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{
"id": "jvasp-5236",
"created_at": "2022-09-04T14:37:06.565875Z",
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"structure_string": "P4 Cl12\n1.0\n6.076355 0.000000 0.000000\n0.000000 7.786267 0.000000\n0.000000 0.000000 9.379632\nP Cl\n4 12\ndirect\n0.924045 0.988268 0.750000 P\n0.424046 0.511733 0.250000 P\n0.575953 0.488268 0.750000 P\n0.075954 0.011733 0.250000 P\n0.732334 0.904396 0.919886 Cl\n0.232334 0.595605 0.080114 Cl\n0.767665 0.404396 0.580113 Cl\n0.267666 0.095605 0.419886 Cl\n0.833826 0.200532 0.250000 Cl\n0.333826 0.299468 0.750000 Cl\n0.666173 0.700533 0.250000 Cl\n0.166174 0.799468 0.750000 Cl\n0.732334 0.904396 0.580113 Cl\n0.232334 0.595605 0.419886 Cl\n0.767665 0.404396 0.919886 Cl\n0.267666 0.095605 0.080114 Cl\n",
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{
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{
"id": "jvasp-11206",
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"updated_at": "2022-09-04T14:37:09.202994Z",
"structure_string": "Rb4 V2 Ag2 Se8\n1.0\n5.819176 -0.000000 1.458017\n2.909588 6.848725 0.729008\n0.020318 0.000000 12.260542\nRb V Ag Se\n4 2 2 8\ndirect\n0.942878 0.750001 0.114245 Rb\n0.307123 0.750001 0.385756 Rb\n0.692878 0.250000 0.614244 Rb\n0.057123 0.250000 0.885755 Rb\n0.875001 0.250000 0.250000 V\n0.125000 0.750001 0.750000 V\n0.375000 0.250000 0.250000 Ag\n0.625001 0.750001 0.750000 Ag\n0.074983 0.547772 0.633879 Se\n0.756635 0.952229 0.866121 Se\n0.622755 0.452229 0.133880 Se\n0.708863 0.047771 0.366121 Se\n0.377246 0.547772 0.866120 Se\n0.291138 0.952229 0.633880 Se\n0.243366 0.047771 0.133880 Se\n0.925018 0.452229 0.366121 Se\n",
"nsites": 16,
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{
"id": "jvasp-29556",
"created_at": "2022-09-04T14:37:12.299733Z",
"updated_at": "2022-09-04T14:37:12.299749Z",
"structure_string": "Ga8 Se8\n1.0\n3.806824 -0.000000 -0.000000\n-1.903412 3.296806 0.000000\n-0.000000 0.000000 32.237122\nGa Se\n8 8\ndirect\n0.333333 0.666668 0.212570 Ga\n0.000000 0.000000 0.539285 Ga\n0.666667 0.333333 0.712570 Ga\n0.000000 0.000000 0.039285 Ga\n0.333333 0.666668 0.288739 Ga\n0.666667 0.333333 0.788739 Ga\n0.000000 0.000000 0.963125 Ga\n0.000000 0.000000 0.463125 Ga\n0.000000 0.000000 0.676236 Se\n0.666667 0.333333 0.926763 Se\n0.666667 0.333333 0.075665 Se\n0.000000 0.000000 0.325117 Se\n0.000000 0.000000 0.176236 Se\n0.333333 0.666668 0.575665 Se\n0.000000 0.000000 0.825117 Se\n0.333333 0.666668 0.426763 Se\n",
"nsites": 16,
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{
"id": "jvasp-10881",
"created_at": "2022-09-04T14:37:09.911258Z",
"updated_at": "2022-09-04T14:37:09.911287Z",
"structure_string": "Rb4 Ta2 Cu2 Se8\n1.0\n5.639745 0.000000 1.322719\n2.819872 6.930288 0.661360\n0.023398 -0.000000 12.584830\nRb Ta Cu Se\n4 2 2 8\ndirect\n0.804393 0.750000 0.391215 Rb\n0.445607 0.750000 0.108785 Rb\n0.195608 0.250000 0.608785 Rb\n0.554393 0.250000 0.891215 Rb\n0.625000 0.750000 0.750000 Ta\n0.375000 0.250000 0.250000 Ta\n0.125000 0.750000 0.750000 Cu\n0.875001 0.250000 0.250000 Cu\n0.822955 0.952394 0.636284 Se\n0.911632 0.547606 0.863716 Se\n0.224652 0.952394 0.863716 Se\n0.540763 0.547606 0.636284 Se\n0.459237 0.452394 0.363716 Se\n0.775349 0.047606 0.136284 Se\n0.088369 0.452394 0.136284 Se\n0.177046 0.047606 0.363716 Se\n",
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{
"id": "jvasp-10357",
"created_at": "2022-09-04T14:37:09.269525Z",
"updated_at": "2022-09-04T14:37:09.269544Z",
"structure_string": "Ca2 Mo4 O10\n1.0\n3.913150 -0.000000 -0.000000\n-1.956575 5.628314 0.000000\n-0.000000 0.000000 11.481405\nCa Mo O\n2 4 10\ndirect\n0.883266 0.766528 0.750000 Ca\n0.116736 0.233472 0.250000 Ca\n0.190029 0.380058 0.596804 Mo\n0.809973 0.619942 0.403195 Mo\n0.809973 0.619942 0.096805 Mo\n0.190029 0.380058 0.903196 Mo\n0.711473 0.422945 0.250000 O\n0.288528 0.577055 0.750000 O\n0.247630 0.495257 0.071897 O\n0.752373 0.504743 0.928103 O\n0.752373 0.504743 0.571897 O\n0.247630 0.495257 0.428102 O\n0.038079 0.076156 0.619111 O\n0.961922 0.923842 0.380888 O\n0.038079 0.076156 0.880888 O\n0.961922 0.923842 0.119112 O\n",
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{
"id": "jvasp-51014",
"created_at": "2022-09-04T14:37:13.186958Z",
"updated_at": "2022-09-04T14:37:13.186977Z",
"structure_string": "Cr4 H4 O8\n1.0\n2.999833 -0.000000 0.000000\n-0.000000 4.460683 0.000000\n0.000000 0.000000 9.852055\nCr H O\n4 4 8\ndirect\n0.250000 0.543954 0.639831 Cr\n0.250000 0.956045 0.139831 Cr\n0.749999 0.456046 0.360169 Cr\n0.749999 0.043954 0.860169 Cr\n0.250000 0.920423 0.405663 H\n0.250000 0.579576 0.905663 H\n0.749999 0.079576 0.594336 H\n0.749999 0.420423 0.094337 H\n0.250000 0.196641 0.306225 O\n0.250000 0.303359 0.806225 O\n0.749999 0.803358 0.693774 O\n0.749999 0.696641 0.193775 O\n0.250000 0.706107 0.443620 O\n0.250000 0.793892 0.943620 O\n0.749999 0.293892 0.556379 O\n0.749999 0.206107 0.056380 O\n",
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{
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"created_at": "2022-09-04T14:37:06.793984Z",
"updated_at": "2022-09-04T14:37:06.793995Z",
"structure_string": "Na4 Ga4 O8\n1.0\n5.341946 0.000000 0.000000\n0.000000 5.569543 0.000000\n0.000000 0.000000 7.235977\nNa Ga O\n4 4 8\ndirect\n0.014141 0.068026 0.622465 Na\n0.514142 0.431974 0.122464 Na\n0.514142 0.931974 0.377536 Na\n0.014141 0.568025 0.877536 Na\n-0.000055 0.064209 0.126065 Ga\n0.499946 0.935791 0.873935 Ga\n0.499946 0.435791 0.626065 Ga\n-0.000055 0.564208 0.373935 Ga\n0.153033 0.458901 0.590456 O\n0.653033 0.541099 0.409545 O\n0.653033 0.041099 0.090456 O\n0.153033 0.958901 0.909545 O\n0.082382 0.888877 0.338490 O\n0.082382 0.388877 0.161510 O\n0.582382 0.611122 0.838491 O\n0.582382 0.111123 0.661510 O\n",
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{
"id": "jvasp-50649",
"created_at": "2022-09-04T14:37:06.770271Z",
"updated_at": "2022-09-04T14:37:06.770292Z",
"structure_string": "Li4 Cu2 P2 O8\n1.0\n3.637737 3.818734 0.008012\n-3.637737 3.818734 -0.008012\n0.044606 0.000000 6.176060\nLi Cu P O\n4 2 2 8\ndirect\n0.314723 0.685276 0.750843 Li\n0.178129 0.178128 0.500000 Li\n0.821871 0.821870 0.500000 Li\n0.685276 0.314723 0.249157 Li\n0.183493 0.183493 -0.000000 Cu\n0.816506 0.816506 -0.000000 Cu\n0.327241 0.672758 0.261435 P\n0.672758 0.327241 0.738565 P\n0.217104 0.782895 0.045991 O\n0.196743 0.803256 0.461272 O\n0.619214 0.705747 0.267135 O\n0.294252 0.380785 0.267135 O\n0.380785 0.294252 0.732865 O\n0.705747 0.619214 0.732865 O\n0.803257 0.196742 0.538728 O\n0.782895 0.217104 0.954009 O\n",
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{
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"created_at": "2022-09-04T14:37:07.156597Z",
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"structure_string": "Li2 Yb4 Cl10\n1.0\n5.852613 0.000000 -2.489120\n-0.268065 6.982001 -0.630294\n0.007192 -0.029656 8.142033\nYb Li Cl\n4 2 10\ndirect\n0.878868 0.571205 0.207280 Yb\n0.328410 0.071205 0.207280 Yb\n0.121132 0.428794 0.792720 Yb\n0.671590 0.928794 0.792720 Yb\n-0.000000 -0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.471573 0.425416 0.181247 Cl\n0.929932 0.250000 0.000000 Cl\n0.070068 0.750000 0.000001 Cl\n0.144203 0.315083 0.438071 Cl\n0.855797 0.684916 0.561929 Cl\n0.293868 0.815083 0.438071 Cl\n0.706131 0.184916 0.561929 Cl\n0.528426 0.574583 0.818753 Cl\n0.709673 0.925416 0.181247 Cl\n0.290326 0.074583 0.818753 Cl\n",
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{
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"structure_string": "Li8 As8\n1.0\n0.000000 5.804052 0.011798\n5.229165 0.000000 0.000000\n0.000000 -5.053888 -9.555579\nLi As\n8 8\ndirect\n0.227241 0.169011 0.556103 Li\n0.772758 0.669011 0.943897 Li\n0.772758 0.830990 0.443897 Li\n0.227242 0.330990 0.056103 Li\n0.238622 0.919960 0.833362 Li\n0.761377 0.419959 0.666638 Li\n0.761377 0.080041 0.166638 Li\n0.238622 0.580042 0.333362 Li\n0.285305 0.668587 0.598228 As\n0.714694 0.168586 0.901772 As\n0.714694 0.331414 0.401772 As\n0.285305 0.831415 0.098228 As\n0.298581 0.429189 0.802302 As\n0.701418 0.929190 0.697698 As\n0.701418 0.570812 0.197698 As\n0.298581 0.070811 0.302302 As\n",
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{
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"created_at": "2022-09-04T14:37:09.748263Z",
"updated_at": "2022-09-04T14:37:09.748273Z",
"structure_string": "Sr6 B2 P2 O6\n1.0\n2.643352 -4.578419 -0.000000\n2.643352 4.578419 0.000000\n-0.000000 0.000000 12.670607\nSr B P O\n6 2 2 6\ndirect\n0.333333 0.666667 0.400274 Sr\n0.000000 0.000000 0.250000 Sr\n0.000000 0.000000 0.750000 Sr\n0.666667 0.333333 0.900274 Sr\n0.666667 0.333333 0.599727 Sr\n0.333333 0.666667 0.099727 Sr\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.000000 0.000000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.515385 0.484614 0.250000 O\n0.969229 0.484614 0.250000 O\n0.484614 0.969229 0.750000 O\n0.515385 0.030771 0.250000 O\n0.030771 0.515385 0.750000 O\n0.484614 0.515385 0.750000 O\n",
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]
}