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{
"id": "jvasp-95209",
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"structure_string": "Ca4 H16 N24 O8\n1.0\n10.975644 0.000000 -3.422517\n0.000000 6.060509 0.000000\n-0.080163 0.000000 7.888898\nCa H N O\n4 16 24 8\ndirect\n0.512139 0.745941 0.179834 Ca\n0.012139 0.754059 0.679835 Ca\n0.487861 0.254059 0.820166 Ca\n0.987861 0.245941 0.320165 Ca\n0.109353 0.696213 0.379755 H\n0.609353 0.803787 0.879755 H\n0.890647 0.303787 0.620245 H\n0.390647 0.196213 0.120245 H\n0.696175 0.980273 0.007331 H\n0.803825 0.480273 0.492668 H\n0.303825 0.019728 0.992669 H\n0.196175 0.519728 0.507332 H\n0.702656 0.458629 0.112782 H\n0.797343 0.958629 0.387217 H\n0.297344 0.541371 0.887218 H\n0.129016 0.204193 0.703498 H\n0.629016 0.295807 0.203498 H\n0.870984 0.795808 0.296502 H\n0.370984 0.704193 0.796502 H\n0.202657 0.041371 0.612783 H\n0.629762 0.600404 0.610940 N\n0.129762 0.899596 0.110941 N\n0.608451 0.127790 0.623725 N\n0.108451 0.372210 0.123724 N\n0.391549 0.872210 0.376275 N\n0.659433 0.611615 0.480431 N\n0.340567 0.388385 0.519569 N\n0.840566 0.111615 0.019569 N\n0.159434 0.888385 0.980431 N\n0.870238 0.100404 0.889059 N\n0.891549 0.627791 0.876275 N\n0.370238 0.399596 0.389059 N\n0.900107 0.084948 0.758946 N\n0.373151 0.896946 0.512277 N\n0.645868 0.071922 0.348509 N\n0.873150 0.603054 0.012277 N\n0.354132 0.928078 0.651491 N\n0.854132 0.571922 0.151490 N\n0.400107 0.415052 0.258946 N\n0.145868 0.428078 0.848510 N\n0.599893 0.584948 0.741054 N\n0.099893 0.915052 0.241054 N\n0.626849 0.103054 0.487723 N\n0.126850 0.396946 0.987723 N\n0.382073 0.589378 0.892992 O\n0.882072 0.910622 0.392991 O\n0.617927 0.410622 0.107008 O\n0.117927 0.089378 0.607008 O\n0.388434 0.082552 0.025417 O\n0.888434 0.417448 0.525417 O\n0.611566 0.917449 0.974583 O\n0.111566 0.582552 0.474583 O\n",
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{
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"created_at": "2022-09-04T14:35:59.933448Z",
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"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-96920",
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"structure_string": "Bi4 I12 O36\n1.0\n5.905852 0.000000 0.000000\n0.000000 8.816784 -1.099238\n0.000000 -0.010333 15.247373\nBi I O\n4 12 36\ndirect\n0.729569 0.957965 0.601503 Bi\n0.770430 0.457965 0.101503 Bi\n0.229569 0.542035 0.898497 Bi\n0.270431 0.042035 0.398497 Bi\n0.813125 0.777186 0.349556 I\n0.098322 0.383930 0.298692 I\n0.901678 0.616070 0.701308 I\n0.144835 0.163194 0.022818 I\n0.644835 0.336806 0.477182 I\n0.598322 0.116070 0.201308 I\n0.355165 0.663194 0.522818 I\n0.686874 0.277187 0.849556 I\n0.186874 0.222813 0.650443 I\n0.313125 0.722813 0.150443 I\n0.855165 0.836806 0.977182 I\n0.401678 0.883930 0.798692 I\n0.385973 0.068747 0.671484 O\n0.908958 0.087751 0.947212 O\n0.408958 0.412249 0.552788 O\n0.091042 0.912249 0.052788 O\n0.591042 0.587751 0.447212 O\n0.093037 0.357577 0.992287 O\n0.593036 0.142423 0.507713 O\n0.906963 0.642422 0.007713 O\n0.406963 0.857577 0.492287 O\n0.885973 0.431254 0.828515 O\n0.311202 0.085779 0.243416 O\n0.443562 0.353473 0.792555 O\n0.811201 0.414221 0.256584 O\n0.688798 0.914221 0.756584 O\n0.188798 0.585779 0.743415 O\n0.595016 0.949462 0.116726 O\n0.095016 0.550537 0.383274 O\n0.404983 0.050538 0.883274 O\n0.904983 0.449463 0.616726 O\n0.495933 0.263153 0.133529 O\n-0.004067 0.236847 0.366470 O\n0.504067 0.736847 0.866470 O\n0.614027 0.931253 0.328515 O\n0.004067 0.763153 0.633529 O\n0.472304 0.283613 0.376410 O\n0.027696 0.783613 0.876410 O\n0.527695 0.716386 0.623590 O\n0.919249 0.860129 0.458534 O\n0.419249 0.639870 0.041466 O\n0.080751 0.139871 0.541466 O\n0.580751 0.360130 0.958534 O\n0.056438 0.853473 0.292555 O\n0.556438 0.646527 0.207444 O\n0.943562 0.146527 0.707444 O\n0.972304 0.216386 0.123590 O\n0.114027 0.568746 0.171484 O\n",
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{
"id": "jvasp-97662",
"created_at": "2022-09-04T14:35:55.311094Z",
"updated_at": "2022-09-04T14:35:55.311121Z",
"structure_string": "Na4 Li4 H16 C8 O20\n1.0\n6.788233 -0.058049 -0.982119\n-0.640548 7.603407 -2.838634\n0.299767 0.023287 10.252358\nNa Li H C O\n4 4 16 8 20\ndirect\n0.407599 0.139553 0.645664 Na\n0.592401 0.860448 0.354337 Na\n0.902794 0.147780 0.649178 Na\n0.097206 0.852220 0.350823 Na\n0.214417 0.427975 0.856189 Li\n0.785582 0.572026 0.143812 Li\n0.676971 0.872255 0.798725 Li\n0.323029 0.127746 0.201276 Li\n0.305860 0.793148 0.973219 H\n0.694139 0.206852 0.026782 H\n0.862298 0.036328 0.128793 H\n0.137702 0.963672 0.871208 H\n0.672658 0.418859 0.513868 H\n0.327341 0.581142 0.486133 H\n0.967009 0.614034 0.500152 H\n0.032990 0.385967 0.499848 H\n0.131636 0.534276 0.163176 H\n0.932573 0.569917 0.740503 H\n0.868363 0.465725 0.836825 H\n0.562987 0.442086 0.270685 H\n0.437013 0.557915 0.729316 H\n0.447997 0.526803 0.168889 H\n0.552003 0.473198 0.831111 H\n0.067427 0.430084 0.259497 H\n0.798450 0.897840 0.092811 C\n0.296370 0.756626 0.066863 C\n0.703630 0.243375 0.933138 C\n0.201550 0.102160 0.907190 C\n0.903598 0.733666 0.566180 C\n0.376808 0.716619 0.559843 C\n0.096402 0.266334 0.433821 C\n0.623192 0.283382 0.440157 C\n0.564703 0.546426 0.239693 O\n0.435296 0.453575 0.760308 O\n0.267167 0.593410 0.046055 O\n0.732833 0.406591 0.953945 O\n0.316187 0.878938 0.186124 O\n0.683812 0.121063 0.813876 O\n0.714856 0.827021 0.968779 O\n0.285144 0.172980 0.031222 O\n0.817791 0.823424 0.184373 O\n0.182209 0.176577 0.815628 O\n0.436666 0.735485 0.686446 O\n0.631038 0.161101 0.489570 O\n0.368962 0.838900 0.510431 O\n0.874442 0.741406 0.688054 O\n0.125558 0.258595 0.311947 O\n0.867655 0.849042 0.512219 O\n0.132345 0.150959 0.487781 O\n0.960435 0.466536 0.769115 O\n0.563333 0.264516 0.313555 O\n0.039565 0.533465 0.230886 O\n",
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"formula_full": "Na4 Li4 H16 C8 O20",
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{
"id": "jvasp-97757",
"created_at": "2022-09-04T14:36:02.669446Z",
"updated_at": "2022-09-04T14:36:02.669470Z",
"structure_string": "K2 Zr1 Cd1 H16 C8 O24\n1.0\n-5.643267 5.643267 4.348085\n5.643267 -5.643267 4.348085\n5.643267 5.643267 -4.348085\nK Zr Cd H C O\n2 1 1 16 8 24\ndirect\n0.499999 0.499999 0.000000 K\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 Zr\n0.000000 0.000000 0.000000 Cd\n0.995852 0.150197 0.667379 H\n0.482819 0.328473 0.332621 H\n0.849802 0.517181 0.845654 H\n0.671527 0.004148 0.154346 H\n0.139266 0.220657 0.580775 H\n0.639882 0.558491 0.419226 H\n0.779343 0.360118 0.918609 H\n0.441508 0.860734 0.081391 H\n0.811926 0.892918 0.422840 H\n0.470079 0.389087 0.577161 H\n0.107082 0.529922 0.919008 H\n0.610913 0.188073 0.080992 H\n0.583153 0.750919 0.352043 H\n0.398877 0.231111 0.647958 H\n0.249081 0.601124 0.832234 H\n0.768889 0.416846 0.167766 H\n0.229982 0.953889 0.276021 C\n0.677867 0.953961 0.723979 C\n0.046039 0.770018 0.723907 C\n0.046111 0.322132 0.276094 C\n0.558742 0.795921 0.777952 C\n0.219209 0.441258 0.237179 C\n0.204079 0.982031 0.762821 C\n0.017969 0.780790 0.222049 C\n0.851891 0.411851 0.852815 O\n0.559037 -0.000924 0.147186 O\n0.694459 0.754086 0.358935 O\n0.395152 0.335525 0.641066 O\n0.245914 0.604848 0.940373 O\n0.664475 0.305540 0.059627 O\n0.352872 0.969351 0.394249 O\n0.575103 0.958624 0.605752 O\n0.030649 0.424897 0.383522 O\n0.041376 0.647127 0.616479 O\n0.268137 0.064562 0.205111 O\n0.935438 0.140548 0.203575 O\n0.936974 0.731863 0.796426 O\n0.886056 0.748662 0.106375 O\n0.642287 0.779682 0.893625 O\n0.251337 0.357713 0.137395 O\n0.220319 0.113943 0.862606 O\n-0.002783 0.678977 0.306553 O\n0.372424 0.690665 0.693448 O\n0.321023 0.627576 0.318241 O\n0.309336 0.002783 0.681760 O\n0.588148 0.440962 0.440039 O\n0.859452 0.063026 0.794890 O\n0.000924 0.148110 0.559961 O\n",
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"formula_full": "K2 Zr1 Cd1 H16 C8 O24",
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{
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"structure_string": "Mg2 P4 H24 O22\n1.0\n7.331107 -0.010252 -2.341945\n3.486888 8.467901 -0.703564\n-0.140597 0.161529 7.416320\nMg P H O\n2 4 24 22\ndirect\n0.781035 0.707396 0.645163 Mg\n0.218965 0.292604 0.354837 Mg\n0.903408 0.317009 0.601533 P\n0.096592 0.682992 0.398467 P\n0.575257 0.072224 0.755889 P\n0.424744 0.927776 0.244111 P\n0.200210 0.557095 0.822795 H\n0.799790 0.442905 0.177205 H\n0.521376 0.389091 0.863110 H\n0.478624 0.610909 0.136890 H\n0.896468 0.059723 0.265112 H\n0.103533 0.940277 0.734888 H\n0.919003 0.399067 0.030109 H\n0.027814 0.953256 0.784398 H\n0.972186 0.046744 0.215602 H\n0.386563 0.483784 0.662257 H\n0.080997 0.600933 0.969891 H\n0.613437 0.516216 0.337743 H\n0.568792 0.774375 0.883804 H\n0.431209 0.225625 0.116196 H\n0.072827 0.193106 0.894776 H\n0.671200 0.208701 0.526689 H\n0.328800 0.791299 0.473311 H\n0.265096 0.120445 0.686828 H\n-0.072827 0.806894 0.105225 H\n0.745966 0.128778 0.037982 H\n0.254034 0.871222 -0.037982 H\n0.574229 0.606448 0.818904 H\n0.425771 0.393552 0.181096 H\n0.734904 0.879555 0.313172 H\n0.935287 0.405065 0.166742 O\n0.500054 0.823856 0.427287 O\n0.064713 0.594935 0.833258 O\n0.353041 0.320944 0.164482 O\n0.646960 0.679056 0.835518 O\n0.369973 0.817156 0.073827 O\n0.630028 0.182844 0.926173 O\n0.605766 0.958407 0.220324 O\n0.394234 0.041593 0.779676 O\n0.499946 0.176144 0.572713 O\n0.952823 0.283519 0.826810 O\n0.753407 0.918983 0.786533 O\n0.212173 0.788072 0.506815 O\n0.787827 0.211928 0.493185 O\n0.047177 0.716481 0.173190 O\n0.903617 0.740614 0.445452 O\n0.096384 0.259386 0.554548 O\n0.226913 0.509387 0.441679 O\n0.773088 0.490613 0.558321 O\n0.441455 0.496472 0.801370 O\n0.246593 0.081017 0.213467 O\n0.558546 0.503529 0.198630 O\n",
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{
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