0.841595 O\n0.804602 0.686455 0.892999 O\n0.234877 0.969732 0.018009 O\n0.719702 0.041541 0.499230 O\n0.991869 0.033605 0.138985 O\n0.238754 0.677463 0.341595 O\n0.195396 0.186454 0.607000 O\n0.458331 0.185640 0.588131 O\n0.008130 0.966396 0.861015 O\n0.690626 0.524687 0.234716 O\n0.761245 0.177462 0.158404 O\n0.804603 0.813546 0.392999 O\n0.458331 0.314360 0.088132 O\n0.765122 0.469732 0.481991 O\n0.765122 0.030269 0.981991 O\n0.195397 0.313546 0.107000 O\n0.991869 0.466396 0.638985 O\n0.541668 0.814360 0.411868 O\n0.008130 0.533605 0.361015 O\n0.719702 0.458459 -0.000770 O\n0.309373 0.024687 0.265284 O\n0.280297 0.958460 0.500770 O\n0.309373 0.475314 0.765284 O\n0.234877 0.530269 0.518008 O\n0.541668 0.685640 0.911868 O\n0.690626 0.975314 0.734716 O\n",
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"formula_full": "Rb8 Al8 B8 O28",
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{
"id": "jvasp-98785",
"created_at": "2022-09-04T14:35:56.194789Z",
"updated_at": "2022-09-04T14:35:56.194812Z",
"structure_string": "K8 C4 S8 O24 F8\n1.0\n6.029271 0.000000 0.000000\n0.000000 9.218072 -3.633318\n0.000000 -0.439237 14.356431\nK C S O F\n8 4 8 24 8\ndirect\n0.281402 0.954490 0.664116 K\n0.269648 0.718221 0.333540 K\n0.730352 0.281778 0.666460 K\n0.769648 0.281778 0.166460 K\n0.218598 0.954490 0.164116 K\n0.230352 0.718221 0.833540 K\n0.718598 0.045509 0.335883 K\n0.781402 0.045509 0.835883 K\n0.299059 0.316646 0.461594 C\n0.700941 0.683353 0.538406 C\n0.200941 0.316646 0.961594 C\n0.799059 0.683354 0.038406 C\n0.711587 0.852902 0.019882 S\n0.288412 0.147097 0.980117 S\n0.749414 0.694897 0.170250 S\n0.788412 0.852902 0.519882 S\n0.250585 0.305102 0.829749 S\n0.249415 0.305102 0.329749 S\n0.750585 0.694897 0.670250 S\n0.211588 0.147097 0.480117 S\n0.026600 0.834516 0.500832 O\n0.436625 0.214735 0.273304 O\n0.563375 0.785265 0.726696 O\n0.269914 0.026820 0.383869 O\n0.230085 0.026820 0.883869 O\n0.063375 0.214734 0.773304 O\n0.749191 0.545580 0.664924 O\n0.750809 0.545580 0.164924 O\n0.250809 0.454420 0.335075 O\n0.473400 0.834516 0.000832 O\n0.526600 0.165484 0.999167 O\n0.534449 0.769674 0.197758 O\n0.034449 0.230326 0.302242 O\n0.730085 0.973180 0.616130 O\n0.965551 0.769673 0.697758 O\n0.249191 0.454420 0.835075 O\n0.936624 0.785265 0.226696 O\n0.973400 0.165484 0.499168 O\n0.769914 0.973180 0.116130 O\n0.156436 0.152675 0.066762 O\n0.843564 0.847324 0.933237 O\n0.343564 0.152675 0.566762 O\n0.465551 0.230326 0.802242 O\n0.656436 0.847324 0.433237 O\n0.975083 0.333359 0.979668 F\n0.524917 0.333359 0.479668 F\n0.804547 0.564378 0.468512 F\n0.024917 0.666641 0.020332 F\n0.195453 0.435622 0.531487 F\n0.304547 0.435622 0.031487 F\n0.695453 0.564377 0.968512 F\n0.475083 0.666641 0.520332 F\n",
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{
"id": "jvasp-24834",
"created_at": "2022-09-04T14:38:14.680795Z",
"updated_at": "2022-09-04T14:38:14.680811Z",
"structure_string": "Si12 P4 H36\n1.0\n0.000000 5.997034 -0.078879\n12.662064 0.000000 0.000000\n0.000000 -0.729291 -9.438724\nSi P H\n12 4 36\ndirect\n0.888888 0.887743 0.664150 Si\n0.701091 0.954435 0.196514 Si\n0.701091 0.545565 0.696514 Si\n0.298908 0.045565 0.803485 Si\n0.289823 0.719902 0.379738 Si\n0.710176 0.219902 0.120262 Si\n0.298908 0.454435 0.303485 Si\n0.289823 0.780097 0.879738 Si\n0.888888 0.612256 0.164151 Si\n0.111112 0.112256 0.335849 Si\n0.111112 0.387743 0.835849 Si\n0.710176 0.280097 0.620262 Si\n0.269024 0.888764 0.687637 P\n0.730975 0.388764 0.812362 P\n0.730975 0.111236 0.312363 P\n0.269024 0.611236 0.187637 P\n0.533991 0.441885 0.364772 H\n0.141171 0.054535 0.919621 H\n0.248726 0.368539 0.197377 H\n0.751274 0.868539 0.302622 H\n0.751274 0.631460 0.802622 H\n0.248726 0.131461 0.697377 H\n0.466008 0.941885 0.135228 H\n0.471347 0.228427 0.066347 H\n0.533991 0.058115 0.864771 H\n0.151206 0.680075 0.494710 H\n0.848794 0.180075 0.005290 H\n0.848794 0.319925 0.505290 H\n0.151206 0.819924 0.994710 H\n0.528652 0.728427 0.433653 H\n0.858829 0.554535 0.580378 H\n0.466008 0.558115 0.635228 H\n0.858829 0.945465 0.080379 H\n0.208419 0.393119 0.694099 H\n0.204670 0.825609 0.329730 H\n0.808889 0.980583 0.576876 H\n0.191111 0.480583 0.923124 H\n0.191111 0.019417 0.423124 H\n0.808889 0.519417 0.076876 H\n0.817073 0.787388 0.591399 H\n0.182926 0.287388 0.908601 H\n0.182926 0.212612 0.408601 H\n0.817073 0.712612 0.091399 H\n0.791580 0.893119 0.805900 H\n0.471348 0.271573 0.566347 H\n0.208419 0.106881 0.194100 H\n0.791580 0.606881 0.305900 H\n0.204670 0.674390 0.829730 H\n0.795329 0.174391 0.670270 H\n0.795329 0.325609 0.170270 H\n0.141171 0.445465 0.419621 H\n0.528652 0.771573 0.933653 H\n",
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"formula_full": "Si12 P4 H36",
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},
{
"id": "jvasp-25639",
"created_at": "2022-09-04T14:38:13.490683Z",
"updated_at": "2022-09-04T14:38:13.490709Z",
"structure_string": "Na12 Sc4 Si8 O28\n1.0\n5.371070 0.000000 0.000000\n-0.000000 9.401914 0.000000\n0.000000 0.000000 13.109830\nNa Sc Si O\n12 4 8 28\ndirect\n0.018669 0.348358 0.403725 Na\n0.016496 0.020938 0.250000 Na\n0.981331 0.651642 0.596275 Na\n0.481331 0.848358 0.403725 Na\n0.518669 0.151642 0.903725 Na\n0.018669 0.348358 0.096275 Na\n0.516496 0.479062 0.750000 Na\n0.481331 0.848358 0.096275 Na\n0.983504 0.979061 0.750000 Na\n0.518669 0.151642 0.596275 Na\n0.981331 0.651642 0.903725 Na\n0.483504 0.520938 0.250000 Na\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.987152 0.676339 0.131336 Si\n0.987152 0.676339 0.368664 Si\n0.012848 0.323661 0.868664 Si\n0.487152 0.823661 0.631336 Si\n0.512848 0.176339 0.368664 Si\n0.012848 0.323661 0.631336 Si\n0.512848 0.176339 0.131336 Si\n0.487152 0.823661 0.868664 Si\n0.801725 0.131000 0.108132 O\n0.937805 0.378360 0.750000 O\n0.821494 0.409212 0.943176 O\n0.698275 0.631000 0.391868 O\n0.698275 0.631000 0.108132 O\n0.678506 0.909211 0.943176 O\n0.198275 0.869000 0.891868 O\n0.969708 0.152254 0.878710 O\n0.437805 0.121640 0.250000 O\n0.530292 0.652254 0.878710 O\n0.562195 0.878359 0.750000 O\n0.301725 0.369000 0.891868 O\n0.801725 0.131000 0.391868 O\n0.321494 0.090788 0.443176 O\n0.030292 0.847745 0.121290 O\n0.030292 0.847745 0.378710 O\n0.530292 0.652254 0.621290 O\n0.969708 0.152254 0.621290 O\n0.178506 0.590788 0.443176 O\n0.301725 0.369000 0.608132 O\n0.469708 0.347746 0.378710 O\n0.321494 0.090788 0.056824 O\n0.198275 0.869000 0.608132 O\n0.678506 0.909211 0.556824 O\n0.062195 0.621640 0.250000 O\n0.469708 0.347746 0.121290 O\n0.178506 0.590788 0.056824 O\n0.821494 0.409212 0.556824 O\n",
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},
{
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