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{
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"structure_string": "Ba1 Na1 Ti1 Nb1 O6\n1.0\n4.908953 -0.000000 2.834186\n1.636318 4.628206 2.834186\n-0.000000 -0.000000 5.668371\nBa Na Ti Nb O\n1 1 1 1 6\ndirect\n0.500000 0.500000 0.500001 Ba\n0.000000 0.000000 0.000000 Na\n0.750000 0.750001 0.750001 Ti\n0.250000 0.250000 0.250000 Nb\n0.997674 0.502326 0.502327 O\n0.502325 0.997675 0.997675 O\n0.997674 0.502326 0.997675 O\n0.502325 0.997675 0.502326 O\n0.502325 0.502326 0.997675 O\n0.997674 0.997675 0.502327 O\n",
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{
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"structure_string": "Sr3 Sc2 Cu2 S2 O5\n1.0\n4.044359 0.000000 -0.626703\n-0.097113 4.043193 -0.626703\n-0.010843 -0.011106 13.293283\nSr Sc Cu S O\n3 2 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.644709 0.644707 0.289416 Sr\n0.355293 0.355291 0.710584 Sr\n0.923419 0.923417 0.846836 Sc\n0.076582 0.076582 0.153164 Sc\n0.250001 0.749999 0.500000 Cu\n0.750001 0.249999 0.500000 Cu\n0.802030 0.802028 0.604058 S\n0.197971 0.197970 0.395942 S\n0.000000 0.000000 0.000000 O\n0.413487 0.913484 0.826973 O\n0.913487 0.413485 0.826973 O\n0.086515 0.586514 0.173028 O\n0.586515 0.086514 0.173028 O\n",
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{
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"structure_string": "K4 Na4 Li8 S8 O32\n1.0\n4.932380 0.000000 0.000000\n0.000000 7.736613 0.000000\n0.000000 0.000000 18.826173\nK Na Li S O\n4 4 8 8 32\ndirect\n0.003170 0.052133 0.071818 K\n-0.003170 0.552133 0.428182 K\n0.496830 0.947867 0.571818 K\n0.503170 0.447867 0.928182 K\n0.516781 0.249012 0.725718 Na\n0.483219 0.749012 0.774282 Na\n0.983219 0.750987 0.225718 Na\n0.016781 0.250988 0.274282 Na\n0.010728 0.749363 0.908528 Li\n0.489272 0.250636 0.408528 Li\n0.961812 0.606142 0.637929 Li\n0.538188 0.393858 0.137929 Li\n0.038188 0.106142 0.862070 Li\n0.461812 0.893858 0.362070 Li\n0.989272 0.249363 0.591472 Li\n0.510728 0.750636 0.091472 Li\n0.512908 0.953430 0.942485 S\n0.012908 0.546569 0.057515 S\n0.032343 0.969354 0.708707 S\n0.532343 0.530645 0.291293 S\n0.967657 0.469354 0.791293 S\n0.487092 0.453431 0.557515 S\n0.987092 0.046569 0.442485 S\n0.467657 0.030646 0.208707 S\n0.850704 0.472654 0.718495 O\n0.230530 0.531128 0.289235 O\n0.690295 0.033583 0.425458 O\n0.149296 0.972654 0.781505 O\n0.649296 0.527345 0.218495 O\n0.730530 0.968872 0.710765 O\n0.350704 0.027346 0.281505 O\n0.769470 0.031128 0.210765 O\n0.269470 0.468872 0.789235 O\n0.634190 0.688813 0.328357 O\n0.809705 0.966417 0.925458 O\n0.309705 0.533583 0.074542 O\n0.516246 0.430908 0.479422 O\n0.016246 0.069092 0.520577 O\n0.483754 0.930908 0.020577 O\n0.983754 0.569092 0.979422 O\n0.629028 0.613983 0.579496 O\n0.129028 0.886016 0.420504 O\n0.370972 0.113983 0.920504 O\n0.190295 0.466417 0.574542 O\n0.870972 0.386017 0.079496 O\n0.102485 0.198921 0.404684 O\n0.397515 0.801079 0.904684 O\n0.897515 0.698921 0.095315 O\n0.630615 0.374584 0.330100 O\n0.130615 0.125415 0.669900 O\n0.369385 0.874584 0.169900 O\n0.865810 0.311187 0.828357 O\n0.365810 0.188813 0.171643 O\n0.134190 0.811187 0.671642 O\n0.602485 0.301079 0.595315 O\n0.869385 0.625415 0.830100 O\n",
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{
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"structure_string": "K2 Na1 Mo1 O3 F3\n1.0\n5.200870 0.004903 3.014023\n1.853095 4.845686 2.873257\n0.012994 -0.018788 5.887280\nK Na Mo O F\n2 1 1 3 3\ndirect\n0.760609 0.760610 0.739391 K\n0.260609 0.260610 0.239390 K\n0.503250 0.503251 0.496750 Na\n0.021288 0.021289 0.978711 Mo\n0.196141 0.763245 0.803859 O\n0.225936 0.225937 0.774064 O\n0.763244 0.196142 0.236756 O\n0.240170 0.766007 0.233994 F\n0.762737 0.762738 0.237262 F\n0.766006 0.240171 0.759829 F\n",
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{
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"updated_at": "2022-09-04T14:36:12.370954Z",
"structure_string": "K4 Al4 H24 O8 F24\n1.0\n8.653770 -0.000000 0.000000\n-0.000000 8.653770 -0.000000\n-0.000000 -0.000000 8.653770\nK Al H O F\n4 4 24 8 24\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.300777 0.297523 0.638052 H\n0.199223 0.702477 0.138052 H\n0.861948 0.699223 0.797523 H\n0.361948 0.800777 0.202477 H\n0.202477 0.361948 0.800777 H\n0.138052 0.199223 0.702477 H\n0.797523 0.861948 0.699223 H\n0.800777 0.202477 0.361948 H\n0.297523 0.638052 0.300777 H\n0.638052 0.300777 0.297523 H\n0.699223 0.797523 0.861948 H\n0.702477 0.138052 0.199223 H\n0.702477 0.361948 0.699223 H\n0.797523 0.638052 0.199223 H\n0.202477 0.138052 0.300777 H\n0.861948 0.800777 0.297523 H\n0.361948 0.699223 0.702477 H\n0.638052 0.199223 0.797523 H\n0.138052 0.300777 0.202477 H\n0.800777 0.297523 0.861948 H\n0.699223 0.702477 0.361948 H\n0.199223 0.797523 0.638052 H\n0.300777 0.202477 0.138052 H\n0.297523 0.861948 0.800777 H\n0.303514 0.696486 0.196486 O\n0.196486 0.303514 0.696486 O\n0.696486 0.196486 0.303514 O\n0.803514 0.803514 0.803514 O\n0.696486 0.303514 0.803514 O\n0.803514 0.696486 0.303514 O\n0.303514 0.803514 0.696486 O\n0.196486 0.196486 0.196486 O\n0.802134 0.951927 0.559183 F\n0.197866 0.451927 0.940817 F\n0.048073 0.059183 0.697866 F\n0.548073 0.440817 0.302134 F\n0.451927 0.940817 0.197866 F\n0.951927 0.559183 0.802134 F\n0.059183 0.697866 0.048073 F\n0.440817 0.302134 0.548073 F\n0.940817 0.197866 0.451927 F\n0.559183 0.802134 0.951927 F\n0.302134 0.951927 0.940817 F\n0.059183 0.802134 0.548073 F\n0.802134 0.548073 0.059183 F\n0.197866 0.048073 0.440817 F\n0.951927 0.940817 0.302134 F\n0.451927 0.559183 0.697866 F\n0.548073 0.059183 0.802134 F\n0.048073 0.440817 0.197866 F\n0.940817 0.302134 0.951927 F\n0.559183 0.697866 0.451927 F\n0.440817 0.197866 0.048073 F\n0.302134 0.548073 0.440817 F\n0.697866 0.451927 0.559183 F\n0.697866 0.048073 0.059183 F\n",
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{
"id": "jvasp-97012",
"created_at": "2022-09-04T14:36:20.256333Z",
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"structure_string": "K2 Sc2 As4 H4 O16\n1.0\n3.927921 5.349936 -1.401855\n-3.927921 5.349936 1.401855\n-0.018249 0.000000 9.248341\nK Sc As H O\n2 2 4 4 16\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 -0.000000 K\n0.861017 0.861017 0.750000 Sc\n0.138984 0.138984 0.250000 Sc\n0.872104 0.321440 0.860102 As\n0.321440 0.872105 0.639898 As\n0.127896 0.678560 0.139898 As\n0.678560 0.127896 0.360102 As\n0.665322 0.308420 0.544713 H\n0.308420 0.665322 0.955286 H\n0.334679 0.691581 0.455286 H\n0.691581 0.334679 0.044714 H\n0.382300 0.645638 0.571716 O\n0.645638 0.382300 0.928283 O\n0.818663 0.912889 0.511169 O\n0.912888 0.818663 0.988831 O\n0.181338 0.087112 0.488831 O\n0.087112 0.181338 0.011169 O\n0.810175 0.182337 0.225139 O\n0.543263 0.915222 0.733574 O\n0.189826 0.817664 0.774861 O\n0.817664 0.189826 0.725139 O\n0.456737 0.084779 0.266426 O\n0.084779 0.456737 0.233574 O\n0.354362 0.617701 0.071716 O\n0.915222 0.543263 0.766426 O\n0.182337 0.810175 0.274861 O\n0.617701 0.354362 0.428284 O\n",
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{
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"structure_string": "Li2 U2 P2 H16 O20\n1.0\n6.902416 -0.000000 0.000000\n0.000000 6.902416 0.000000\n0.000000 -0.000000 9.031691\nLi U P H O\n2 2 2 16 20\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.250000 0.250000 0.104302 U\n0.750000 0.750000 0.895698 U\n0.750000 0.250000 0.000000 P\n0.250000 0.750000 0.000000 P\n0.584106 0.895692 0.385392 H\n0.424842 0.835312 0.270933 H\n0.835312 0.075158 0.270933 H\n0.075158 0.664689 0.270933 H\n0.084105 0.395692 0.614608 H\n0.604309 0.584106 0.385392 H\n0.164688 0.924842 0.729066 H\n0.104308 0.084105 0.614608 H\n0.575159 0.164688 0.729066 H\n0.924842 0.335312 0.729066 H\n0.895692 0.915895 0.385392 H\n0.664689 0.424842 0.270933 H\n0.395692 0.415895 0.614608 H\n0.915895 0.604309 0.385392 H\n0.335312 0.575159 0.729066 H\n0.415895 0.104308 0.614608 H\n0.750000 0.750000 0.693916 O\n0.250000 0.250000 0.306084 O\n0.471104 0.806931 0.372538 O\n0.078835 0.805048 0.897447 O\n0.028897 0.693070 0.372538 O\n0.578835 0.305048 0.102552 O\n0.806931 0.028897 0.372538 O\n0.693070 0.471104 0.372538 O\n0.971104 0.306931 0.627462 O\n0.421166 0.694952 0.897447 O\n0.750000 0.750000 0.097280 O\n0.528897 0.193069 0.627462 O\n0.193069 0.971104 0.627462 O\n0.305048 0.921166 0.102552 O\n0.921166 0.194952 0.102552 O\n0.250000 0.250000 0.902720 O\n0.194952 0.578835 0.102552 O\n0.694952 0.078835 0.897447 O\n0.306931 0.528897 0.627462 O\n0.805048 0.421166 0.897447 O\n",
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{
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"structure_string": "Li4 Al4 Si4 H8 O20\n1.0\n4.762480 0.000000 0.000000\n0.000000 8.995440 0.000000\n0.000000 0.000000 11.620890\nLi Al Si H O\n4 4 4 8 20\ndirect\n0.388466 0.585308 0.188267 Li\n0.388466 0.914692 0.688267 Li\n0.888466 0.085308 0.311733 Li\n0.888466 0.414692 0.811733 Li\n0.363488 0.043547 0.142297 Al\n0.863488 0.956453 0.857703 Al\n0.363488 0.456453 0.642297 Al\n0.863488 0.543547 0.357703 Al\n0.772732 0.879505 0.114177 Si\n0.272732 0.379505 0.385822 Si\n0.272732 0.120495 0.885822 Si\n0.772732 0.620495 0.614177 Si\n0.873581 0.646888 0.949919 H\n0.373581 0.353112 0.050081 H\n0.683633 0.510704 0.986986 H\n0.183633 0.010704 0.513014 H\n0.683633 0.989296 0.486986 H\n0.183633 0.489296 0.013014 H\n0.873581 0.853112 0.449919 H\n0.373581 0.146888 0.550081 H\n0.029121 0.526924 0.676023 O\n0.029121 0.973076 0.176023 O\n0.218909 0.221363 0.309226 O\n0.718909 0.721363 0.190774 O\n0.985725 0.866678 0.728884 O\n0.864863 0.535931 0.947734 O\n0.860381 0.837213 0.979977 O\n0.860381 0.662787 0.479977 O\n0.360381 0.337213 0.520023 O\n0.360381 0.162787 0.020023 O\n0.218909 0.278637 0.809226 O\n0.485725 0.133322 0.271116 O\n0.718909 0.778637 0.690774 O\n0.485725 0.366678 0.771116 O\n0.864863 0.964069 0.447734 O\n0.529121 0.473076 0.323977 O\n0.985725 0.633322 0.228884 O\n0.529121 0.026924 0.823977 O\n0.364863 0.035931 0.552266 O\n0.364863 0.464069 0.052266 O\n",
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{
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