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{
"id": "jvasp-54720",
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"structure_string": "Ga4 H4 O8\n1.0\n4.496189 3.364691 0.000000\n0.000000 3.364691 4.625671\n4.496189 0.000000 4.625671\nGa H O\n4 4 8\ndirect\n0.097364 0.095643 0.596726 Ga\n0.710267 0.596726 0.095643 Ga\n0.904357 0.902636 0.289733 Ga\n0.403274 0.289733 0.902636 Ga\n0.550266 0.009214 0.642638 H\n0.357362 0.702117 0.449735 H\n-0.009214 0.449734 0.702117 H\n0.297883 0.642638 0.009214 H\n0.027262 0.836438 -0.008875 O\n0.645175 -0.008876 0.836439 O\n0.008875 0.354825 0.972738 O\n0.163561 0.972738 0.354825 O\n0.527025 0.021949 0.490085 O\n0.509915 0.539058 0.472976 O\n-0.021949 0.472975 0.539058 O\n0.460942 0.490085 0.021949 O\n",
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{
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{
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"structure_string": "Mg2 Co4 O8\n1.0\n2.833198 0.000000 0.000000\n-1.416599 4.617524 -0.000000\n0.000000 -0.000000 9.362190\nMg Co O\n2 4 8\ndirect\n0.390716 0.781433 0.750000 Mg\n0.609284 0.218566 0.250000 Mg\n0.863959 0.727917 0.071075 Co\n0.136041 0.272082 0.928925 Co\n0.863959 0.727917 0.428925 Co\n0.136041 0.272082 0.571075 Co\n0.230865 0.461732 0.389089 O\n0.769135 0.538267 0.610911 O\n0.769135 0.538267 0.889089 O\n0.230865 0.461732 0.110911 O\n0.957365 0.914730 0.250000 O\n0.042635 0.085269 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
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"structure_string": "Mg1 H1 N1\n1.0\n-0.000000 2.358827 2.358827\n2.358827 0.000000 2.358827\n2.358827 2.358827 0.000000\nMg H N\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 H\n0.000000 0.000000 0.000000 N\n",
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{
"id": "jvasp-58273",
"created_at": "2022-09-04T14:37:19.577673Z",
"updated_at": "2022-09-04T14:37:19.577701Z",
"structure_string": "Ti1 Be12\n1.0\n2.117151 -3.667013 0.000000\n2.117151 3.667013 -0.000000\n-0.000000 0.000000 7.326035\nTi Be\n1 12\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.000000 Be\n0.666667 0.333333 0.000000 Be\n0.333333 0.666667 0.500000 Be\n0.666667 0.333333 0.500000 Be\n0.000000 0.000000 0.654127 Be\n0.000000 0.000000 0.345873 Be\n0.500000 0.500000 0.759145 Be\n0.500000 0.000000 0.759145 Be\n0.000000 0.500000 0.759145 Be\n0.500000 0.500000 0.240856 Be\n0.500000 0.000000 0.240856 Be\n0.000000 0.500000 0.240856 Be\n",
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{
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"created_at": "2022-09-04T14:38:09.640919Z",
"updated_at": "2022-09-04T14:38:09.640943Z",
"structure_string": "Li4 Cr3 Ni1 O8\n1.0\n1.462785 0.844538 4.745281\n5.838006 0.000369 0.003953\n-2.918684 5.055300 0.000001\nLi Cr Ni O\n4 3 1 8\ndirect\n0.998599 0.004721 0.502361 Li\n0.001400 0.995281 0.997639 Li\n-0.000000 0.500001 0.508016 Li\n-0.000001 0.500001 0.991984 Li\n0.500000 0.000000 0.750000 Cr\n0.500000 -0.000000 0.250000 Cr\n0.500000 0.500000 0.250000 Cr\n0.499999 0.500001 0.750000 Ni\n0.270439 0.230270 0.615135 O\n0.726683 0.250883 0.885540 O\n0.273808 0.242286 0.121143 O\n0.726682 0.250884 0.365344 O\n0.273316 0.749118 0.614461 O\n0.729560 0.769732 0.884866 O\n0.273317 0.749117 0.134656 O\n0.726191 0.757715 0.378857 O\n",
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{
"id": "jvasp-112559",
"created_at": "2022-09-04T14:38:42.182878Z",
"updated_at": "2022-09-04T14:38:42.182906Z",
"structure_string": "Th2 B8 O16\n1.0\n7.645317 -0.005614 3.378387\n6.482821 4.052645 3.378387\n-0.016916 -0.004846 7.326590\nTh B O\n2 8 16\ndirect\n0.192642 0.807357 0.750001 Th\n0.807357 0.192644 0.250000 Th\n0.452724 0.829556 0.008693 B\n0.547275 0.170445 0.991307 B\n0.829554 0.452726 0.508693 B\n0.170445 0.547276 0.491307 B\n0.000437 0.607650 0.203539 B\n0.607649 0.000437 0.703539 B\n0.999562 0.392351 0.796462 B\n0.392349 0.999564 0.296462 B\n0.935447 0.329215 0.703782 O\n0.708725 0.187468 0.986911 O\n0.812532 0.291275 0.513090 O\n0.329213 0.935448 0.203782 O\n0.064552 0.670786 0.296219 O\n0.670785 0.064553 0.796219 O\n0.506509 0.808332 0.491053 O\n0.070589 0.361724 0.332804 O\n0.493490 0.191669 0.508948 O\n0.808330 0.506510 0.991053 O\n0.638275 0.929412 0.167197 O\n0.187467 0.708726 0.486911 O\n0.361724 0.070589 0.832804 O\n0.929410 0.638277 0.667197 O\n0.191668 0.493491 0.008948 O\n0.291274 0.812533 0.013090 O\n",
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{
"id": "jvasp-112821",
"created_at": "2022-09-04T14:38:44.035837Z",
"updated_at": "2022-09-04T14:38:44.035861Z",
"structure_string": "Li5 Mn3 Ni2 O10\n1.0\n4.856383 0.006340 -1.130632\n-1.184420 4.658656 -1.494151\n-0.036924 0.018024 7.735273\nLi Mn Ni O\n5 3 2 10\ndirect\n0.199941 0.924963 0.423195 Li\n0.388773 0.285468 0.774724 Li\n0.499999 0.500002 0.499999 Li\n0.611230 0.714532 0.225278 Li\n0.800055 0.075043 0.576805 Li\n0.000002 0.499998 -0.000001 Mn\n0.689100 0.897839 0.891478 Mn\n0.310900 0.102162 0.108524 Mn\n0.900637 0.309024 0.313939 Ni\n0.099362 0.690977 0.686060 Ni\n0.638993 0.267021 0.040985 O\n0.042351 0.115184 0.871628 O\n0.361010 0.732974 0.959015 O\n0.143969 0.307613 0.550868 O\n0.232445 0.461281 0.222641 O\n0.465955 0.900566 0.669904 O\n0.534049 0.099436 0.330096 O\n0.767554 0.538714 0.777358 O\n0.856027 0.692392 0.449129 O\n0.957651 0.884811 0.128373 O\n",
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{
"id": "jvasp-37069",
"created_at": "2022-09-04T14:38:07.251269Z",
"updated_at": "2022-09-04T14:38:07.251297Z",
"structure_string": "Tb1 H3\n1.0\n2.596607 2.596607 0.000000\n2.596607 -0.000000 -2.596607\n0.000000 2.596607 -2.596607\nTb H\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500001 0.500001 0.500001 H\n0.250000 0.250000 0.250000 H\n0.750001 0.750001 0.750001 H\n",
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{
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"structure_string": "H16 C4 N2 Cl2\n1.0\n0.000000 4.397410 -0.039853\n5.918040 0.000000 0.000000\n0.000000 -0.446654 -8.068920\nH C N Cl\n16 4 2 2\ndirect\n0.031680 0.750000 0.974805 H\n0.252413 0.105276 0.126867 H\n0.298830 0.099063 0.440953 H\n0.793698 0.401412 0.279180 H\n0.206303 0.598588 0.720820 H\n0.206303 0.901412 0.720820 H\n0.747588 0.605276 0.873133 H\n0.701170 0.900937 0.559047 H\n0.252413 0.394724 0.126867 H\n0.701170 0.599063 0.559047 H\n0.747588 0.894724 0.873133 H\n0.022059 0.250000 0.551200 H\n0.977942 0.750000 0.448800 H\n0.298830 0.400937 0.440953 H\n0.968320 0.250000 0.025194 H\n0.793698 0.098588 0.279180 H\n0.152517 0.250000 0.438293 C\n0.939109 0.250000 0.285184 C\n0.847484 0.750000 0.561707 C\n0.060892 0.750000 0.714816 C\n0.116255 0.250000 0.131317 N\n0.883746 0.750000 0.868683 N\n0.396659 0.750000 0.161100 Cl\n0.603342 0.250000 0.838899 Cl\n",
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{
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"created_at": "2022-09-04T14:36:51.538053Z",
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"structure_string": "B2 H6 N2 F8\n1.0\n5.042159 -0.061490 -1.682405\n-1.114558 4.783568 -1.472139\n0.053291 0.058584 6.510956\nB H N F\n2 6 2 8\ndirect\n0.641638 0.746927 0.320586 B\n0.358362 0.253073 0.679415 B\n0.868047 0.704556 0.875857 H\n0.131952 0.295444 0.124144 H\n0.172584 0.875047 0.886636 H\n0.827415 0.124952 0.113365 H\n0.139349 0.842448 0.132357 H\n0.860651 0.157551 0.867644 H\n0.959662 0.131266 0.023171 N\n0.040337 0.868734 0.976830 N\n0.779065 0.862808 0.557904 F\n0.220934 0.137192 0.442097 F\n0.617044 0.963420 0.221602 F\n0.382955 0.036579 0.778399 F\n0.370124 0.601973 0.273032 F\n0.629876 0.398026 0.726969 F\n0.778749 0.565163 0.217842 F\n0.221250 0.434836 0.782159 F\n",
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{
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"created_at": "2022-09-04T14:37:27.086838Z",
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"structure_string": "Li5 V5 Cr2 O12\n1.0\n5.051971 0.232972 -0.139580\n2.414861 4.443549 0.139580\n-0.675478 1.078510 9.671259\nLi V Cr O\n5 5 2 12\ndirect\n0.158659 0.671136 0.512627 Li\n0.328022 0.830745 0.990475 Li\n0.671136 0.158659 0.987373 Li\n0.830744 0.328023 0.509525 Li\n0.922175 0.922175 0.750000 Li\n-0.002016 0.502460 0.989654 V\n0.502460 -0.002015 0.510346 V\n0.422032 0.422032 0.250000 V\n0.582968 0.582969 0.750000 V\n0.070518 0.070518 0.250000 V\n0.757361 0.757361 0.250000 Cr\n0.251057 0.251058 0.750000 Cr\n0.791227 0.034786 0.379211 O\n0.963815 0.211727 0.872058 O\n0.211727 0.963816 0.627942 O\n0.127438 0.367885 0.367644 O\n0.367885 0.127438 0.132356 O\n0.296172 0.531165 0.870637 O\n0.531165 0.296173 0.629363 O\n0.470142 0.715694 0.370928 O\n0.715694 0.470142 0.129072 O\n0.619773 0.875048 0.870627 O\n0.875048 0.619773 0.629373 O\n0.034786 0.791228 0.120789 O\n",
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}