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{
"id": "jvasp-56582",
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"structure_string": "Ca4 C8\n1.0\n6.060389 0.000000 0.000000\n-0.000000 6.060389 0.000000\n-0.000000 -0.000000 6.060389\nCa C\n4 8\ndirect\n0.250000 0.250000 0.750000 Ca\n0.750000 0.750000 0.750000 Ca\n0.250000 0.750000 0.250000 Ca\n0.750000 0.250000 0.250000 Ca\n0.591082 0.408918 0.591082 C\n0.091082 0.908918 0.908918 C\n0.091082 0.091082 0.091082 C\n0.408918 0.591082 0.591082 C\n0.591082 0.591082 0.408918 C\n0.908918 0.908918 0.091082 C\n0.408918 0.408918 0.408918 C\n0.908918 0.091082 0.908918 C\n",
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"structure_string": "H2 C4 S2 N2 O4\n1.0\n4.616567 0.011067 0.531423\n0.946582 5.993122 2.045002\n-0.092777 -0.053849 6.446713\nH C S N O\n2 4 2 2 4\ndirect\n0.431495 0.188086 0.596748 H\n0.431547 0.688087 0.096738 H\n0.915271 0.242000 0.718390 C\n0.629726 0.248191 0.851811 C\n0.915317 0.742007 0.218376 C\n0.629772 0.748192 0.351802 C\n0.599513 0.276588 0.098853 S\n0.599559 0.776580 0.598846 S\n0.411001 0.234663 0.737259 N\n0.411048 0.734670 0.237244 N\n0.949106 0.249159 0.527200 O\n0.949147 0.749182 0.027185 O\n0.139425 0.728085 0.348713 O\n0.139377 0.228093 0.848722 O\n",
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"formula_full": "H2 C4 S2 N2 O4",
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{
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"created_at": "2022-09-04T14:35:50.728979Z",
"updated_at": "2022-09-04T14:35:50.729006Z",
"structure_string": "Ca4 Be1 P1\n1.0\n0.000000 4.430889 4.430889\n4.430889 0.000000 4.430889\n4.430889 4.430889 0.000000\nCa Be P\n4 1 1\ndirect\n0.126953 0.624350 0.624350 Ca\n0.624350 0.624350 0.624350 Ca\n0.624350 0.126953 0.624350 Ca\n0.624350 0.624350 0.126953 Ca\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 P\n",
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"volume": 173.98131422473733,
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{
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"created_at": "2022-09-04T14:35:48.994596Z",
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"structure_string": "N4 O4\n1.0\n2.603770 2.582048 -1.190235\n2.603770 -2.582048 -1.190235\n-0.597845 0.000000 -7.480262\nN O\n4 4\ndirect\n0.839778 0.160221 0.249999 N\n0.160221 0.839777 0.749999 N\n0.586936 0.413063 0.249999 N\n0.413063 0.586936 0.749999 N\n0.632089 0.687410 0.114227 O\n0.312589 0.367911 0.385772 O\n0.367910 0.312589 0.885772 O\n0.687410 0.632088 0.614227 O\n",
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{
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"created_at": "2022-09-04T14:37:07.810703Z",
"updated_at": "2022-09-04T14:37:07.810730Z",
"structure_string": "Li2 C4 O4\n1.0\n3.260189 0.028512 -0.356309\n-0.845816 5.629740 -1.721428\n0.041553 -0.000437 5.947348\nLi C O\n2 4 4\ndirect\n0.499999 0.355138 0.644861 Li\n0.499999 0.644861 0.355138 Li\n0.000000 0.108709 0.891290 C\n0.167103 0.138938 0.138938 C\n-0.000000 0.891290 0.108709 C\n0.832892 0.861061 0.861062 C\n0.631119 0.693280 0.693280 O\n-0.000001 0.758933 0.241067 O\n-0.000002 0.241067 0.758933 O\n0.368880 0.306719 0.306719 O\n",
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{
"id": "jvasp-12058",
"created_at": "2022-09-04T14:37:04.133132Z",
"updated_at": "2022-09-04T14:37:04.133143Z",
"structure_string": "Si6 H2\n1.0\n-1.939104 -3.358626 0.000000\n-1.939139 3.358646 -0.000013\n-0.000036 0.000021 -11.374605\nSi H\n6 2\ndirect\n0.666666 0.333333 0.464546 Si\n0.333334 0.666667 0.535454 Si\n0.666662 0.333325 0.254296 Si\n0.333338 0.666675 0.745704 Si\n0.333323 0.666648 0.186629 Si\n0.666677 0.333352 0.813372 Si\n0.333335 0.666671 0.054110 H\n0.666665 0.333329 0.945890 H\n",
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{
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"created_at": "2022-09-04T14:38:51.348815Z",
"updated_at": "2022-09-04T14:38:51.348825Z",
"structure_string": "C1 Cl1 O2\n1.0\n3.488630 0.000000 -0.000000\n0.000000 3.488630 0.000000\n0.000000 0.000000 5.674039\nC Cl O\n1 1 2\ndirect\n0.500000 0.500000 0.597136 C\n0.000000 0.000000 0.167312 Cl\n0.000000 0.000000 0.446018 O\n0.500000 0.500000 0.799533 O\n",
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{
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"created_at": "2022-09-04T14:36:56.285577Z",
"updated_at": "2022-09-04T14:36:56.285597Z",
"structure_string": "Ca2 H16 C12 O8\n1.0\n4.288703 0.102658 -0.201105\n-0.085112 7.321279 -0.750481\n0.029140 0.082479 10.185207\nCa H C O\n2 16 12 8\ndirect\n0.035139 0.516880 0.217920 Ca\n0.035139 0.016880 0.217919 Ca\n0.206638 0.391349 0.660443 H\n0.206637 0.891350 0.660443 H\n0.239805 0.159323 0.605655 H\n0.239805 0.659323 0.605655 H\n0.761073 0.214430 0.512312 H\n0.761073 0.714430 0.512312 H\n0.736279 0.945195 0.568386 H\n0.736279 0.445195 0.568386 H\n0.698801 0.863828 0.806179 H\n0.709717 0.128048 0.757326 H\n0.709716 0.628048 0.757325 H\n0.162527 0.335011 0.891672 H\n0.162527 0.835011 0.891672 H\n0.172420 0.101115 0.845883 H\n0.172419 0.601115 0.845883 H\n0.698802 0.363828 0.806179 H\n0.377622 0.279820 0.641920 C\n0.323136 0.217981 0.878493 C\n0.323135 0.717981 0.878493 C\n0.552010 0.246486 0.772157 C\n0.552010 0.746485 0.772158 C\n0.377622 0.779820 0.641920 C\n0.431482 0.861112 0.404481 C\n0.593366 0.826126 0.534949 C\n0.448976 0.180760 0.015041 C\n0.448974 0.680761 0.015042 C\n0.431482 0.361111 0.404481 C\n0.593365 0.326125 0.534950 C\n0.560211 0.963973 0.328153 O\n0.163523 0.791206 0.373930 O\n0.163523 0.291206 0.373930 O\n0.690933 0.583602 0.031515 O\n0.690934 0.083602 0.031515 O\n0.279758 0.743656 0.111205 O\n0.279759 0.243657 0.111206 O\n0.560210 0.463973 0.328153 O\n",
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{
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"structure_string": "Rb1 Mg3\n1.0\n8.585410 1.061515 0.000000\n-1.686702 2.921455 0.000000\n0.000000 0.000000 5.124227\nRb Mg\n1 3\ndirect\n0.134075 0.634074 0.250000 Rb\n0.658995 0.658993 0.250000 Mg\n0.436527 0.436525 0.750000 Mg\n0.770403 0.270402 0.750000 Mg\n",
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{
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"structure_string": "Li1 Be1 Si1\n1.0\n-1.290495 1.290495 5.749445\n1.290495 -1.290495 5.749445\n1.290495 1.290495 -5.749445\nLi Be Si\n1 1 1\ndirect\n0.339752 0.339752 0.000000 Li\n0.009118 0.009118 0.000000 Be\n0.651130 0.651130 0.000000 Si\n",
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{
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