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{
"id": "jvasp-85550",
"created_at": "2022-09-04T14:36:18.090749Z",
"updated_at": "2022-09-04T14:36:18.090769Z",
"structure_string": "Rb2 Cd2 H4 I6 O2\n1.0\n5.461390 4.945281 -0.083493\n-5.461390 4.945281 0.083493\n-0.043391 0.000000 8.816563\nRb Cd H I O\n2 2 4 6 2\ndirect\n0.508031 0.719008 0.824673 Rb\n0.280992 0.491969 0.324673 Rb\n0.970706 0.966014 0.496979 Cd\n0.033986 0.029294 -0.003021 Cd\n0.126657 0.487072 0.680231 H\n0.512928 0.873343 0.180232 H\n0.274219 0.351428 0.703001 H\n0.648571 0.725781 0.203001 H\n0.796040 0.614206 0.487487 I\n0.385794 0.203960 0.987487 I\n0.846114 0.171722 0.242853 I\n0.828278 0.153886 0.742853 I\n0.348714 -0.004199 0.486657 I\n0.004199 0.651286 0.986656 I\n0.250620 0.465650 0.650617 O\n0.534349 0.749379 0.150617 O\n",
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{
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"structure_string": "La2 Co2 C4\n1.0\n2.737074 -0.002418 2.737153\n2.737074 -0.002418 -2.737153\n-1.592460 7.293280 0.000000\nLa Co C\n2 2 4\ndirect\n0.923132 0.073646 0.502130 La\n0.073646 0.923132 0.002130 La\n0.484230 0.630822 0.694602 Co\n0.630822 0.484230 0.194602 Co\n0.508090 0.152333 0.774769 C\n0.152333 0.508090 0.274769 C\n0.557725 0.404015 0.925499 C\n0.404015 0.557725 0.425499 C\n",
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{
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"structure_string": "P2 N2 O2\n1.0\n4.639473 -0.009736 -0.182421\n-0.009736 4.639473 -0.182421\n-2.363501 -2.363501 3.711824\nP N O\n2 2 2\ndirect\n0.010363 0.979315 0.999646 P\n0.229315 0.760363 0.499647 P\n0.130201 0.737538 0.747349 N\n0.987537 0.880200 0.247350 N\n0.258911 0.383669 0.253003 O\n0.633669 0.008911 0.753003 O\n",
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{
"id": "jvasp-95598",
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"updated_at": "2022-09-04T14:36:21.019025Z",
"structure_string": "Sb2 H6 C4 O8 F12\n1.0\n4.758001 4.481604 -4.263357\n-4.758001 4.481604 4.263357\n-0.034685 0.000000 8.502744\nSb H C O F\n2 6 4 8 12\ndirect\n0.142240 0.140330 0.503334 Sb\n0.859669 0.857760 0.003334 Sb\n0.430950 0.065554 0.971394 H\n0.934445 0.569050 0.471394 H\n0.620080 0.102821 0.478072 H\n0.897178 0.379919 0.978072 H\n0.383773 0.597888 0.313199 H\n0.402111 0.616226 0.813199 H\n0.522546 0.070753 0.232092 C\n0.929247 0.477453 0.732092 C\n0.488662 0.838043 0.357571 C\n0.161957 0.511337 0.857571 C\n0.236140 0.468327 0.042318 O\n0.531672 0.763859 0.542318 O\n0.250974 0.587184 0.736315 O\n0.412814 0.749025 0.236315 O\n0.818318 0.407457 0.824248 O\n0.592542 0.181682 0.324248 O\n0.840385 0.515725 0.538592 O\n0.484274 0.159615 0.038592 O\n0.043821 0.236784 0.601517 F\n0.763215 0.956179 0.101517 F\n0.244618 0.038941 0.413728 F\n0.961058 0.755381 0.913728 F\n0.332099 0.980829 0.797689 F\n0.019170 0.667900 0.297690 F\n0.946764 0.306044 0.215360 F\n0.693956 0.053235 0.715360 F\n0.938545 0.916547 0.518199 F\n0.083452 0.061454 0.018199 F\n0.349023 0.363298 0.489973 F\n0.636702 0.650976 0.989973 F\n",
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{
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"structure_string": "Al4 Si4 H8 O18\n1.0\n2.580456 4.512532 -0.300760\n-2.580456 4.512532 0.300760\n0.001132 0.000000 14.352681\nAl Si H O\n4 4 8 18\ndirect\n0.662349 0.831011 0.731485 Al\n0.168989 0.337650 0.231485 Al\n0.003032 0.160504 0.730133 Al\n0.839495 0.996968 0.230133 Al\n0.611311 0.585574 0.536941 Si\n0.414426 0.388688 0.036941 Si\n0.927538 0.926907 0.536026 Si\n0.073093 0.072461 0.036026 Si\n0.858731 0.304572 0.358662 H\n0.695427 0.141269 0.858662 H\n0.244700 0.632785 0.359002 H\n0.367215 0.755300 0.859002 H\n0.555224 0.953038 0.360570 H\n0.046962 0.444776 0.860570 H\n0.670692 0.691796 0.154668 H\n0.308204 0.329307 0.654668 H\n0.142968 0.646091 0.298441 O\n0.353909 0.857032 0.798441 O\n0.523845 0.031245 0.294859 O\n0.968754 0.476155 0.794859 O\n0.858922 0.691169 0.154481 O\n0.308830 0.141077 0.654481 O\n0.089876 0.073485 0.149068 O\n0.926514 0.910123 0.649068 O\n0.715312 0.808126 0.488778 O\n0.686964 0.530113 0.649690 O\n0.277747 0.741166 0.000861 O\n0.258833 0.722253 0.500861 O\n0.729164 0.209076 0.988456 O\n0.790923 0.270836 0.488456 O\n0.191874 0.284688 0.988778 O\n0.739180 0.091703 0.794750 O\n0.469886 0.313035 0.149690 O\n0.908297 0.260820 0.294750 O\n",
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{
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"created_at": "2022-09-04T14:36:31.858290Z",
"updated_at": "2022-09-04T14:36:31.858314Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.414235 0.025707 -0.103182\n0.025707 6.414235 0.103182\n-0.179528 0.179528 10.966193\nSr H O\n2 32 20\ndirect\n-0.018108 -0.008890 0.257049 Sr\n0.008890 0.018109 0.757049 Sr\n0.291957 0.401436 0.650365 H\n0.042996 0.441987 0.628845 H\n0.374108 0.743136 0.640989 H\n0.309827 0.895150 0.528057 H\n0.626263 0.298449 0.652502 H\n0.701944 0.156682 0.544040 H\n0.104852 0.690174 0.028057 H\n0.701553 0.373738 0.152502 H\n0.843320 0.298057 0.044040 H\n0.558014 0.957005 0.128846 H\n0.598565 0.708044 0.150366 H\n0.314218 0.123636 0.050332 H\n0.382207 0.277475 0.157945 H\n0.722526 0.617794 0.657945 H\n0.876365 0.685783 0.550332 H\n0.256865 0.625893 0.140989 H\n0.626910 0.723657 0.858584 H\n0.703141 0.850692 0.974188 H\n0.276344 0.373091 0.358584 H\n0.149309 0.296860 0.474188 H\n0.733951 0.596382 0.361970 H\n0.564481 0.025728 0.389915 H\n0.613699 0.267500 0.361908 H\n0.380318 0.927850 0.270435 H\n0.973549 0.532741 0.376285 H\n0.408124 0.706522 0.345233 H\n0.732501 0.386302 0.861908 H\n0.974273 0.435520 0.889914 H\n0.072151 0.619684 0.770435 H\n0.293479 0.591878 0.845233 H\n0.467260 0.026453 0.876284 H\n0.403619 0.266050 0.861969 H\n0.346892 0.124333 0.886249 O\n0.135744 0.718829 0.113942 O\n0.713644 0.173578 0.633709 O\n0.281172 0.864258 0.613942 O\n0.152182 0.331459 0.629697 O\n0.868765 0.673250 0.641111 O\n0.693421 0.859765 0.882807 O\n0.826423 0.286357 0.133710 O\n0.140584 0.646808 0.850347 O\n0.509611 0.500690 0.824624 O\n0.353194 0.859417 0.350347 O\n0.680257 0.127699 0.388771 O\n0.875668 0.653109 0.386249 O\n0.140237 0.306580 0.382808 O\n0.482411 0.498618 0.187679 O\n0.501383 0.517590 0.687679 O\n0.499311 0.490390 0.324624 O\n0.668542 0.847819 0.129697 O\n0.872302 0.319744 0.888771 O\n0.326751 0.131236 0.141111 O\n",
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{
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"structure_string": "Nd2 Co2 C4\n1.0\n3.757303 -0.005923 0.568387\n-0.083011 3.756390 0.568387\n-0.030564 -0.031197 7.417844\nNd Co C\n2 2 4\ndirect\n0.922473 0.070565 0.450860 Nd\n0.070566 0.922472 0.950859 Nd\n0.482615 0.626193 0.258279 Co\n0.626194 0.482614 0.758278 Co\n0.555047 0.402345 0.025927 C\n0.402345 0.555047 0.525926 C\n0.146228 0.506535 0.677936 C\n0.506536 0.146227 0.177936 C\n",
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{
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"structure_string": "H8 C2 N10 Cl2\n1.0\n2.432705 5.453919 -0.169677\n-2.432705 5.453919 0.169677\n-0.271767 0.000000 9.588276\nH C N Cl\n8 2 10 2\ndirect\n0.323169 0.966435 0.054227 H\n0.033565 0.676831 0.554227 H\n0.522028 0.930014 0.910594 H\n0.069987 0.477972 0.410594 H\n0.819834 0.488159 0.803821 H\n0.511842 0.180166 0.303820 H\n0.754090 0.236516 0.820519 H\n0.763484 0.245910 0.320519 H\n0.517000 0.596883 0.940581 C\n0.403117 0.483000 0.440581 C\n0.576972 0.283318 0.350657 N\n0.716682 0.423029 0.850657 N\n0.140073 0.569010 0.465992 N\n0.430990 0.859928 0.965992 N\n0.210878 0.044530 0.623957 N\n0.403492 0.484073 0.007291 N\n0.338694 0.832505 0.566204 N\n0.167496 0.661306 0.066204 N\n0.515927 0.596508 0.507291 N\n0.955470 0.789122 0.123957 N\n0.834113 0.855109 0.746660 Cl\n0.144892 0.165887 0.246660 Cl\n",
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{
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"structure_string": "Li2 Nb2 O4 F2\n1.0\n4.706328 -0.005399 2.435144\n1.831871 4.335182 2.435144\n0.011046 0.007315 5.609363\nLi Nb O F\n2 2 4 2\ndirect\n0.727462 0.331676 0.676402 Li\n0.331676 0.727461 0.176403 Li\n0.493266 0.997956 0.520095 Nb\n0.997957 0.493265 0.020096 Nb\n0.621644 0.700534 0.315164 O\n0.241989 0.358308 0.276329 O\n0.358309 0.241989 0.776329 O\n0.700535 0.621644 0.815163 O\n0.921644 0.061522 0.278004 F\n0.061522 0.921644 0.778004 F\n",
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{
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"updated_at": "2022-09-04T14:36:37.118265Z",
"structure_string": "Mn4 O2 F4\n1.0\n4.919015 0.008555 -2.331718\n-3.151211 4.770998 -0.479504\n0.028564 -0.008199 5.443589\nMn O F\n4 2 4\ndirect\n0.217738 0.908565 0.565349 Mn\n0.701630 0.062728 0.337704 Mn\n0.343222 0.408570 0.190825 Mn\n0.725019 0.562724 0.861096 Mn\n0.519031 0.243894 0.482033 O\n0.761862 0.743898 0.224866 O\n0.199917 0.796375 0.924027 F\n0.872362 0.296392 0.096470 F\n0.169855 0.238423 0.749059 F\n0.489361 0.738424 0.568572 F\n",
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{
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"structure_string": "Na2 H6 S2 O10\n1.0\n3.369743 3.873931 -1.947130\n-3.369743 3.873931 1.947130\n-0.038891 0.000000 8.163178\nNa H S O\n2 6 2 10\ndirect\n0.948420 0.496464 0.491771 Na\n0.503535 0.051580 0.991771 Na\n0.303088 0.597284 0.780343 H\n0.402716 0.696912 0.280343 H\n0.495723 0.528869 0.695130 H\n0.471131 0.504277 0.195130 H\n0.822907 0.591537 0.002184 H\n0.408463 0.177093 0.502184 H\n0.126038 0.137416 0.244790 S\n0.862583 0.873962 0.744790 S\n0.355005 0.462141 0.740768 O\n0.775365 0.687047 0.653099 O\n0.312953 0.224635 0.153099 O\n0.717991 0.141306 0.629014 O\n0.858693 0.282009 0.129013 O\n0.777750 0.789495 0.922039 O\n0.210505 0.222250 0.422039 O\n0.146967 0.870891 0.813862 O\n0.129109 0.853033 0.313862 O\n0.537858 0.644995 0.240768 O\n",
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{
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"structure_string": "B4 N4\n1.0\n3.031064 -0.000500 1.042532\n1.115823 4.186534 0.383787\n-0.023508 -0.000250 4.995881\nB N\n4 4\ndirect\n0.566125 0.999813 0.868531 B\n0.434656 0.499813 0.131471 B\n0.564532 0.508096 0.613511 B\n0.178043 0.008096 0.386490 B\n0.777724 0.159583 0.608946 N\n0.386669 0.659582 0.391055 N\n0.510721 0.678605 0.868598 N\n0.379321 0.178606 0.131402 N\n",
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]
}