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{
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"structure_string": "Sb4 Xe4 O4 F36\n1.0\n8.539581 -0.040166 -0.369741\n-2.599516 8.780000 -3.334725\n0.016140 -0.068660 10.055199\nSb Xe O F\n4 4 4 36\ndirect\n0.925504 0.747057 0.251630 Sb\n0.433577 0.775896 0.585864 Sb\n0.074496 0.252943 0.748370 Sb\n0.566422 0.224103 0.414136 Sb\n0.560832 0.228757 0.878765 Xe\n0.925846 0.795198 0.723374 Xe\n0.439167 0.771243 0.121234 Xe\n0.074153 0.204802 0.276625 Xe\n0.102766 0.884668 0.864669 O\n0.266480 0.786834 0.019821 O\n0.733519 0.213165 0.980178 O\n0.897233 0.115332 0.135330 O\n0.746781 0.139784 0.401565 F\n0.685879 0.427771 0.865870 F\n0.869166 0.531052 0.166841 F\n0.778942 0.650169 0.795025 F\n0.064407 0.228475 0.927369 F\n0.412841 0.748371 0.762665 F\n0.253218 0.860216 0.598435 F\n0.587158 0.251629 0.237335 F\n0.695050 0.741635 0.235200 F\n0.479098 0.368515 0.039770 F\n0.221057 0.349831 0.204975 F\n0.153740 0.770733 0.285201 F\n0.363252 0.281209 0.421688 F\n0.314120 0.572228 0.134130 F\n0.023442 0.028557 0.656121 F\n0.846259 0.229266 0.714798 F\n0.691247 0.427760 0.521946 F\n0.976558 0.971442 0.343879 F\n0.522735 0.185728 0.585654 F\n0.426385 0.013292 0.306793 F\n0.520901 0.631485 0.960230 F\n0.304949 0.258364 0.764800 F\n0.130833 0.468948 0.833159 F\n0.935592 0.771524 0.072630 F\n0.009887 0.615236 0.629051 F\n0.096510 0.260765 0.561441 F\n0.477264 0.814271 0.414345 F\n0.806992 0.939145 0.839807 F\n0.193007 0.060854 0.160192 F\n0.606089 0.932995 0.078882 F\n0.636748 0.718790 0.578312 F\n0.308752 0.572240 0.478053 F\n-0.009887 0.384764 0.370949 F\n0.393910 0.067005 0.921118 F\n0.903490 0.739235 0.438558 F\n0.573614 0.986708 0.693207 F\n",
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{
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"structure_string": "Mg10 Tl4\n1.0\n5.777345 -0.000226 -2.228512\n-1.212274 6.560206 -3.138153\n0.007768 -0.017831 8.613445\nMg Tl\n10 4\ndirect\n0.413826 0.075542 0.827894 Mg\n0.482628 0.732567 0.465024 Mg\n0.249982 0.500027 0.000021 Mg\n0.086073 0.247700 0.172090 Mg\n0.586175 0.924458 0.172106 Mg\n0.517372 0.267433 0.534976 Mg\n0.017396 0.267555 0.534919 Mg\n0.982604 0.732445 0.465082 Mg\n0.913927 0.752300 0.827910 Mg\n0.750018 0.499973 -0.000020 Mg\n0.622335 0.354148 0.244715 Tl\n0.877595 0.109378 0.755210 Tl\n0.122405 0.890622 0.244790 Tl\n0.377665 0.645853 0.755285 Tl\n",
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{
"id": "jvasp-98568",
"created_at": "2022-09-04T14:35:51.768958Z",
"updated_at": "2022-09-04T14:35:51.768988Z",
"structure_string": "Rb4 Ag2 Au6 I16\n1.0\n7.589619 -0.000000 0.000000\n-3.794810 6.512498 -1.338593\n0.000000 -0.198778 20.985864\nRb Ag Au I\n4 2 6 16\ndirect\n0.734929 0.414380 0.593352 Rb\n0.679451 0.414380 0.093352 Rb\n0.265071 0.585620 0.406648 Rb\n0.320549 0.585620 0.906648 Rb\n0.974411 -0.000000 0.250000 Ag\n0.025589 -0.000000 0.750000 Ag\n-0.000000 -0.000000 0.500000 Au\n0.593973 0.194110 0.302001 Au\n0.406028 0.805890 0.697998 Au\n0.399863 0.805890 0.197999 Au\n0.600137 0.194110 0.802001 Au\n0.000000 0.000000 0.000000 Au\n0.582783 0.644470 0.251598 I\n0.333321 0.098605 0.934987 I\n0.195578 0.942928 0.143089 I\n0.765284 0.098605 0.434987 I\n0.230918 0.395080 0.565824 I\n0.666679 0.901395 0.065013 I\n0.835839 0.604920 0.934176 I\n0.769082 0.604920 0.434176 I\n0.747350 0.942928 0.643089 I\n0.164161 0.395080 0.065824 I\n0.252650 0.057072 0.356911 I\n0.417217 0.355530 0.748402 I\n0.061687 0.644469 0.751598 I\n0.938313 0.355530 0.248402 I\n0.234716 0.901395 0.565012 I\n0.804422 0.057072 0.856911 I\n",
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{
"id": "jvasp-98567",
"created_at": "2022-09-04T14:37:52.293981Z",
"updated_at": "2022-09-04T14:37:52.294000Z",
"structure_string": "Ni2 H40 C16 N20\n1.0\n6.251049 0.000000 -0.847623\n0.000000 8.962333 0.000000\n-0.133913 0.000000 11.040738\nNi H C N\n2 40 16 20\ndirect\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.816555 0.913867 0.449649 H\n0.841678 0.698384 0.709691 H\n0.931546 0.412483 0.312517 H\n0.195527 0.660600 0.535672 H\n0.128415 0.013262 0.731493 H\n0.068455 0.912483 0.187483 H\n0.158322 0.301616 0.290310 H\n0.849678 0.783309 0.962335 H\n0.150323 0.283309 0.537665 H\n0.971181 0.159969 0.443511 H\n0.028820 0.659969 0.056489 H\n0.971181 0.340031 0.943511 H\n0.183446 0.086133 0.550351 H\n0.816555 0.586132 0.949649 H\n0.931546 0.087516 0.812518 H\n0.486555 0.815872 0.579811 H\n0.612583 0.081379 0.802789 H\n0.195527 0.839399 0.035671 H\n0.841678 0.801616 0.209691 H\n0.513446 0.315872 0.920189 H\n0.871585 0.513262 0.768508 H\n0.349471 0.467389 0.874420 H\n0.349471 0.032611 0.374420 H\n0.612583 0.418621 0.302789 H\n0.068455 0.587516 0.687483 H\n0.804474 0.160601 0.964329 H\n0.650529 0.532611 0.125580 H\n0.158323 0.198384 0.790310 H\n0.183446 0.413867 0.050351 H\n0.513446 0.184128 0.420189 H\n0.804473 0.339399 0.464329 H\n0.387418 0.581379 0.697211 H\n0.128415 0.486738 0.231493 H\n0.387418 0.918621 0.197211 H\n0.871585 0.986737 0.268508 H\n0.486554 0.684128 0.079811 H\n0.028820 0.840031 0.556489 H\n0.650530 0.967389 0.625580 H\n0.150323 0.216690 0.037665 H\n0.849678 0.716690 0.462335 H\n0.041840 0.385299 0.248481 C\n0.935940 0.824504 0.465152 C\n0.935940 0.675495 0.965152 C\n0.235843 0.771680 0.869934 C\n0.235842 0.728319 0.369934 C\n0.531343 0.109524 0.245884 C\n0.064061 0.324504 0.034848 C\n0.764158 0.271680 0.630066 C\n0.958161 0.885299 0.251520 C\n0.468658 0.609524 0.254116 C\n0.531343 0.390476 0.745884 C\n0.041840 0.114701 0.748481 C\n0.958161 0.614701 0.751520 C\n0.468658 0.890475 0.754116 C\n0.064061 0.175495 0.534849 C\n0.764158 0.228320 0.130066 C\n0.926049 0.165659 0.630717 N\n0.329651 0.778226 0.767701 N\n0.455333 0.489300 0.661752 N\n0.073951 0.834340 0.369284 N\n0.670350 0.221773 0.232299 N\n0.329650 0.721773 0.267701 N\n0.709569 0.354562 0.530293 N\n0.709569 0.145438 0.030293 N\n0.455333 0.010699 0.161751 N\n0.520951 0.595660 0.137399 N\n0.073952 0.665659 0.869284 N\n0.290431 0.645437 0.469708 N\n0.290432 0.854562 0.969708 N\n0.544668 0.989300 0.838249 N\n0.479049 0.404340 0.862602 N\n0.670350 0.278226 0.732300 N\n0.544667 0.510699 0.338249 N\n0.520952 0.904340 0.637399 N\n0.479049 0.095660 0.362601 N\n0.926049 0.334341 0.130717 N\n",
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"density_atomic": 0.12630989413251809,
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"formula_full": "Ni2 H40 C16 N20",
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{
"id": "jvasp-98566",
"created_at": "2022-09-04T14:37:41.385096Z",
"updated_at": "2022-09-04T14:37:41.385129Z",
"structure_string": "Hg24 Bi4 Sb16 Br28\n1.0\n13.267156 0.000000 0.000000\n-0.000000 13.267156 -0.000000\n-0.000000 -0.000000 13.267156\nHg Bi Sb Br\n24 4 16 28\ndirect\n0.182630 0.299895 0.445272 Hg\n0.200105 0.945272 0.182630 Hg\n0.700105 0.945272 0.317370 Hg\n0.317370 0.799895 0.445272 Hg\n0.554728 0.682630 0.200105 Hg\n0.445272 0.317370 0.799895 Hg\n0.054728 0.817370 0.799895 Hg\n0.299895 0.054728 0.682630 Hg\n0.182630 0.200105 0.945272 Hg\n0.799895 0.445272 0.317370 Hg\n0.682630 0.299895 0.054728 Hg\n0.817370 0.799895 0.054728 Hg\n0.700105 0.554728 0.817370 Hg\n0.682630 0.200105 0.554728 Hg\n0.054728 0.682630 0.299895 Hg\n0.817370 0.700105 0.554728 Hg\n0.299895 0.445272 0.182630 Hg\n0.945272 0.182630 0.200105 Hg\n0.554728 0.817370 0.700105 Hg\n0.445272 0.182630 0.299895 Hg\n0.799895 0.054728 0.817370 Hg\n0.200105 0.554728 0.682630 Hg\n0.317370 0.700105 0.945272 Hg\n0.945272 0.317370 0.700105 Hg\n0.500000 0.000000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.000000 0.500000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.740161 0.759839 0.240161 Sb\n0.259839 0.259839 0.259839 Sb\n0.759839 0.259839 0.240161 Sb\n0.133969 0.133969 0.133969 Sb\n0.866032 0.866032 0.866032 Sb\n0.759839 0.240161 0.740161 Sb\n0.240161 0.740161 0.759839 Sb\n0.366032 0.633969 0.133969 Sb\n0.633969 0.133969 0.366032 Sb\n0.366032 0.866032 0.633969 Sb\n0.633969 0.366032 0.866032 Sb\n0.133969 0.366032 0.633969 Sb\n0.740161 0.740161 0.740161 Sb\n0.240161 0.759839 0.259839 Sb\n0.866032 0.633969 0.366032 Sb\n0.259839 0.240161 0.759839 Sb\n0.044555 0.055739 0.707534 Br\n0.292467 0.544555 0.444261 Br\n0.207534 0.044555 0.444261 Br\n0.207534 0.455445 0.944262 Br\n0.944262 0.292467 0.955445 Br\n0.955445 0.555739 0.792467 Br\n0.044555 0.444261 0.207534 Br\n0.555739 0.707534 0.455445 Br\n0.055739 0.792467 0.544555 Br\n0.792467 0.955445 0.555739 Br\n0.555739 0.792467 0.955445 Br\n0.792467 0.544555 0.055739 Br\n0.000000 0.500000 0.500000 Br\n0.055739 0.707534 0.044555 Br\n0.500000 0.000000 0.500000 Br\n0.944262 0.207534 0.455445 Br\n0.955445 0.944262 0.292467 Br\n0.292467 0.955445 0.944262 Br\n0.707534 0.044555 0.055739 Br\n0.455445 0.944262 0.207534 Br\n0.000000 0.000000 0.000000 Br\n0.544555 0.444261 0.292467 Br\n0.444261 0.207534 0.044555 Br\n0.544555 0.055739 0.792467 Br\n0.455445 0.555739 0.707534 Br\n0.707534 0.455445 0.555739 Br\n0.444261 0.292467 0.544555 Br\n0.500000 0.500000 0.000000 Br\n",
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{
"id": "jvasp-98564",
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"structure_string": "Rb4 Yb4 I12\n1.0\n4.606649 -0.000000 0.000000\n0.000000 10.352758 0.000000\n0.000000 0.000000 17.044280\nYb Rb I\n4 4 12\ndirect\n0.750000 0.834212 0.056118 Yb\n0.750000 0.334212 0.443882 Yb\n0.250000 0.665788 0.556119 Yb\n0.250000 0.165788 0.943882 Yb\n0.750000 0.070708 0.675909 Rb\n0.250000 0.929293 0.324091 Rb\n0.250000 0.429292 0.175909 Rb\n0.750000 0.570708 0.824091 Rb\n0.750000 0.975915 0.892886 I\n0.750000 0.475915 0.607114 I\n0.750000 0.336614 0.010052 I\n0.250000 0.024085 0.107114 I\n0.750000 0.836614 0.489948 I\n0.750000 0.705832 0.216099 I\n0.250000 0.163386 0.510052 I\n0.750000 0.205832 0.283901 I\n0.250000 0.663386 0.989948 I\n0.250000 0.524085 0.392886 I\n0.250000 0.794169 0.716099 I\n0.250000 0.294169 0.783901 I\n",
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{
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"structure_string": "La10 C4 I18\n1.0\n7.972980 0.002373 1.302701\n0.582531 9.953713 1.889296\n0.017404 0.019380 14.452904\nLa C I\n10 4 18\ndirect\n0.776060 0.364954 0.262527 La\n0.158451 0.533549 0.302951 La\n0.239311 0.340076 0.079167 La\n0.949947 0.032611 0.174384 La\n0.821522 0.855656 0.638262 La\n0.223939 0.635045 0.737473 La\n0.760688 0.659924 0.920833 La\n0.178477 0.144343 0.361738 La\n0.841549 0.466450 0.697049 La\n0.050052 0.967389 0.825616 La\n0.041651 0.223409 0.216951 C\n0.907002 0.654092 0.758082 C\n0.958348 0.776590 0.783049 C\n0.092998 0.345907 0.241918 C\n0.095249 0.651650 0.524598 I\n0.883356 0.338998 0.996596 I\n0.116643 0.661002 0.003404 I\n0.494708 0.557336 0.134117 I\n0.254774 0.056199 0.997128 I\n0.425309 0.350375 0.427225 I\n0.801763 0.687620 0.274309 I\n0.198236 0.312380 0.725691 I\n0.794428 0.007435 0.411992 I\n0.205571 0.992565 0.588008 I\n0.505291 0.442663 0.865883 I\n0.574691 0.649625 0.572775 I\n0.461348 0.845306 0.801513 I\n0.904750 0.348349 0.475402 I\n0.538651 0.154693 0.198487 I\n0.258189 0.859779 0.272858 I\n0.745226 0.943801 0.002872 I\n0.741810 0.140220 0.727142 I\n",
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{
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