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{
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"structure_string": "Ca4 B12 H20 O32\n1.0\n6.072599 -0.036451 0.000000\n-3.042613 8.236271 0.000000\n0.000000 0.000000 11.147915\nCa B H O\n4 12 20 32\ndirect\n0.262041 0.118711 0.705760 Ca\n0.739710 0.386214 0.289162 Ca\n0.260290 0.613786 0.789163 Ca\n0.737960 0.881289 0.205760 Ca\n0.318144 0.084088 0.289871 B\n0.508971 0.974272 0.449769 B\n0.166329 0.786483 0.331657 B\n0.491030 0.025728 0.949770 B\n0.495862 0.528024 0.551216 B\n0.681856 0.915912 0.789872 B\n0.837355 0.715231 0.669834 B\n0.833671 0.213517 0.831657 B\n0.680567 0.421978 0.718649 B\n0.319434 0.578022 0.218648 B\n0.162645 0.284769 0.169834 B\n0.504138 0.471976 0.051216 B\n0.698626 0.820648 0.473728 H\n0.704387 0.324593 0.022261 H\n0.657393 0.646344 0.924324 H\n0.342607 0.353656 0.424324 H\n0.978294 0.042378 0.474770 H\n0.319479 0.939638 0.110187 H\n0.765722 0.306368 0.535092 H\n0.027878 0.449188 0.527451 H\n0.234279 0.693632 0.035092 H\n0.966278 0.776039 0.000162 H\n0.301375 0.179352 0.973728 H\n0.861023 0.666859 0.421615 H\n0.140495 0.835884 0.578305 H\n0.138977 0.333141 0.921615 H\n0.295613 0.675407 0.522261 H\n0.972123 0.550812 0.027450 H\n0.680522 0.060362 0.610188 H\n0.021707 0.957622 0.974770 H\n0.859506 0.164116 0.078304 H\n0.033723 0.223961 0.500162 H\n0.096807 0.641623 0.983774 O\n0.321063 0.725678 0.258629 O\n0.481476 0.412196 0.652596 O\n0.705549 0.916096 0.422680 O\n0.721848 0.664769 0.553125 O\n0.516315 0.549597 0.933725 O\n0.722585 0.160165 0.948251 O\n0.681049 0.770450 0.746105 O\n0.481887 0.905312 0.853880 O\n0.071771 0.837240 0.659852 O\n0.464216 0.946030 0.068545 O\n0.862939 0.567082 0.730559 O\n0.318951 0.229550 0.246104 O\n0.518524 0.587804 0.152595 O\n0.928229 0.162760 0.159852 O\n0.070464 0.332969 0.839993 O\n0.903194 0.358377 0.483774 O\n0.146618 0.935116 0.266488 O\n0.535785 0.053970 0.568545 O\n0.104929 0.138002 0.510211 O\n0.895072 0.861998 0.010211 O\n0.277416 0.839835 0.448251 O\n0.289443 0.580388 0.573583 O\n0.483685 0.450403 0.433725 O\n0.710558 0.419612 0.073582 O\n0.278153 0.335231 0.053125 O\n0.137061 0.432918 0.230559 O\n0.929537 0.667031 0.339993 O\n0.294451 0.083904 0.922680 O\n0.518114 0.094688 0.353879 O\n0.678937 0.274322 0.758629 O\n0.853382 0.064884 0.766489 O\n",
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{
"id": "jvasp-98264",
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"structure_string": "Sn4 H32 C16 O16\n1.0\n5.771032 0.000000 0.000000\n0.000000 9.509983 0.000000\n0.000000 0.000000 12.079946\nSn H C O\n4 32 16 16\ndirect\n0.068476 0.250000 0.696864 Sn\n0.568476 0.750000 0.803137 Sn\n0.931524 0.750000 0.303137 Sn\n0.431524 0.250000 0.196863 Sn\n0.657332 0.250000 0.591427 H\n0.772155 0.750000 0.089396 H\n0.370554 0.655478 0.988296 H\n0.342668 0.750000 0.408573 H\n0.870554 0.344522 0.511705 H\n0.272156 0.250000 0.410604 H\n0.227844 0.250000 0.910604 H\n0.034771 0.440379 0.914262 H\n0.870554 0.155478 0.511705 H\n0.370554 0.844522 0.988296 H\n0.034771 0.059620 0.914262 H\n0.921212 0.655607 0.678481 H\n0.629446 0.155478 0.011705 H\n0.157332 0.750000 0.908573 H\n0.965229 0.559620 0.085738 H\n0.727844 0.750000 0.589396 H\n0.465229 0.440379 0.414262 H\n0.578787 0.655607 0.178481 H\n0.534770 0.559620 0.585738 H\n0.129446 0.844522 0.488296 H\n0.078787 0.155607 0.321519 H\n0.965229 0.940379 0.085738 H\n0.465229 0.059620 0.414262 H\n0.129446 0.655478 0.488296 H\n0.421213 0.344393 0.821520 H\n0.842667 0.250000 0.091427 H\n0.629446 0.344522 0.011705 H\n0.578787 0.844392 0.178481 H\n0.921212 0.844392 0.678481 H\n0.421213 0.155607 0.821520 H\n0.534770 0.940379 0.585738 H\n0.078787 0.344393 0.321519 H\n0.105354 0.516099 0.137602 C\n0.685366 0.750000 0.169884 C\n0.185366 0.250000 0.330117 C\n0.814633 0.750000 0.669884 C\n0.394646 0.983901 0.637603 C\n0.164833 0.750000 0.439533 C\n0.394646 0.516099 0.637603 C\n0.664833 0.250000 0.060467 C\n0.894646 0.016099 0.862398 C\n0.605353 0.016099 0.362398 C\n0.105354 0.983901 0.137602 C\n0.335166 0.750000 0.939534 C\n0.605353 0.483901 0.362398 C\n0.314634 0.250000 0.830117 C\n0.835166 0.250000 0.560467 C\n0.894646 0.483901 0.862398 C\n0.844312 0.423098 0.771591 O\n0.292941 0.092336 0.600285 O\n0.655688 0.076902 0.271591 O\n0.292941 0.407664 0.600285 O\n0.707059 0.592335 0.399715 O\n0.792940 0.907664 0.899715 O\n0.792940 0.592335 0.899715 O\n0.344312 0.576902 0.728409 O\n0.844312 0.076902 0.771591 O\n0.207059 0.092336 0.100285 O\n0.155688 0.923098 0.228409 O\n0.207059 0.407664 0.100285 O\n0.344312 0.923098 0.728409 O\n0.655688 0.423098 0.271591 O\n0.707059 0.907664 0.399715 O\n0.155688 0.576902 0.228409 O\n",
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{
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{
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{
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"created_at": "2022-09-04T14:35:48.921659Z",
"updated_at": "2022-09-04T14:35:48.921682Z",
"structure_string": "Si24 O48\n1.0\n7.825457 -0.000000 2.664989\n2.589076 11.837656 5.219259\n-0.126374 -0.075677 13.192892\nSi O\n24 48\ndirect\n0.752266 0.623100 0.494138 Si\n0.866176 0.378432 0.269887 Si\n0.485507 0.769887 0.878431 Si\n0.698033 0.235498 0.735497 Si\n0.752266 0.994138 0.123099 Si\n0.130498 0.994138 0.123099 Si\n0.060662 0.377869 0.877869 Si\n0.485507 0.378432 0.269887 Si\n0.133825 0.230113 0.121568 Si\n0.869504 0.376901 0.505862 Si\n0.316399 0.622131 0.122131 Si\n0.866176 0.769887 0.878431 Si\n0.869504 0.005862 0.876900 Si\n0.669028 0.764503 0.264502 Si\n0.133825 0.621568 0.730113 Si\n0.514494 0.621568 0.730113 Si\n0.939340 0.622131 0.122131 Si\n0.330973 0.235498 0.735497 Si\n0.130498 0.623100 0.494138 Si\n0.247735 0.005862 0.876900 Si\n0.683602 0.377869 0.877869 Si\n0.301968 0.764503 0.264502 Si\n0.514494 0.230113 0.121568 Si\n0.247735 0.376901 0.505862 Si\n0.666307 0.640796 0.615879 O\n0.228635 0.900035 0.220286 O\n0.145278 0.297846 0.797846 O\n0.044241 0.368935 0.542585 O\n0.261084 0.000000 -0.000000 O\n0.738917 0.000000 -0.000000 O\n0.848914 0.401087 0.901087 O\n0.876042 0.682516 0.004207 O\n0.240970 0.702154 0.202154 O\n0.738917 0.500000 0.500000 O\n0.123959 0.317484 0.995793 O\n0.331951 0.198060 0.138038 O\n0.044241 0.042585 0.868934 O\n0.485712 0.264288 0.764288 O\n0.922982 0.359204 0.384121 O\n0.666306 0.115879 0.140796 O\n0.077019 0.115879 0.140796 O\n0.000001 0.714321 0.785679 O\n0.854723 0.702154 0.202154 O\n0.437236 0.682516 0.004207 O\n0.651045 0.900035 0.220286 O\n0.331952 0.638038 0.698060 O\n0.261084 0.500000 0.500000 O\n0.668050 0.801940 0.861961 O\n0.651045 0.720286 0.400035 O\n0.771366 0.279714 0.599965 O\n0.228635 0.720286 0.400035 O\n0.500000 0.285679 0.214321 O\n0.077020 0.640796 0.615879 O\n0.514289 0.735712 0.235711 O\n0.151088 0.598913 0.098913 O\n0.876042 0.504207 0.182516 O\n0.348957 0.099965 0.779714 O\n0.668050 0.361962 0.301940 O\n0.333695 0.359204 0.384121 O\n0.123959 0.495793 0.817484 O\n0.437236 0.504207 0.182516 O\n0.955761 0.631066 0.457414 O\n0.348957 0.279714 0.599965 O\n0.333695 0.884121 0.859203 O\n0.955761 0.957415 0.131065 O\n0.771366 0.099965 0.779714 O\n0.500001 0.714321 0.785679 O\n0.000000 0.285679 0.214321 O\n0.922982 0.884121 0.859203 O\n0.562765 0.495793 0.817484 O\n0.759032 0.297846 0.797846 O\n0.562765 0.317484 0.995793 O\n",
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}