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{
"id": "jvasp-21161",
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{
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{
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{
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"structure_string": "Rb4 Ba4 Ta4 S16\n1.0\n7.042254 0.000000 0.000000\n0.000000 9.396972 0.000000\n0.000000 0.000000 12.512297\nRb Ba Ta S\n4 4 4 16\ndirect\n0.750000 0.636659 0.090488 Rb\n0.250000 0.863341 0.590489 Rb\n0.750000 0.136659 0.409512 Rb\n0.250000 0.363341 0.909512 Rb\n0.750000 0.978589 0.825485 Ba\n0.250000 0.521410 0.325485 Ba\n0.750000 0.478590 0.674515 Ba\n0.250000 0.021410 0.174515 Ba\n0.250000 0.268795 0.578803 Ta\n0.750000 0.231205 0.078803 Ta\n0.250000 0.768795 0.921197 Ta\n0.750000 0.731205 0.421197 Ta\n0.489700 0.318879 0.162179 S\n0.510300 0.181121 0.662179 S\n0.989699 0.181121 0.662179 S\n0.010300 0.318879 0.162179 S\n0.510300 0.681120 0.837821 S\n0.489700 0.818879 0.337821 S\n0.250000 0.011825 0.912711 S\n0.250000 0.693639 0.094638 S\n0.250000 0.511825 0.587290 S\n0.750000 0.988175 0.087290 S\n0.250000 0.193639 0.405362 S\n0.750000 0.306361 0.905362 S\n0.989699 0.681120 0.837821 S\n0.750000 0.806361 0.594638 S\n0.750000 0.488175 0.412711 S\n0.010300 0.818879 0.337821 S\n",
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{
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"updated_at": "2022-09-04T14:38:50.138842Z",
"structure_string": "Fe4 S4 O16 F4\n1.0\n6.966962 -0.000005 -0.000006\n-0.000008 6.463328 -3.633736\n0.000003 -0.032742 7.367861\nFe S O F\n4 4 16 4\ndirect\n0.749999 0.750001 -0.000001 Fe\n0.250000 0.750001 0.500000 Fe\n0.250000 0.250000 -0.000000 Fe\n0.749999 0.250001 0.499999 Fe\n0.857285 0.500001 0.250000 S\n0.357286 0.000001 0.250000 S\n0.642714 0.000001 0.750000 S\n0.142713 0.500001 0.750000 S\n0.268619 0.397946 0.833769 O\n0.768619 0.897945 0.833769 O\n0.231379 0.102056 0.166231 O\n0.731380 0.602056 0.166231 O\n0.768620 0.102057 0.666231 O\n0.268619 0.602056 0.666231 O\n0.731380 0.397946 0.333768 O\n0.231379 0.897945 0.333769 O\n0.478662 0.157804 0.421376 O\n0.521337 0.842198 0.578623 O\n0.978662 0.657804 0.421375 O\n0.021337 0.657803 0.921375 O\n0.521337 0.157804 0.921376 O\n0.478662 0.842198 0.078623 O\n0.978662 0.342198 0.078624 O\n0.021337 0.342198 0.578624 O\n0.161585 0.000001 0.750000 F\n0.338415 0.500000 0.250000 F\n0.838414 0.000001 0.250000 F\n0.661584 0.500001 0.750000 F\n",
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{
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"created_at": "2022-09-04T14:37:36.784140Z",
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"structure_string": "Li2 Si2 Bi2 O8\n1.0\n5.067155 -0.004352 0.009945\n-2.537347 4.394814 -0.019889\n0.001979 -0.003428 8.171641\nLi Si Bi O\n2 2 2 8\ndirect\n0.406513 0.691483 0.046688 Li\n0.593486 0.284970 0.546688 Li\n0.290450 0.646465 0.452055 Si\n0.709548 0.356014 0.952055 Si\n0.069669 0.977923 0.214270 Bi\n-0.069671 0.908253 0.714270 Bi\n-0.037900 0.634667 0.486128 O\n0.394189 0.816116 0.271326 O\n0.535963 0.883104 0.588619 O\n0.254120 0.306891 0.452396 O\n0.464035 0.347140 0.088619 O\n0.605809 0.421925 0.771326 O\n0.745879 0.052772 -0.047604 O\n0.037899 0.672567 -0.013872 O\n",
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{
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"created_at": "2022-09-04T14:38:02.483151Z",
"updated_at": "2022-09-04T14:38:02.483170Z",
"structure_string": "Li1 Mn1 P1 O4\n1.0\n-0.000000 4.293503 0.000000\n2.146751 -2.146752 4.640871\n4.293503 0.000000 0.000000\nLi Mn P O\n1 1 1 4\ndirect\n0.500000 -0.000000 0.500000 Li\n0.750000 0.500000 0.749999 Mn\n0.000000 0.000000 0.000000 P\n0.318963 0.193890 0.098077 O\n0.708034 0.806109 0.318962 O\n0.874926 0.193890 0.708033 O\n0.098077 0.806109 0.874926 O\n",
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{
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"structure_string": "Li4 Nb4 Cu4 O16\n1.0\n5.804602 0.000000 -0.000000\n-0.000000 5.804602 0.000000\n0.000000 -0.000000 9.655446\nLi Nb Cu O\n4 4 4 16\ndirect\n0.000000 0.240753 0.000000 Li\n0.000000 0.759247 0.500000 Li\n0.240753 0.000000 0.250000 Li\n0.759247 0.000000 0.750000 Li\n0.256541 0.256541 0.625000 Nb\n0.256541 0.743459 0.875000 Nb\n0.743459 0.256541 0.375000 Nb\n0.743459 0.743459 0.125000 Nb\n0.759242 0.500000 0.750000 Cu\n0.500000 0.759242 0.500000 Cu\n0.500000 0.240757 0.000000 Cu\n0.240757 0.500000 0.250000 Cu\n0.743386 0.994223 0.492104 O\n0.743386 0.005777 0.007897 O\n0.742455 0.481037 0.009855 O\n0.742455 0.518963 0.490145 O\n0.518963 0.742455 0.759856 O\n0.518963 0.257544 0.740145 O\n0.481037 0.742455 0.240145 O\n0.005777 0.743386 0.242103 O\n0.257544 0.518963 0.509855 O\n0.257544 0.481037 0.990145 O\n0.256613 0.994223 0.507897 O\n0.256613 0.005777 0.992104 O\n0.994223 0.256613 0.742104 O\n0.005777 0.256613 0.257897 O\n0.481037 0.257544 0.259855 O\n0.994223 0.743386 0.757897 O\n",
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{
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"structure_string": "Zr1 Cr1 Cu1 S4\n1.0\n6.165402 0.022818 3.087566\n5.106916 3.454289 3.087566\n0.108728 0.033539 6.047609\nZr Cr Cu S\n1 1 1 4\ndirect\n0.755325 0.755326 0.232537 Zr\n0.244694 0.244695 0.771844 Cr\n0.497605 0.497606 0.477610 Cu\n0.382347 0.382348 0.935438 S\n0.623006 0.623007 0.039775 S\n0.865795 0.865796 0.487461 S\n0.131227 0.131228 0.555339 S\n",
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{
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"structure_string": "Sr1 Y1 Co1 O4\n1.0\n3.568228 -0.019502 -5.512455\n-0.327701 3.553202 -5.512455\n0.017884 0.019502 6.566512\nSr Y Co O\n1 1 1 4\ndirect\n0.643352 0.643352 0.000001 Sr\n0.363264 0.363264 0.000001 Y\n0.007210 0.007210 0.000000 Co\n0.840752 0.840752 0.000002 O\n0.174090 0.174089 0.000000 O\n0.985668 0.485668 0.500001 O\n0.485668 0.985667 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:36:13.359396Z",
"updated_at": "2022-09-04T14:36:13.359412Z",
"structure_string": "Li4 Cu4 P4 O16\n1.0\n4.232058 0.000000 0.000000\n-0.000000 4.555303 0.000000\n0.000000 0.000000 15.005805\nLi Cu P O\n4 4 4 16\ndirect\n0.000000 0.250000 0.249494 Li\n0.000000 0.750000 0.750507 Li\n0.500000 0.750000 0.250507 Li\n0.500000 0.250000 0.749494 Li\n0.000000 0.750000 0.075933 Cu\n0.000000 0.250000 0.924068 Cu\n0.500000 0.250000 0.424067 Cu\n0.500000 0.750000 0.575933 Cu\n0.500000 0.250000 0.114791 P\n0.500000 0.750000 0.885209 P\n0.000000 0.250000 0.614791 P\n0.000000 0.750000 0.385209 P\n0.268901 0.572842 0.944165 O\n0.268901 0.072842 0.055836 O\n0.231100 0.572842 0.444165 O\n0.231100 0.072842 0.555836 O\n0.304117 0.964956 0.825946 O\n0.304117 0.464957 0.174055 O\n0.695884 0.535043 0.825946 O\n0.804117 0.035043 0.674055 O\n0.768901 0.427158 0.555836 O\n0.768901 0.927157 0.444165 O\n0.731100 0.927157 0.944165 O\n0.731100 0.427158 0.055836 O\n0.195884 0.964956 0.325945 O\n0.804117 0.535043 0.325945 O\n0.695884 0.035043 0.174055 O\n0.195884 0.464957 0.674055 O\n",
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{
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"created_at": "2022-09-04T14:37:19.119173Z",
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"structure_string": "Li2 Cr2 Co2 O8\n1.0\n-2.866211 1.625003 4.672870\n-2.866211 4.947292 -0.025555\n-2.866211 -1.625003 -4.672870\nLi Cr Co O\n2 2 2 8\ndirect\n0.750000 0.126915 0.623085 Li\n0.249999 0.873085 0.376915 Li\n0.500000 -0.000000 0.000000 Cr\n-0.000000 0.500000 0.000000 Cr\n0.500000 0.500000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.524364 0.738281 0.786084 O\n0.975635 0.738280 0.237353 O\n0.971641 0.288551 0.239807 O\n0.528358 0.731834 0.239807 O\n0.471641 0.268166 0.760193 O\n0.028358 0.711449 0.760193 O\n0.024364 0.261720 0.762647 O\n0.475635 0.261719 0.213916 O\n",
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]
}