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{
"id": "jvasp-98342",
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"structure_string": "V2 H20 S2 O20\n1.0\n6.542802 -0.798307 0.201861\n-1.678327 11.081415 -1.358854\n0.129877 -0.628234 6.612697\nV H S O\n2 20 2 20\ndirect\n0.399369 0.750093 0.575498 V\n0.091262 0.241927 0.053651 V\n0.630579 0.211809 0.105224 H\n-0.193988 0.749315 0.506910 H\n0.698558 0.641169 0.632743 H\n0.145401 0.405387 0.684676 H\n0.170255 0.473122 0.677701 H\n0.551138 0.599760 -0.003005 H\n0.620483 0.604904 0.084971 H\n0.265131 0.139232 0.610058 H\n0.794197 0.165299 0.662234 H\n0.302144 0.445649 0.245913 H\n0.794775 0.877462 0.205889 H\n0.331898 -0.003065 -0.051046 H\n0.650851 -0.064375 -0.003174 H\n0.233919 -0.048501 0.485449 H\n0.647258 -0.010930 0.495628 H\n0.084691 0.005774 0.381819 H\n0.844424 0.146842 0.422096 H\n0.303096 0.759468 0.922907 H\n0.796101 0.848544 0.885325 H\n0.340204 -0.024152 0.173624 H\n0.057876 0.602163 0.159718 S\n0.709327 0.377262 0.500788 S\n0.655278 0.473823 0.658943 O\n0.390483 -0.048718 0.029879 O\n0.789600 0.916665 0.004082 O\n-0.111109 0.552076 0.298689 O\n0.232321 0.025332 0.420707 O\n0.729836 0.126416 0.525605 O\n0.294334 0.206447 0.744474 O\n0.867226 0.274105 0.939414 O\n0.079176 0.733317 0.153555 O\n0.032534 0.196159 0.270862 O\n0.217032 0.128442 0.897985 O\n0.698346 0.166485 -0.014597 O\n0.236768 0.840846 0.593170 O\n0.606103 0.891304 0.446568 O\n0.347472 0.696214 0.814146 O\n0.274825 0.388503 0.109388 O\n0.319003 0.625588 0.379428 O\n0.553662 0.313129 0.338542 O\n0.808612 0.871325 0.359895 O\n-0.290454 0.728394 0.622683 O\n",
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{
"id": "jvasp-97933",
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"structure_string": "Mg4 H24 Br8 N8\n1.0\n5.904854 0.000000 0.000000\n0.000000 11.815269 0.000000\n-0.000000 0.000000 7.944611\nMg H Br N\n4 24 8 8\ndirect\n0.497778 0.499913 0.250000 Mg\n0.997778 0.000087 0.250000 Mg\n0.502221 0.500087 0.750000 Mg\n0.002221 -0.000087 0.750000 Mg\n0.759747 0.816541 0.147682 H\n0.259747 0.683459 0.352318 H\n0.240252 0.183459 0.647682 H\n0.740252 0.316541 0.852318 H\n0.240252 0.183459 0.852318 H\n0.740252 0.316541 0.647682 H\n0.259747 0.683459 0.147682 H\n0.417116 0.101661 0.750000 H\n0.917115 0.398339 0.750000 H\n0.582884 0.898339 0.250000 H\n0.082884 0.601661 0.250000 H\n0.759747 0.816541 0.352318 H\n0.868646 0.384232 0.352422 H\n0.631353 0.884232 0.647578 H\n0.131354 0.615768 0.852422 H\n0.631353 0.884232 0.852422 H\n0.131354 0.615768 0.647578 H\n0.368646 0.115768 0.352422 H\n0.868646 0.384232 0.147578 H\n0.792160 0.794331 0.750000 H\n0.292160 0.705669 0.750000 H\n0.207839 0.205669 0.250000 H\n0.707839 0.294331 0.250000 H\n0.368646 0.115768 0.147578 H\n0.275358 0.385415 0.001853 Br\n0.775357 0.114585 0.498146 Br\n0.724642 0.614585 0.501853 Br\n0.224642 0.885415 0.998146 Br\n0.275358 0.385415 0.498146 Br\n0.224642 0.885415 0.501853 Br\n0.775357 0.114585 0.001853 Br\n0.724642 0.614585 0.998146 Br\n0.753300 0.369409 0.750000 N\n0.763293 0.376591 0.250000 N\n0.263293 0.123409 0.250000 N\n0.236706 0.623409 0.750000 N\n0.736706 0.876591 0.750000 N\n0.246699 0.630591 0.250000 N\n0.746699 0.869409 0.250000 N\n0.253300 0.130591 0.750000 N\n",
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{
"id": "jvasp-97448",
"created_at": "2022-09-04T14:36:14.398992Z",
"updated_at": "2022-09-04T14:36:14.399028Z",
"structure_string": "Sb4 S4 Br12 F24\n1.0\n8.038151 0.000000 0.000000\n0.000000 9.036977 0.000000\n0.000000 0.000000 12.546583\nSb S Br F\n4 4 12 24\ndirect\n0.313699 0.965518 0.185355 Sb\n0.686301 0.465518 0.314645 Sb\n0.186301 0.034483 0.685355 Sb\n0.813699 0.534483 0.814645 Sb\n0.644629 0.024956 0.476025 S\n0.355371 0.524956 0.023975 S\n0.144629 0.475045 0.523975 S\n0.855371 0.975045 0.976024 S\n0.208996 0.315360 0.399089 Br\n0.708996 0.184640 0.600910 Br\n0.640395 0.813041 0.562250 Br\n0.791004 0.815360 0.100910 Br\n0.133188 0.503558 0.127549 Br\n0.859605 0.186960 0.062250 Br\n0.866812 0.003558 0.372451 Br\n0.633188 0.996443 0.872451 Br\n0.140395 0.686960 0.437750 Br\n0.366812 0.496442 0.627549 Br\n0.291004 0.684640 0.899089 Br\n0.359605 0.313041 0.937750 Br\n0.220216 0.155345 0.222906 F\n0.302230 0.027851 0.551325 F\n0.900720 0.726375 0.850937 F\n0.400720 0.773626 0.149063 F\n0.619663 0.625178 0.750470 F\n0.802230 0.472149 0.448674 F\n0.002009 0.437720 0.875965 F\n0.697770 0.527851 0.948674 F\n0.497991 0.562280 0.375965 F\n0.119663 0.874822 0.249530 F\n0.921748 0.548090 0.678793 F\n0.720216 0.344655 0.777094 F\n0.880337 0.374822 0.250470 F\n0.197770 0.972150 0.051326 F\n0.779783 0.655345 0.277094 F\n0.421748 0.951911 0.321207 F\n0.279784 0.844655 0.722906 F\n0.099280 0.226375 0.649062 F\n0.599280 0.273625 0.350937 F\n0.380337 0.125178 0.749530 F\n0.078252 0.048089 0.821207 F\n0.578251 0.451911 0.178793 F\n-0.002009 0.937720 0.624035 F\n0.502009 0.062280 0.124035 F\n",
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{
"id": "jvasp-87187",
"created_at": "2022-09-04T14:36:15.456151Z",
"updated_at": "2022-09-04T14:36:15.456174Z",
"structure_string": "Rb4 Fe4 P8 O28\n1.0\n7.511184 0.007102 0.000000\n-2.234084 8.025736 0.000000\n0.000000 0.000000 10.055144\nRb Fe P O\n4 4 8 28\ndirect\n0.816331 0.455193 0.811058 Rb\n0.816332 0.955193 0.688942 Rb\n0.183668 0.044807 0.311058 Rb\n0.183669 0.544807 0.188942 Rb\n0.764713 0.738361 0.098530 Fe\n0.235287 0.761639 0.598530 Fe\n0.235287 0.261639 0.901470 Fe\n0.764713 0.238361 0.401470 Fe\n0.862259 0.665794 0.407469 P\n0.137741 0.834206 0.907468 P\n0.862259 0.165794 0.092531 P\n0.137741 0.334206 0.592531 P\n0.438821 0.187289 0.635721 P\n0.438821 0.687290 0.864279 P\n0.561179 0.812711 0.364279 P\n0.561179 0.312711 0.135721 P\n0.364780 0.274123 0.080591 O\n0.635219 0.225877 0.580590 O\n0.635220 0.725878 0.919409 O\n0.364781 0.774123 0.419409 O\n0.912182 0.236266 0.232638 O\n0.087818 0.263734 0.732638 O\n0.554380 0.263508 0.283235 O\n0.659021 0.687380 0.443103 O\n0.445620 0.236492 0.783235 O\n0.445620 0.736492 0.716765 O\n0.554380 0.763508 0.216764 O\n-0.004744 0.273066 0.991830 O\n0.004744 0.226935 0.491830 O\n0.004745 0.726935 0.008171 O\n-0.004743 0.773066 0.508170 O\n0.679791 0.487519 0.104714 O\n0.912182 0.736267 0.267362 O\n0.320209 0.012481 0.604714 O\n0.679791 0.987520 0.395286 O\n0.848777 0.982029 0.082949 O\n0.151224 0.517971 0.582948 O\n0.151224 0.017971 0.917051 O\n0.848776 0.482029 0.417051 O\n0.659021 0.187380 0.056897 O\n0.340979 0.312620 0.556897 O\n0.340979 0.812620 0.943103 O\n0.320209 0.512481 0.895286 O\n0.087818 0.763734 0.767362 O\n",
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{
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"updated_at": "2022-09-04T14:36:18.206304Z",
"structure_string": "Co4 Bi8 S4 O28\n1.0\n5.393845 0.000000 0.000000\n0.000000 7.152484 0.000000\n0.000000 0.000000 15.827048\nCo Bi S O\n4 8 4 28\ndirect\n0.250000 0.948236 0.674250 Co\n0.250000 0.051764 0.174250 Co\n0.750001 0.051764 0.325750 Co\n0.750001 0.948236 0.825750 Co\n0.750001 0.826562 0.519157 Bi\n0.750001 0.234590 0.658677 Bi\n0.250000 0.234590 0.841323 Bi\n0.750001 0.765409 0.158677 Bi\n0.750001 0.173438 0.019157 Bi\n0.250000 0.765409 0.341323 Bi\n0.250000 0.826562 0.980843 Bi\n0.250000 0.173438 0.480843 Bi\n0.750001 0.590600 0.887319 S\n0.250000 0.409399 0.112681 S\n0.250000 0.590600 0.612681 S\n0.750001 0.409399 0.387319 S\n0.502558 0.955341 0.082410 O\n0.497443 0.044658 0.917590 O\n0.997444 0.955341 0.082410 O\n0.250000 0.386714 0.018896 O\n0.472550 0.314854 0.150280 O\n0.000000 0.918384 0.250000 O\n0.750001 0.387708 0.864630 O\n0.750001 0.613285 0.981104 O\n0.250000 0.612292 0.135370 O\n0.972550 0.314854 0.349720 O\n0.750001 0.386714 0.481104 O\n0.527451 0.314854 0.349720 O\n0.250000 0.613285 0.518896 O\n0.527451 0.685145 0.849721 O\n0.972550 0.685145 0.849721 O\n0.497443 0.955341 0.417590 O\n0.500000 0.081615 0.750000 O\n0.502558 0.044658 0.582411 O\n0.002557 0.955341 0.417590 O\n0.997444 0.044658 0.582411 O\n0.002557 0.044658 0.917590 O\n0.472550 0.685145 0.650280 O\n0.500000 0.918384 0.250000 O\n0.750001 0.612292 0.364630 O\n0.027451 0.685145 0.650280 O\n0.027451 0.314854 0.150280 O\n0.000000 0.081615 0.750000 O\n0.250000 0.387708 0.635370 O\n",
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{
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"structure_string": "Ba8 P8 O28\n1.0\n9.354704 -0.000000 0.000000\n0.000000 5.640821 0.000000\n0.000000 0.000000 13.869698\nBa P O\n8 8 28\ndirect\n0.363884 0.250000 0.083124 Ba\n0.863884 0.250000 0.416876 Ba\n0.636115 0.750000 0.916876 Ba\n0.136116 0.750000 0.583124 Ba\n0.340778 0.250000 0.754247 Ba\n0.840778 0.250000 0.745753 Ba\n0.659221 0.750000 0.245753 Ba\n0.159222 0.750000 0.254247 Ba\n0.545459 0.750000 0.683368 P\n0.454541 0.250000 0.316632 P\n0.954541 0.250000 0.183368 P\n0.045459 0.750000 0.816632 P\n0.280895 0.750000 0.957863 P\n0.219105 0.250000 0.457863 P\n0.719105 0.250000 0.042137 P\n0.780894 0.750000 0.542137 P\n0.614810 0.750000 0.575162 O\n0.904873 0.025021 0.235879 O\n0.404874 0.474979 0.264121 O\n0.095126 0.525021 0.764121 O\n0.595126 0.974979 0.735879 O\n0.595126 0.525021 0.735879 O\n0.904873 0.474979 0.235879 O\n0.404874 0.025021 0.264121 O\n0.115662 0.250000 0.167334 O\n0.615662 0.250000 0.332666 O\n0.114810 0.750000 0.924838 O\n0.095126 0.974979 0.764121 O\n0.385190 0.250000 0.424838 O\n0.854663 0.526081 0.581214 O\n0.777112 0.750000 0.431554 O\n0.277112 0.750000 0.068446 O\n0.222888 0.250000 0.568446 O\n0.722887 0.250000 0.931554 O\n0.145337 0.026081 0.418787 O\n0.645337 0.473919 0.081214 O\n0.884338 0.750000 0.832666 O\n0.354663 0.973919 0.918787 O\n0.854663 0.973919 0.581214 O\n0.354663 0.526081 0.918787 O\n0.145337 0.473919 0.418787 O\n0.645337 0.026081 0.081214 O\n0.885190 0.250000 0.075162 O\n0.384338 0.750000 0.667334 O\n",
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{
"id": "jvasp-98746",
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