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{
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"structure_string": "Pb8 O12\n1.0\n5.763583 -0.798734 0.000462\n-0.969994 6.708040 -0.000085\n-0.000498 -0.000195 8.226025\nPb O\n8 12\ndirect\n-0.000001 0.000011 0.250000 Pb\n0.537649 0.140789 0.500007 Pb\n0.000007 0.500003 0.749992 Pb\n0.462356 0.859194 0.000011 Pb\n0.462345 0.359198 -0.000020 Pb\n-0.000017 -0.000007 0.750009 Pb\n-0.000002 0.500005 0.250002 Pb\n0.537641 0.640806 0.499987 Pb\n0.256463 0.811950 0.288940 O\n0.256461 0.311949 0.288954 O\n0.743540 0.688048 0.788952 O\n0.256457 0.311925 0.711055 O\n0.743547 0.688065 0.211059 O\n0.256454 0.811941 0.711050 O\n-0.155145 0.961677 0.500003 O\n0.743534 0.188055 0.788945 O\n0.155157 0.538332 -0.000003 O\n0.844859 0.461671 0.499999 O\n0.743542 0.188055 0.211053 O\n0.155150 0.038331 0.000001 O\n",
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{
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"structure_string": "Na4 V2 C2 S2 O14\n1.0\n0.000000 5.225553 -0.028824\n6.656603 0.000000 0.000000\n0.000000 -0.101379 -8.959807\nNa V C S O\n4 2 2 2 14\ndirect\n0.771560 0.000571 0.216938 Na\n0.771560 0.499429 0.216938 Na\n0.228439 0.500571 0.783061 Na\n0.228439 0.999429 0.783061 Na\n0.220428 0.250000 0.355998 V\n0.779571 0.750000 0.644002 V\n0.290349 0.250000 0.078967 C\n0.709650 0.750000 0.921032 C\n0.283601 0.750000 0.415690 S\n0.716399 0.250000 0.584310 S\n0.521895 0.750000 0.822260 O\n0.804827 0.070460 0.667161 O\n0.804827 0.429540 0.667161 O\n0.173439 0.750000 0.568898 O\n0.430104 0.250000 0.571465 O\n0.569896 0.750000 0.428535 O\n0.062399 0.250000 0.140238 O\n0.195172 0.570459 0.332839 O\n0.195172 0.929540 0.332839 O\n0.478104 0.250000 0.177740 O\n0.937600 0.750000 0.859762 O\n0.673335 0.750000 0.059832 O\n0.826560 0.250000 0.431102 O\n0.326664 0.250000 0.940168 O\n",
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{
"id": "jvasp-88857",
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"updated_at": "2022-09-04T14:35:48.506479Z",
"structure_string": "Mg8 Ge4 O16\n1.0\n4.963323 -0.000000 0.000000\n0.000000 6.064353 0.000000\n0.000000 0.000000 10.355273\nMg Ge O\n8 4 16\ndirect\n0.007307 0.750000 0.724239 Mg\n0.507307 0.250000 0.775760 Mg\n0.992692 0.250000 0.275760 Mg\n0.492692 0.750000 0.224240 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.937145 0.750000 0.404911 Ge\n0.062854 0.250000 0.595089 Ge\n0.562854 0.750000 0.904911 Ge\n0.437146 0.250000 0.095089 Ge\n0.291285 0.750000 0.408112 O\n0.791285 0.250000 0.091888 O\n0.235441 0.480447 0.664970 O\n0.769817 0.750000 0.560755 O\n0.269817 0.250000 0.939245 O\n0.230183 0.250000 0.439245 O\n0.730182 0.750000 0.060755 O\n0.735441 0.980447 0.835030 O\n0.235441 0.019553 0.664970 O\n0.264559 0.480447 0.164970 O\n0.764558 0.519553 0.335030 O\n0.264559 0.019553 0.164970 O\n0.764558 0.980447 0.335030 O\n0.735441 0.519553 0.835030 O\n0.208714 0.750000 0.908112 O\n0.708714 0.250000 0.591888 O\n",
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{
"id": "jvasp-23777",
"created_at": "2022-09-04T14:37:50.616570Z",
"updated_at": "2022-09-04T14:37:50.616595Z",
"structure_string": "Hf10 Ga6\n1.0\n3.986136 -6.904190 0.000000\n3.986136 6.904190 -0.000000\n-0.000000 -0.000000 5.662972\nHf Ga\n10 6\ndirect\n0.333334 0.666668 0.000000 Hf\n0.666668 0.333334 0.500000 Hf\n0.666668 0.333334 0.000000 Hf\n0.333334 0.666668 0.500000 Hf\n0.240790 0.000000 0.250000 Hf\n0.240790 0.240790 0.750000 Hf\n0.000000 0.759211 0.750000 Hf\n0.000000 0.240790 0.250000 Hf\n0.759211 0.759211 0.250000 Hf\n0.759211 0.000000 0.750000 Hf\n0.607545 0.000000 0.250000 Ga\n0.607545 0.607545 0.750000 Ga\n0.000000 0.392455 0.750000 Ga\n0.000000 0.607545 0.250000 Ga\n0.392456 0.392456 0.250000 Ga\n0.392455 0.000000 0.750000 Ga\n",
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{
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"created_at": "2022-09-04T14:37:45.556678Z",
"updated_at": "2022-09-04T14:37:45.556704Z",
"structure_string": "Hg4 Se4 O12\n1.0\n6.083679 -0.000000 0.000000\n0.000000 6.158129 0.000000\n0.000000 0.000000 8.320360\nHg Se O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n-0.000211 0.943654 0.250000 Se\n0.499789 0.556347 0.750000 Se\n0.500211 0.443654 0.250000 Se\n0.000211 0.056347 0.750000 Se\n0.238518 0.354957 0.250000 O\n0.738518 0.145043 0.750000 O\n0.120204 0.198807 0.586731 O\n0.620204 0.301193 0.413269 O\n0.379796 0.698808 0.913269 O\n0.620204 0.301193 0.086731 O\n0.879796 0.801193 0.413269 O\n0.379796 0.698808 0.586731 O\n0.761482 0.645044 0.750000 O\n0.120204 0.198807 0.913269 O\n0.879796 0.801193 0.086731 O\n0.261482 0.854957 0.250000 O\n",
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{
"id": "jvasp-50228",
"created_at": "2022-09-04T14:37:02.250295Z",
"updated_at": "2022-09-04T14:37:02.250319Z",
"structure_string": "Rb6 In2 O6\n1.0\n3.846407 5.923820 0.093028\n-3.846407 5.923820 -0.093028\n-1.484320 0.000000 6.804663\nRb In O\n6 2 6\ndirect\n0.367695 0.632305 0.647548 Rb\n0.808533 0.808533 0.500000 Rb\n0.191467 0.191467 0.500000 Rb\n0.259241 0.259241 0.000000 Rb\n0.740759 0.740759 -0.000000 Rb\n0.632305 0.367695 0.352451 Rb\n0.180448 0.819552 0.146365 In\n0.819551 0.180448 0.853634 In\n0.095391 0.904609 0.833702 O\n0.161070 0.552301 0.271161 O\n0.447699 0.838930 0.271161 O\n0.838930 0.447699 0.728839 O\n0.552301 0.161070 0.728839 O\n0.904609 0.095391 0.166298 O\n",
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{
"id": "jvasp-7070",
"created_at": "2022-09-04T14:38:15.652405Z",
"updated_at": "2022-09-04T14:38:15.652437Z",
"structure_string": "V4 Bi4 O16\n1.0\n7.302100 0.000000 -0.071795\n0.000000 11.692698 0.000000\n-3.614987 0.000000 3.686856\nV Bi O\n4 4 16\ndirect\n0.000000 0.125002 0.250000 V\n0.000000 0.874999 0.750001 V\n0.500000 0.625002 0.250000 V\n0.500000 0.374999 0.750000 V\n0.000000 0.625009 0.250000 Bi\n0.000000 0.374991 0.750001 Bi\n0.500000 0.125009 0.250000 Bi\n0.500000 0.874991 0.750000 Bi\n0.750193 0.045782 0.859949 O\n0.249806 0.954218 0.140051 O\n0.749806 0.545782 0.640051 O\n0.250193 0.454218 0.359949 O\n0.250193 0.545782 0.859949 O\n0.749806 0.454218 0.140050 O\n0.359736 0.295780 0.859561 O\n0.859736 0.795780 0.859560 O\n0.640263 0.295780 0.640439 O\n0.359736 0.704220 0.359560 O\n0.750193 0.954218 0.359948 O\n0.140264 0.204220 0.140440 O\n0.140264 0.795780 0.640440 O\n0.859736 0.204220 0.359559 O\n0.640263 0.704220 0.140439 O\n0.249806 0.045782 0.640051 O\n",
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{
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"created_at": "2022-09-04T14:37:16.688503Z",
"updated_at": "2022-09-04T14:37:16.688525Z",
"structure_string": "Mn8 Zn2 O18\n1.0\n4.441758 0.000080 0.000122\n0.000253 8.377793 0.000055\n0.000467 0.000058 8.377993\nMn Zn O\n8 2 18\ndirect\n0.580019 0.533561 0.340326 Mn\n0.419981 0.840331 0.466441 Mn\n0.580035 0.340331 0.966435 Mn\n0.419961 0.033559 0.840331 Mn\n0.580039 0.966442 0.159669 Mn\n0.580016 0.159668 0.533559 Mn\n0.419982 0.466438 0.659671 Mn\n0.419970 0.659670 0.033562 Mn\n0.969842 0.749993 0.750008 Zn\n0.030159 0.250006 0.249993 Zn\n0.551638 0.857339 0.956282 O\n0.551634 0.543724 0.857334 O\n0.448369 0.456277 0.142662 O\n0.448353 0.357341 0.456284 O\n0.448365 0.142662 0.043718 O\n0.448368 0.043722 0.357341 O\n0.946886 0.181433 0.484123 O\n0.946900 0.015881 0.181428 O\n0.053104 0.515870 0.681438 O\n0.946899 0.318569 0.015863 O\n0.053111 0.818566 0.515879 O\n0.053101 0.984120 0.818573 O\n0.551646 0.642657 0.543713 O\n0.053103 0.681432 0.984134 O\n0.500000 0.250000 0.750000 O\n0.499999 0.750001 0.249998 O\n0.946897 0.484128 0.318559 O\n0.551630 0.956277 0.642659 O\n",
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{
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"created_at": "2022-09-04T14:36:02.794348Z",
"updated_at": "2022-09-04T14:36:02.794363Z",
"structure_string": "Pd2 Au4 F16\n1.0\n5.103291 0.060537 0.000000\n0.058464 5.543463 0.000000\n0.000000 0.000000 11.022166\nPd Au F\n2 4 16\ndirect\n0.500000 0.000000 0.000000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.273054 0.013166 0.684784 Au\n0.773054 0.513166 0.815217 Au\n0.726944 0.986834 0.315217 Au\n0.226945 0.486834 0.184784 Au\n0.783477 0.195078 0.899209 F\n0.716522 0.304923 0.399209 F\n0.280342 0.319794 0.771256 F\n0.219657 0.180206 0.271256 F\n0.719657 0.680206 0.228744 F\n0.244605 0.176250 0.524755 F\n0.291522 0.851271 0.846236 F\n0.791523 0.351272 0.653765 F\n0.708477 0.148729 0.153764 F\n0.283477 0.695077 0.600791 F\n0.216522 0.804922 0.100791 F\n0.744604 0.676250 0.975246 F\n0.755394 0.823750 0.475245 F\n0.255395 0.323750 0.024755 F\n0.208476 0.648728 0.346236 F\n0.780342 0.819794 0.728744 F\n",
"nsites": 22,
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],
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"volume": 311.7770171971393,
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{
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"structure_string": "Rb3 Mg3\n1.0\n0.000000 0.000000 5.327265\n5.794760 5.050076 0.000000\n0.000000 10.100157 0.000000\nRb Mg\n3 3\ndirect\n0.500000 0.333335 0.105450 Rb\n0.000000 0.713158 0.570081 Rb\n0.000000 0.953508 0.949905 Rb\n0.500000 0.600080 0.342769 Mg\n0.000000 0.333335 0.422282 Mg\n0.500000 0.066587 0.609515 Mg\n",
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},
{
"id": "jvasp-122598",
"created_at": "2022-09-04T14:38:51.699687Z",
"updated_at": "2022-09-04T14:38:51.699721Z",
"structure_string": "Pa1 Sn7\n1.0\n6.780988 -0.000000 0.000000\n-0.000000 6.780988 -0.000000\n-0.000000 0.000000 6.780988\nPa Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Pa\n0.258127 0.258127 0.758127 Sn\n0.000000 0.500000 0.000000 Sn\n0.258127 0.741873 0.241873 Sn\n0.500000 0.000000 0.000000 Sn\n0.741873 0.258127 0.241873 Sn\n0.500000 0.500000 0.500000 Sn\n0.741873 0.741873 0.758127 Sn\n",
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{
"id": "jvasp-107143",
"created_at": "2022-09-04T14:36:54.970859Z",
"updated_at": "2022-09-04T14:36:54.970871Z",
"structure_string": "Rb2 Na1 Nd1 Cl6\n1.0\n6.591686 -0.000000 3.805712\n2.197229 6.214701 3.805712\n-0.000000 -0.000000 7.611423\nRb Na Nd Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Nd\n0.748411 0.251589 0.251589 Cl\n0.251589 0.251589 0.748410 Cl\n0.251589 0.748411 0.748410 Cl\n0.251589 0.748411 0.251589 Cl\n0.748411 0.251589 0.748410 Cl\n0.748412 0.748411 0.251588 Cl\n",
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}
]
}