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{
"id": "jvasp-23046",
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"structure_string": "Zr8 Co16 P12\n1.0\n6.066459 -10.507414 -0.000000\n6.066459 10.507414 0.000000\n-0.000000 0.000000 3.675379\nZr Co P\n8 16 12\ndirect\n0.556505 0.556505 0.000000 Zr\n0.000000 0.443496 0.000000 Zr\n0.443496 0.000000 0.000000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.176930 0.176930 0.500000 Zr\n0.000000 0.823070 0.500000 Zr\n0.823070 0.000000 0.500000 Zr\n0.723047 0.723047 0.500000 Co\n0.178969 0.371853 0.000000 Co\n0.276953 0.000000 0.500000 Co\n0.000000 0.276953 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.873797 0.518411 0.500000 Co\n0.481590 0.355387 0.500000 Co\n0.644613 0.126203 0.500000 Co\n0.126203 0.644613 0.500000 Co\n0.518411 0.873797 0.500000 Co\n0.807115 0.628147 0.000000 Co\n0.821032 0.192885 0.000000 Co\n0.371853 0.178969 0.000000 Co\n0.192885 0.821032 0.000000 Co\n0.628147 0.807115 0.000000 Co\n0.355387 0.481590 0.500000 Co\n0.175604 0.000000 0.000000 P\n0.000000 0.175604 0.000000 P\n0.307787 0.826086 0.500000 P\n0.173914 0.481701 0.500000 P\n0.481701 0.173914 0.500000 P\n0.000000 0.653988 0.000000 P\n0.692213 0.518300 0.500000 P\n0.653988 0.000000 0.000000 P\n0.346012 0.346012 0.000000 P\n0.518300 0.692213 0.500000 P\n0.826086 0.307787 0.500000 P\n0.824396 0.824396 0.000000 P\n",
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{
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"structure_string": "Nd8 W4 O24\n1.0\n5.417960 0.000000 0.000000\n0.000000 9.356748 0.000000\n0.000000 0.000000 10.240560\nNd W O\n8 4 24\ndirect\n0.525730 0.104122 0.963032 Nd\n0.474270 0.604122 0.536968 Nd\n0.974270 0.895878 0.463032 Nd\n0.530154 0.218937 0.368993 Nd\n0.030154 0.281063 0.631007 Nd\n0.469846 0.718937 0.131007 Nd\n0.969846 0.781064 0.868993 Nd\n0.025730 0.395878 0.036968 Nd\n0.042760 0.003853 0.148840 W\n0.457240 0.996147 0.648840 W\n0.957240 0.503853 0.351160 W\n0.542759 0.496147 0.851160 W\n0.191880 0.863304 0.678489 O\n0.691880 0.636696 0.321511 O\n0.808119 0.363304 0.821511 O\n0.308119 0.136696 0.178489 O\n0.671703 0.950455 0.786265 O\n0.171703 0.549545 0.213735 O\n0.246711 0.090103 0.509756 O\n0.312695 0.136441 0.760615 O\n0.746711 0.409897 0.490244 O\n0.753289 0.590103 0.990244 O\n0.253289 0.909897 0.009756 O\n0.720521 0.110539 0.564709 O\n0.220521 0.389461 0.435291 O\n0.279479 0.610540 0.935291 O\n0.828297 0.049545 0.286265 O\n0.779479 0.889461 0.064709 O\n0.065744 0.649900 0.476081 O\n0.434256 0.350101 0.976081 O\n0.934256 0.149899 0.023919 O\n0.187305 0.863559 0.260615 O\n0.687305 0.636441 0.739385 O\n0.812695 0.363559 0.239385 O\n0.565744 0.850101 0.523919 O\n0.328297 0.450455 0.713735 O\n",
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{
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"created_at": "2022-09-04T14:36:14.579116Z",
"updated_at": "2022-09-04T14:36:14.579151Z",
"structure_string": "Li2 Dy2 P8 O24\n1.0\n6.446187 -0.000000 2.782927\n2.224021 7.719244 3.705649\n-0.001437 0.031662 8.860552\nLi Dy P O\n2 2 8 24\ndirect\n0.205936 0.750000 0.250000 Li\n0.794064 0.250000 0.750000 Li\n0.703089 0.750000 0.250000 Dy\n0.296911 0.250000 0.750000 Dy\n0.915445 0.114524 0.160062 P\n0.190030 0.385476 0.339938 P\n0.084555 0.885476 0.839938 P\n0.809970 0.614523 0.660062 P\n0.502575 0.196284 0.097218 P\n0.796077 0.303715 0.402782 P\n0.497425 0.803715 0.902783 P\n0.203923 0.696284 0.597218 P\n0.746390 0.473336 0.265387 O\n0.966757 0.737108 0.578116 O\n0.281981 0.762891 0.921884 O\n0.033244 0.262891 0.421884 O\n0.718019 0.237108 0.078116 O\n0.678771 0.642960 0.846190 O\n0.167922 0.857039 0.653810 O\n0.321229 0.357039 0.153810 O\n0.832078 0.142961 0.346190 O\n0.253610 0.526663 0.734613 O\n0.061989 0.074534 0.798764 O\n0.064712 0.574534 0.298764 O\n0.938011 0.925465 0.201236 O\n0.666216 0.683294 0.544660 O\n0.894170 0.816705 0.955341 O\n0.333784 0.316705 0.455341 O\n0.105830 0.183294 0.044660 O\n0.515589 0.222102 0.915372 O\n0.653064 0.277897 0.584628 O\n0.484411 0.777897 0.084628 O\n0.346937 0.722102 0.415372 O\n0.485113 0.026663 0.234613 O\n0.514887 0.973336 0.765387 O\n0.935288 0.425465 0.701236 O\n",
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{
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"created_at": "2022-09-04T14:36:32.017805Z",
"updated_at": "2022-09-04T14:36:32.017827Z",
"structure_string": "Al4 Te4 Cl28\n1.0\n6.381655 -0.023744 -0.752371\n-1.127175 8.194025 -0.455226\n0.132808 0.069729 19.340826\nAl Te Cl\n4 4 28\ndirect\n0.307884 0.098354 0.396503 Al\n0.709723 0.334589 0.877226 Al\n0.692117 0.901647 0.603497 Al\n0.290278 0.665412 0.122774 Al\n0.714863 0.274899 0.108893 Te\n0.253060 0.281999 0.619801 Te\n0.285137 0.725102 0.891107 Te\n0.746941 0.718002 0.380199 Te\n0.613700 0.049980 0.367980 Cl\n0.134190 0.966874 0.878733 Cl\n0.381725 0.147528 0.056160 Cl\n0.661219 0.130760 0.804137 Cl\n0.117092 0.163020 0.309053 Cl\n0.624303 0.291116 0.222674 Cl\n0.865408 0.740441 0.270033 Cl\n0.093866 0.715211 0.029033 Cl\n0.829666 0.113553 0.553218 Cl\n0.860847 0.550011 0.832395 Cl\n0.405695 0.587532 0.338063 Cl\n0.112703 0.526114 0.598807 Cl\n0.627227 0.696491 0.524856 Cl\n0.170335 0.886448 0.446782 Cl\n0.139154 0.449990 0.167605 Cl\n0.411185 0.392992 0.909157 Cl\n0.386300 0.950021 0.632020 Cl\n0.882909 0.836981 0.690947 Cl\n0.906134 0.284790 0.970967 Cl\n0.375697 0.708885 0.777326 Cl\n0.588816 0.607009 0.090843 Cl\n0.865811 0.033127 0.121267 Cl\n0.134593 0.259560 0.729967 Cl\n0.338781 0.869241 0.195863 Cl\n0.618275 0.852473 0.943840 Cl\n0.594306 0.412469 0.661937 Cl\n0.887298 0.473887 0.401193 Cl\n0.372774 0.303510 0.475144 Cl\n",
"nsites": 36,
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"elements": [
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{
"id": "jvasp-5767",
"created_at": "2022-09-04T14:37:42.314349Z",
"updated_at": "2022-09-04T14:37:42.314367Z",
"structure_string": "Pd12 S12 Cl12\n1.0\n0.000000 7.729347 -0.027330\n11.979054 0.000000 0.000000\n0.000000 -3.299926 -8.624024\nPd S Cl\n12 12 12\ndirect\n0.603628 0.372530 0.098010 Pd\n0.349047 0.750000 0.439562 Pd\n0.650953 0.250000 0.560438 Pd\n0.658807 0.750000 0.795286 Pd\n0.909872 0.125465 0.453288 Pd\n0.090128 0.625465 0.546712 Pd\n0.341193 0.250000 0.204714 Pd\n0.909872 0.374535 0.453288 Pd\n0.603628 0.127469 0.098010 Pd\n0.396372 0.627469 0.901989 Pd\n0.396372 0.872530 0.901989 Pd\n0.090128 0.874535 0.546712 Pd\n0.918081 0.339670 0.208671 S\n0.360337 0.970461 0.678110 S\n0.918081 0.160330 0.208671 S\n0.081919 0.660330 0.791329 S\n0.081919 0.839670 0.791329 S\n0.548678 0.878597 0.598339 S\n0.451322 0.378597 0.401661 S\n0.639663 0.470461 0.321889 S\n0.548678 0.621402 0.598339 S\n0.639663 0.029538 0.321889 S\n0.360337 0.529538 0.678110 S\n0.451322 0.121403 0.401661 S\n0.587707 0.250000 0.886264 Cl\n0.728871 0.603944 0.985942 Cl\n0.271129 0.103944 0.014058 Cl\n0.412292 0.750000 0.113736 Cl\n0.728871 0.896055 0.985942 Cl\n0.168189 0.250000 0.568075 Cl\n0.140265 0.897083 0.304426 Cl\n0.140265 0.602916 0.304426 Cl\n0.859735 0.102916 0.695574 Cl\n0.859735 0.397083 0.695574 Cl\n0.831810 0.750000 0.431925 Cl\n0.271129 0.396056 0.014058 Cl\n",
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{
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"created_at": "2022-09-04T14:38:07.578166Z",
"updated_at": "2022-09-04T14:38:07.578191Z",
"structure_string": "Rb4 Ga12 S20\n1.0\n7.185208 0.027608 0.000000\n-2.152187 9.884328 0.000000\n0.000000 0.000000 12.743839\nRb Ga S\n4 12 20\ndirect\n0.161608 0.408120 0.608301 Rb\n0.838392 0.091880 0.108301 Rb\n0.838392 0.591880 0.391699 Rb\n0.161608 0.908120 0.891699 Rb\n0.714633 0.376228 0.833218 Ga\n0.285367 0.623773 0.166783 Ga\n0.557575 0.701559 0.899228 Ga\n0.796765 0.600364 0.084046 Ga\n0.557576 0.201559 0.600772 Ga\n0.714633 0.876228 0.666783 Ga\n0.442425 0.298442 0.100772 Ga\n0.442424 0.798442 0.399228 Ga\n0.796765 0.100364 0.415954 Ga\n0.203235 0.899636 0.584046 Ga\n0.203235 0.399636 0.915954 Ga\n0.285367 0.123773 0.333218 Ga\n0.058066 0.247248 0.358678 S\n0.345163 0.585353 0.338939 S\n0.654837 0.914647 0.838939 S\n0.058066 0.747248 0.141322 S\n0.941934 0.252752 0.858678 S\n0.435988 0.262728 0.916854 S\n0.564012 0.737272 0.083146 S\n0.719453 0.403817 0.170771 S\n0.941934 0.752752 0.641322 S\n0.185779 0.406677 0.099980 S\n0.814221 0.093323 0.599980 S\n0.435988 0.762728 0.583146 S\n0.654837 0.414647 0.661061 S\n0.719453 0.903818 0.329229 S\n0.185779 0.906677 0.400020 S\n0.280547 0.096183 0.670771 S\n0.564012 0.237272 0.416854 S\n0.280547 0.596183 0.829229 S\n0.814221 0.593323 0.900020 S\n0.345163 0.085353 0.161061 S\n",
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{
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"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842629 0.003699\n7.642611 0.000000 0.000000\n0.000000 -0.030760 -9.706472\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991970 0.393721 0.836444 Ca\n0.008030 0.893721 0.663555 Ca\n0.008030 0.606279 0.163555 Ca\n0.991970 0.106279 0.336444 Ca\n0.529269 0.732425 0.915931 Si\n0.470731 0.232425 0.584068 Si\n0.470731 0.267575 0.084069 Si\n0.529269 0.767575 0.415931 Si\n0.428425 0.911363 0.159020 B\n0.571575 0.411363 0.340980 B\n0.571575 0.088637 0.840979 B\n0.428425 0.588637 0.659020 B\n0.809999 0.535134 0.577354 H\n0.190001 0.035134 0.922646 H\n0.809999 0.964866 0.077354 H\n0.190001 0.464866 0.422646 H\n0.678288 0.335251 0.211212 O\n0.261007 0.413739 0.336696 O\n0.738994 0.913739 0.163304 O\n0.687385 0.588984 0.354286 O\n0.312615 0.088984 0.145714 O\n0.312615 0.411016 0.645714 O\n0.687385 0.911015 0.854286 O\n0.321712 0.835251 0.288788 O\n0.678288 0.164749 0.711212 O\n0.241711 0.095460 0.535986 O\n0.325914 0.697578 0.542353 O\n0.674086 0.197578 0.957647 O\n0.674086 0.302422 0.457647 O\n0.325914 0.802422 0.042353 O\n0.758289 0.904540 0.464013 O\n0.241711 0.404540 0.035986 O\n0.261007 0.086261 0.836696 O\n0.758289 0.595460 0.964013 O\n0.321712 0.664749 0.788788 O\n0.738994 0.586261 0.663304 O\n",
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{
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"created_at": "2022-09-04T14:38:18.721254Z",
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"structure_string": "K2 Sm2 P8 O24\n1.0\n7.174526 0.016914 -1.394145\n-3.435952 6.298281 -1.394145\n0.003951 0.006675 10.582167\nK Sm P O\n2 2 8 24\ndirect\n0.681024 0.318976 0.750001 K\n0.318976 0.681024 0.250001 K\n0.380647 0.619354 0.750001 Sm\n0.619354 0.380646 0.250000 Sm\n0.804659 0.763100 0.064384 P\n0.763101 0.804659 0.564384 P\n0.195341 0.236900 0.935617 P\n0.866741 0.214486 0.501549 P\n0.133260 0.785514 0.498452 P\n0.214486 0.866740 0.001549 P\n0.236899 0.195341 0.435617 P\n0.785514 0.133259 -0.001548 P\n0.324767 0.804260 0.594252 O\n0.416857 0.007547 0.114822 O\n0.992453 0.583143 0.385179 O\n0.583143 0.992453 0.885179 O\n0.007548 0.416857 0.614822 O\n0.195741 0.675234 0.905750 O\n0.141512 -0.008266 0.912547 O\n0.339635 0.363991 0.076835 O\n0.008267 0.858488 0.587454 O\n0.858488 0.008266 0.087454 O\n-0.008267 0.141512 0.412547 O\n0.965234 0.219009 0.923981 O\n0.780991 0.034766 0.576021 O\n0.034767 0.780991 0.076021 O\n0.675234 0.195740 0.405749 O\n0.219009 0.965234 0.423981 O\n0.702627 0.745702 0.683074 O\n0.745703 0.702626 0.183073 O\n0.297373 0.254298 0.316928 O\n0.363992 0.339635 0.576835 O\n0.660366 0.636009 0.923166 O\n0.636009 0.660365 0.423166 O\n0.254298 0.297374 0.816928 O\n0.804260 0.324766 0.094252 O\n",
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{
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