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{
"id": "jvasp-97862",
"created_at": "2022-09-04T14:35:53.019091Z",
"updated_at": "2022-09-04T14:35:53.019118Z",
"structure_string": "Si16 O32\n1.0\n8.371167 0.000000 0.000000\n0.000000 9.428439 -0.000000\n0.000000 0.000000 9.459697\nSi O\n16 32\ndirect\n0.313143 0.192207 0.099856 Si\n0.186898 0.899358 0.191827 Si\n0.686858 0.692207 0.400145 Si\n0.313143 0.692207 0.400145 Si\n0.813102 0.399358 0.308173 Si\n0.686858 0.807794 0.900145 Si\n0.813102 0.600642 0.691827 Si\n0.813102 0.899358 0.191827 Si\n0.686858 0.192207 0.099856 Si\n0.686858 0.307793 0.599856 Si\n0.813102 0.100642 0.808174 Si\n0.186898 0.600642 0.691827 Si\n0.313143 0.807794 0.900145 Si\n0.313143 0.307793 0.599856 Si\n0.186898 0.399358 0.308173 Si\n0.186898 0.100642 0.808174 Si\n0.749443 0.846080 0.345426 O\n0.208249 0.429821 0.679232 O\n0.250557 0.653920 0.845427 O\n0.000000 0.640243 0.670752 O\n0.749443 0.346080 0.154574 O\n0.749443 0.653920 0.845427 O\n0.250557 0.846080 0.345426 O\n0.291214 0.318659 0.429522 O\n0.708786 0.318659 0.429522 O\n0.749443 0.153920 0.654574 O\n0.791752 0.929821 0.820768 O\n0.291214 0.681341 0.570479 O\n0.000000 0.359758 0.329249 O\n0.291214 0.818659 0.070478 O\n0.250557 0.153920 0.654574 O\n0.708786 0.181341 0.929522 O\n0.208249 0.570180 0.320768 O\n0.291214 0.181341 0.929522 O\n0.500000 0.330339 0.638772 O\n0.000000 0.140242 0.829249 O\n0.208249 0.929821 0.820768 O\n0.791752 0.570180 0.320768 O\n0.708786 0.818659 0.070478 O\n0.708786 0.681341 0.570479 O\n0.500000 0.169661 0.138772 O\n0.000000 0.859758 0.170752 O\n0.791752 0.429821 0.679232 O\n0.250557 0.346080 0.154574 O\n0.208249 0.070180 0.179232 O\n0.500000 0.669661 0.361228 O\n0.500000 0.830339 0.861228 O\n0.791752 0.070180 0.179232 O\n",
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{
"id": "jvasp-98439",
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"structure_string": "Cd4 H16 S8 O20\n1.0\n5.517400 0.000000 -1.127211\n0.000000 7.148273 0.000000\n-0.074108 0.000000 14.134374\nCd H S O\n4 16 8 20\ndirect\n0.445463 0.169406 0.818086 Cd\n0.945463 0.330593 0.318086 Cd\n0.554536 0.830593 0.181914 Cd\n0.054536 0.669406 0.681913 Cd\n0.465338 0.635311 0.582634 H\n0.965338 0.864689 0.082634 H\n0.534661 0.364689 0.417366 H\n0.034661 0.135311 0.917366 H\n0.700920 0.858879 0.536468 H\n0.200920 0.641121 0.036469 H\n0.299079 0.141121 0.463531 H\n0.799079 0.358879 0.963531 H\n0.221968 0.624853 0.505090 H\n0.721968 0.875147 0.005090 H\n0.778031 0.375147 0.494910 H\n0.278031 0.124853 0.994909 H\n0.728974 0.661671 0.483398 H\n0.228973 0.838328 0.983398 H\n0.271026 0.338328 0.516602 H\n0.771026 0.161671 0.016602 H\n0.855498 0.177508 0.658987 S\n0.355499 0.322492 0.158987 S\n0.144501 0.822491 0.341013 S\n0.644501 0.677508 0.841013 S\n0.177722 0.026605 0.664562 S\n0.677723 0.473394 0.164562 S\n0.822277 0.973394 0.335438 S\n0.322277 0.526605 0.835438 S\n0.702390 0.415482 0.428193 O\n0.202390 0.084518 0.928193 O\n0.738806 0.724372 0.546258 O\n0.238806 0.775628 0.046258 O\n0.261193 0.275628 0.453742 O\n0.761193 0.224372 0.953742 O\n0.903690 0.363824 0.619588 O\n0.403690 0.136176 0.119588 O\n0.096310 0.636176 0.380412 O\n0.596310 0.863823 0.880411 O\n0.810108 0.195777 0.757854 O\n0.310108 0.304223 0.257854 O\n0.189892 0.804223 0.242146 O\n0.689892 0.695777 0.742146 O\n0.664384 0.079331 0.591559 O\n0.164385 0.420669 0.091559 O\n0.335615 0.920669 0.408440 O\n0.835615 0.579330 0.908440 O\n0.797610 0.915482 0.071807 O\n0.297610 0.584518 0.571806 O\n",
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"formula_full": "Cd4 H16 S8 O20",
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{
"id": "jvasp-88283",
"created_at": "2022-09-04T14:36:04.100034Z",
"updated_at": "2022-09-04T14:36:04.100064Z",
"structure_string": "Na8 Zn4 P8 O28\n1.0\n7.771738 0.000000 0.000000\n0.000000 7.771738 0.000000\n0.000000 0.000000 10.264515\nNa Zn P O\n8 4 8 28\ndirect\n0.356750 0.356750 0.500000 Na\n0.806126 0.193875 0.500000 Na\n0.643251 0.643251 0.500000 Na\n0.143250 0.856750 0.000000 Na\n0.193875 0.806126 0.500000 Na\n0.856750 0.143250 0.000000 Na\n0.693875 0.693875 0.000000 Na\n0.306126 0.306126 0.000000 Na\n0.500000 0.000000 0.750000 Zn\n0.500000 0.000000 0.250000 Zn\n0.000000 0.500000 0.250000 Zn\n0.000000 0.500000 0.750000 Zn\n0.638731 0.361269 0.791122 P\n0.361269 0.638731 0.791122 P\n0.361269 0.638731 0.208878 P\n0.861269 0.861269 0.291122 P\n0.138731 0.138731 0.708877 P\n0.138731 0.138731 0.291122 P\n0.638731 0.361269 0.208878 P\n0.861269 0.861269 0.708877 P\n0.136318 0.136318 0.143971 O\n0.636319 0.363682 0.356028 O\n0.636319 0.363682 0.643971 O\n0.363682 0.636319 0.643971 O\n0.080863 0.307750 0.355858 O\n0.500000 0.500000 0.848670 O\n0.919137 0.692250 0.355858 O\n0.307750 0.080863 0.644142 O\n0.807750 0.419137 0.855858 O\n0.192250 0.580863 0.855858 O\n0.419137 0.807750 0.144142 O\n0.580863 0.192250 0.144142 O\n0.692250 0.919137 0.644142 O\n0.919137 0.692250 0.644142 O\n0.080863 0.307750 0.644142 O\n0.500000 0.500000 0.151330 O\n0.692250 0.919137 0.355858 O\n0.807750 0.419137 0.144142 O\n0.580863 0.192250 0.855858 O\n0.419137 0.807750 0.855858 O\n0.307750 0.080863 0.355858 O\n0.863682 0.863682 0.856028 O\n0.136318 0.136318 0.856028 O\n0.863682 0.863682 0.143971 O\n0.363682 0.636319 0.356028 O\n0.000000 0.000000 0.348670 O\n0.192250 0.580863 0.144142 O\n0.000000 0.000000 0.651330 O\n",
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{
"id": "jvasp-91407",
"created_at": "2022-09-04T14:35:56.841580Z",
"updated_at": "2022-09-04T14:35:56.841604Z",
"structure_string": "Rb8 Sn8 S32\n1.0\n9.397287 0.000000 -2.878212\n0.000000 10.138545 0.000000\n-0.117193 0.000000 14.308868\nRb Sn S\n8 8 32\ndirect\n0.532076 0.225278 0.912535 Rb\n0.967925 0.725278 0.587465 Rb\n0.467925 0.774721 0.087465 Rb\n0.032075 0.274722 0.412535 Rb\n0.851034 0.132946 0.704769 Rb\n0.648967 0.632946 0.795231 Rb\n0.148966 0.867053 0.295231 Rb\n0.351034 0.367054 0.204769 Rb\n0.025679 0.173810 0.015007 Sn\n0.406695 -0.000004 0.596938 Sn\n0.906695 0.500003 0.096938 Sn\n0.593305 0.000004 0.403063 Sn\n0.525679 0.326189 0.515007 Sn\n0.974322 0.826189 0.984993 Sn\n0.474321 0.673810 0.484993 Sn\n0.093305 0.499996 0.903063 Sn\n0.490131 0.769013 0.332487 S\n0.990131 0.730986 0.832487 S\n0.509870 0.230987 0.667514 S\n0.687360 0.142712 0.190214 S\n0.812640 0.642711 0.309786 S\n0.312640 0.857288 0.809786 S\n0.306082 0.657220 0.769596 S\n0.693918 0.342780 0.230405 S\n0.806082 0.842779 0.269596 S\n0.193918 0.157220 0.730405 S\n0.646341 0.446246 0.100978 S\n0.853660 0.946245 0.399023 S\n0.009869 0.269013 0.167514 S\n0.187360 0.357288 0.690214 S\n0.007836 0.432851 0.715600 S\n0.329482 0.462878 0.419068 S\n0.992164 0.567149 0.284401 S\n0.507836 0.067149 0.215600 S\n0.140563 0.602483 0.076683 S\n0.359437 0.102483 0.423317 S\n0.859437 0.397516 0.923317 S\n0.640564 0.897516 0.576683 S\n0.353660 0.553754 0.899023 S\n0.170518 0.962878 0.080933 S\n0.670518 0.537121 0.580933 S\n0.829483 0.037121 0.919068 S\n0.714346 0.225868 0.460664 S\n0.785654 0.725868 0.039337 S\n0.285654 0.774132 0.539337 S\n0.214346 0.274132 0.960664 S\n0.492164 0.932851 0.784401 S\n0.146341 0.053754 0.600978 S\n",
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{
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"structure_string": "H20 C26 O2\n1.0\n5.210263 -0.088523 1.094767\n0.279900 8.729062 0.584224\n-0.602803 -0.621964 9.750277\nH C O\n20 26 2\ndirect\n0.889863 0.788990 0.988100 H\n0.678115 0.576645 0.387293 H\n0.678116 0.576646 0.887294 H\n0.282754 0.097626 0.169772 H\n0.652988 0.336092 0.553005 H\n0.652987 0.336091 0.053003 H\n0.267381 0.832782 0.818633 H\n0.267379 0.832782 0.318633 H\n0.055333 0.616622 0.719240 H\n0.055332 0.616621 0.219240 H\n0.282755 0.097627 0.669772 H\n0.855472 0.104510 0.936394 H\n0.850750 0.897783 0.791419 H\n0.850746 0.897784 0.291416 H\n0.873056 -0.001816 0.636339 H\n0.873054 -0.001816 0.136339 H\n0.079177 0.331811 0.285549 H\n0.079181 0.331811 0.785549 H\n0.889864 0.788990 0.488099 H\n0.855473 0.104510 0.436394 H\n0.584422 0.083440 0.295097 C\n0.353455 0.585008 0.047790 C\n0.353454 0.585007 0.547790 C\n0.704082 0.753491 0.037912 C\n0.704084 0.753493 0.537913 C\n0.363560 0.148392 0.754577 C\n0.248942 0.280393 0.318445 C\n0.588156 0.632906 0.981655 C\n0.588155 0.632905 0.481653 C\n0.363559 0.148392 0.254578 C\n0.584420 0.083443 0.795098 C\n0.248940 0.280394 0.818445 C\n0.352579 0.347406 0.425931 C\n0.356185 0.778034 0.723037 C\n0.590798 0.828869 0.658387 C\n0.590799 0.828869 0.158386 C\n0.683255 0.153023 0.403669 C\n0.683258 0.153024 0.903670 C\n0.237424 0.656674 0.668845 C\n0.237423 0.656674 0.168845 C\n0.571650 0.284272 0.469059 C\n0.571653 0.284272 0.969060 C\n0.356182 0.778033 0.223037 C\n0.734012 0.951730 0.719671 C\n0.734011 0.951731 0.219676 C\n0.352583 0.347404 0.925930 C\n0.218894 0.471804 -0.007178 O\n0.218896 0.471804 0.492822 O\n",
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{
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"updated_at": "2022-09-04T14:36:57.727190Z",
"structure_string": "H28 C20\n1.0\n3.724606 0.000000 -2.713880\n0.000004 15.433155 0.000003\n0.081649 0.000002 7.096850\nH C\n28 20\ndirect\n0.129562 0.722121 0.041442 H\n0.835990 0.947263 0.563198 H\n0.164011 0.052737 0.436802 H\n0.164011 0.447263 0.936802 H\n0.835990 0.552738 0.063198 H\n0.188117 0.054932 0.868596 H\n0.188116 0.445068 0.368595 H\n0.811884 0.554932 0.631405 H\n0.753993 0.835030 0.179991 H\n0.246008 0.164970 0.820009 H\n0.246007 0.335030 0.320009 H\n0.753993 0.664970 0.679990 H\n0.401444 0.909753 0.078373 H\n0.598557 0.090247 0.921627 H\n0.811883 0.945068 0.131404 H\n0.401445 0.590248 0.578373 H\n0.598555 0.409753 0.421626 H\n0.870439 0.277879 0.958558 H\n0.870436 0.222121 0.458558 H\n0.379495 0.768613 0.323476 H\n0.620505 0.231387 0.676523 H\n0.129564 0.777879 0.541442 H\n0.379496 0.731388 0.823477 H\n0.010284 0.700659 0.235069 H\n0.989717 0.299341 0.764931 H\n0.989717 0.200659 0.264931 H\n0.010284 0.799341 0.735068 H\n0.620504 0.268613 0.176523 H\n0.391318 0.462548 0.931502 C\n0.378326 0.108583 0.933514 C\n0.608683 0.537453 0.068498 C\n0.545669 0.914559 0.695006 C\n0.454331 0.085442 0.304994 C\n0.454331 0.414558 0.804994 C\n0.545669 0.585442 0.195005 C\n0.621674 0.891417 0.066486 C\n0.378325 0.391417 0.433514 C\n0.235320 0.789760 0.722452 C\n0.476176 0.868260 0.819423 C\n0.523824 0.131740 0.180577 C\n0.523824 0.368260 0.680577 C\n0.476176 0.631740 0.319423 C\n0.764680 0.210241 0.277548 C\n0.764681 0.289760 0.777548 C\n0.235319 0.710241 0.222451 C\n0.391318 0.037452 0.431502 C\n0.621675 0.608583 0.566486 C\n0.608683 0.962548 0.568498 C\n",
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{
"id": "jvasp-98628",
"created_at": "2022-09-04T14:36:15.276838Z",
"updated_at": "2022-09-04T14:36:15.276859Z",
"structure_string": "Rb1 Co1 H24 C14 N8\n1.0\n-4.331392 4.331392 6.092309\n4.331392 -4.331392 6.092309\n4.331392 4.331392 -6.092309\nRb Co H C N\n1 1 24 14 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Co\n0.463673 0.189296 0.391491 H\n0.797805 0.072182 0.608509 H\n0.072182 0.463673 0.274376 H\n0.536327 0.810704 0.608509 H\n0.202194 0.927818 0.391491 H\n0.810704 0.202194 0.274376 H\n0.927818 0.536327 0.725623 H\n0.632585 0.292689 0.676669 H\n0.616019 0.955916 0.323331 H\n0.292689 0.616019 0.660103 H\n0.955916 0.632585 0.339897 H\n0.189296 0.797805 0.725623 H\n0.383980 0.044084 0.676669 H\n0.707311 0.383981 0.339897 H\n0.044084 0.367414 0.660103 H\n0.601932 0.437388 0.576649 H\n0.860738 0.025283 0.423351 H\n0.437388 0.860738 0.835455 H\n0.025283 0.601932 0.164545 H\n0.398068 0.562612 0.423351 H\n0.139261 -0.025283 0.576649 H\n0.367415 0.707311 0.323331 H\n0.562612 0.139262 0.164545 H\n-0.025283 0.398067 0.835455 H\n0.400012 0.703922 0.461055 C\n0.061044 0.599988 0.303910 C\n0.599988 0.296078 0.538944 C\n0.757134 0.061044 0.461055 C\n0.242866 0.938956 0.538944 C\n0.296078 0.757134 0.696090 C\n0.703922 0.242866 0.303910 C\n0.126673 0.177788 0.304460 C\n0.873327 0.822212 0.695539 C\n0.822212 0.126673 0.948885 C\n0.177788 0.873327 0.051115 C\n0.155476 0.155476 -0.000000 C\n0.844524 0.844524 -0.000000 C\n0.938956 0.400012 0.696090 C\n0.750000 0.250000 0.500000 N\n0.748340 0.748340 -0.000000 N\n0.251660 0.251660 0.000000 N\n0.286160 0.792169 0.078329 N\n0.713840 0.207830 0.921671 N\n0.207830 0.286159 0.493990 N\n0.792169 0.713840 0.506010 N\n0.250000 0.750000 0.500000 N\n",
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{
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