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{
"id": "jvasp-95201",
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"structure_string": "Ba2 Nd4 Ti6 O20\n1.0\n3.887742 -0.000000 -0.533743\n0.000000 7.684162 0.000000\n-0.020746 0.000000 14.274762\nBa Nd Ti O\n2 4 6 20\ndirect\n0.256579 0.750000 0.513159 Ba\n0.743420 0.250000 0.486841 Ba\n0.427313 0.750000 0.854627 Nd\n0.419783 0.250000 0.839568 Nd\n0.580216 0.750000 0.160432 Nd\n0.572686 0.250000 0.145373 Nd\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.853883 0.994502 0.707768 Ti\n0.146115 0.005498 0.292232 Ti\n0.146115 0.494502 0.292232 Ti\n0.853883 0.505498 0.707768 Ti\n0.147296 0.750000 0.294592 O\n0.852702 0.250000 0.705408 O\n0.877594 0.750000 0.755191 O\n0.122405 0.250000 0.244809 O\n0.369130 0.507684 0.738261 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.933206 0.054123 0.866414 O\n0.066792 0.945877 0.133586 O\n0.066792 0.554123 0.133586 O\n0.933206 0.445877 0.866414 O\n0.792404 0.951496 0.584812 O\n0.207594 0.048504 0.415188 O\n0.207594 0.451496 0.415188 O\n0.792404 0.548503 0.584812 O\n0.369130 0.992316 0.738261 O\n0.630869 0.007684 0.261739 O\n0.630869 0.492316 0.261739 O\n0.017027 0.250000 0.034054 O\n0.982972 0.750000 0.965946 O\n",
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"structure_string": "Li3 Nb4 V1 O12\n1.0\n5.152476 0.002970 -0.006837\n-0.017511 5.619601 -0.025959\n-0.013319 -0.782419 7.566809\nLi Nb V O\n3 4 1 12\ndirect\n0.507674 0.937753 0.783398 Li\n0.996092 0.446572 0.782292 Li\n0.500491 0.936371 0.278332 Li\n0.010153 0.007231 0.998438 Nb\n0.493739 0.512396 0.491805 Nb\n0.996172 0.004556 0.504725 Nb\n0.507081 0.504003 0.986154 Nb\n0.998548 0.390303 0.303347 V\n0.697674 0.219577 0.909131 O\n0.830698 0.348641 0.548483 O\n0.175008 0.360472 0.061989 O\n0.649261 0.535199 0.235883 O\n0.363555 0.532877 0.737080 O\n0.139495 0.034177 0.741592 O\n0.174092 0.702803 0.405313 O\n0.324907 0.850368 0.049903 O\n0.854083 0.047084 0.240603 O\n0.306742 0.205337 0.406287 O\n0.805270 0.721306 0.917397 O\n0.669273 0.843771 0.547441 O\n",
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{
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"structure_string": "Li2 Ti2 N2 Cl2\n1.0\n0.000000 -3.362280 0.000000\n-4.114062 0.000000 0.000000\n0.000000 0.000000 -7.969106\nLi Ti N Cl\n2 2 2 2\ndirect\n0.000000 0.000000 0.336031 Li\n0.500000 0.500000 0.663970 Li\n0.000000 0.500000 0.054758 Ti\n0.500000 0.000000 0.945243 Ti\n0.000000 0.000000 0.083757 N\n0.500000 0.500000 0.916244 N\n0.500000 0.500000 0.346949 Cl\n0.000000 0.000000 0.653052 Cl\n",
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{
"id": "jvasp-48423",
"created_at": "2022-09-04T14:35:43.868775Z",
"updated_at": "2022-09-04T14:35:43.868802Z",
"structure_string": "Li3 Co5 O1 F11\n1.0\n-5.081110 0.048005 0.667814\n2.361236 4.799615 -1.701393\n1.291963 0.000293 -8.765507\nLi Co O F\n3 5 1 11\ndirect\n0.790237 0.625646 0.942695 Li\n0.290629 0.146686 0.418440 Li\n0.212766 0.360322 0.071063 Li\n0.483189 0.125073 0.840240 Co\n0.978435 0.643990 0.342819 Co\n0.011540 0.390535 0.659890 Co\n0.515352 0.866699 0.157389 Co\n0.748043 0.867234 0.575371 Co\n0.964760 0.718710 0.531947 O\n0.443361 0.879077 0.373236 F\n0.064022 0.636442 0.132640 F\n0.036500 0.274578 0.464516 F\n0.517806 0.758619 0.960326 F\n0.024042 0.970152 0.786327 F\n0.930573 0.375541 0.877440 F\n0.561756 0.106108 0.625120 F\n0.527812 0.476344 0.279221 F\n0.460670 0.512303 0.713381 F\n0.471661 0.231034 0.034941 F\n0.966838 0.034882 0.213005 F\n",
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"structure_string": "Nd1 B2 Rh2 C1\n1.0\n3.646350 -0.000000 -1.284244\n-0.452310 3.618188 -1.284244\n0.004212 0.004771 5.830617\nNd B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.644999 0.644999 0.289999 B\n0.355001 0.355001 0.710003 B\n0.750000 0.250000 0.500001 Rh\n0.250000 0.750000 0.500001 Rh\n0.500000 0.500000 0.000001 C\n",
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{
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"created_at": "2022-09-04T14:35:42.233422Z",
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"structure_string": "K2 Na2 S4 O14\n1.0\n5.875074 -0.117401 -0.078094\n-0.684338 6.960259 -1.349020\n-0.008269 0.097222 7.319642\nK Na S O\n2 2 4 14\ndirect\n0.208086 0.781679 0.431374 K\n0.791912 0.218320 0.568626 K\n0.189683 0.652260 0.900889 Na\n0.810316 0.347740 0.099111 Na\n0.694350 0.716732 0.687171 S\n0.717286 0.830426 0.097441 S\n0.282713 0.169574 0.902559 S\n0.305648 0.283268 0.312829 S\n0.716602 0.840753 0.549872 O\n0.224338 0.977812 0.798076 O\n0.283397 0.159247 0.450128 O\n0.117957 0.400136 0.309951 O\n0.469038 0.611775 0.690615 O\n0.109457 0.299907 0.890822 O\n0.890542 0.700093 0.109178 O\n0.271899 0.121689 0.117485 O\n0.530961 0.388225 0.309386 O\n0.882042 0.599864 0.690050 O\n0.514020 0.256527 0.882920 O\n0.728100 0.878311 0.882515 O\n0.485979 0.743473 0.117080 O\n0.775661 0.022188 0.201924 O\n",
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{
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"structure_string": "Ga2 Ag2 Se2 S2\n1.0\n5.379793 0.020761 -4.232836\n-1.230530 5.114258 -4.380601\n0.043268 -0.020761 6.845232\nGa Ag Se S\n2 2 2 2\ndirect\n0.126631 0.376631 0.750000 Ga\n0.373369 0.123369 0.250000 Ga\n0.644623 0.894624 0.750000 Ag\n0.855376 0.605377 0.249999 Ag\n0.250000 0.018786 0.768786 Se\n0.750000 0.481214 0.731213 Se\n0.456041 0.750000 0.206041 S\n0.043959 0.250000 0.293959 S\n",
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{
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"created_at": "2022-09-04T14:35:47.541495Z",
"updated_at": "2022-09-04T14:35:47.541526Z",
"structure_string": "Sr12 Ta4 As12 O4\n1.0\n6.417250 0.000000 0.000000\n-0.000000 10.732969 0.000000\n0.000000 0.000000 12.978789\nSr Ta As O\n12 4 12 4\ndirect\n0.730917 0.750000 0.628145 Sr\n0.769083 0.250000 0.128145 Sr\n0.269083 0.250000 0.371855 Sr\n0.230917 0.750000 0.871855 Sr\n0.753149 0.956642 0.371690 Sr\n0.746851 0.043358 0.871690 Sr\n0.246851 0.456642 0.628310 Sr\n0.253149 0.543358 0.128310 Sr\n0.246851 0.043358 0.628310 Sr\n0.253149 0.956642 0.128310 Sr\n0.753149 0.543358 0.371690 Sr\n0.746851 0.456642 0.871690 Sr\n0.841154 0.250000 0.549137 Ta\n0.658846 0.750000 0.049137 Ta\n0.158846 0.750000 0.450863 Ta\n0.341154 0.250000 0.950863 Ta\n0.236942 0.452586 0.876115 As\n0.263058 0.547414 0.376115 As\n0.763058 0.952586 0.123885 As\n0.736942 0.047414 0.623885 As\n0.763058 0.547414 0.123885 As\n0.736942 0.452586 0.623885 As\n0.263058 0.952586 0.376115 As\n0.735719 0.750000 0.863660 As\n0.764281 0.250000 0.363660 As\n0.264281 0.250000 0.136340 As\n0.235719 0.750000 0.636340 As\n0.236942 0.047414 0.876115 As\n0.136783 0.250000 0.555110 O\n0.863217 0.750000 0.444890 O\n0.636783 0.250000 0.944890 O\n0.363217 0.750000 0.055110 O\n",
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{
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"structure_string": "Li5 V1 Cr3 O8\n1.0\n-2.838446 -1.677988 -4.855197\n-2.838446 -5.136976 -0.007533\n-5.869003 -0.010557 -0.007533\nLi V Cr O\n5 1 3 8\ndirect\n0.931606 0.931609 0.931607 Li\n0.000001 0.000001 0.500000 Li\n0.068393 0.068393 0.068393 Li\n0.500000 0.000001 0.000001 Li\n0.000001 0.500000 0.000001 Li\n0.500000 0.500001 0.500000 V\n-0.000001 0.500001 0.500000 Cr\n0.500000 0.500001 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.253021 0.734092 0.253022 O\n0.743245 0.743247 0.743246 O\n0.746978 0.265910 0.746978 O\n0.265908 0.746980 0.746978 O\n0.746978 0.746979 0.265909 O\n0.253021 0.253022 0.734091 O\n0.734091 0.253022 0.253022 O\n0.256754 0.256755 0.256754 O\n",
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"structure_string": "Na2 Si4 Cu5 O14\n1.0\n5.788945 0.004839 0.146128\n2.504915 6.516317 3.301045\n-0.004292 -0.036785 7.971395\nNa Si Cu O\n2 4 5 14\ndirect\n0.232375 0.633772 0.056823 Na\n0.767624 0.366228 0.943178 Na\n0.305187 0.284639 0.905942 Si\n0.581985 0.103345 0.318422 Si\n0.418013 0.896655 0.681579 Si\n0.180274 0.932070 0.223276 Si\n0.010184 0.736542 0.632831 Cu\n0.989814 0.263458 0.367169 Cu\n0.819725 0.067930 0.776724 Cu\n0.694812 0.715361 0.094058 Cu\n0.499999 0.500000 0.500000 Cu\n0.806596 0.897289 0.033756 O\n0.511385 0.293981 0.755254 O\n0.488614 0.706019 0.244746 O\n0.811931 0.282547 0.527772 O\n0.715443 0.853063 0.547944 O\n0.939834 0.499130 0.208276 O\n0.060165 0.500870 0.791725 O\n0.284556 0.146937 0.452056 O\n0.909074 0.139983 0.265334 O\n0.090925 0.860017 0.734666 O\n0.188067 0.717453 0.472228 O\n0.193403 0.102711 0.966244 O\n0.418448 0.306402 0.078435 O\n0.581550 0.693598 0.921565 O\n",
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{
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"structure_string": "Li2 Mn1 Sn1 O4\n1.0\n5.505548 -0.092383 -0.000000\n2.326434 4.990722 -0.000000\n-3.915990 -2.449169 2.997696\nLi Mn Sn O\n2 1 1 4\ndirect\n0.250000 0.750000 0.500001 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250001 0.500001 Sn\n0.521430 0.021431 0.500001 O\n0.245257 0.245257 0.000000 O\n0.978570 0.478571 0.500001 O\n0.754743 0.754743 0.000000 O\n",
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]
}