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{
"id": "jvasp-43530",
"created_at": "2022-09-04T14:36:02.595740Z",
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"structure_string": "Li4 V4 F16\n1.0\n4.515459 0.000000 0.000000\n-0.000000 4.995905 0.000000\n0.000000 0.000000 11.720246\nLi V F\n4 4 16\ndirect\n0.000000 0.250000 0.319300 Li\n0.000000 0.749999 0.680700 Li\n0.500000 0.749999 0.180700 Li\n0.500000 0.250000 0.819300 Li\n0.000000 0.250000 0.070608 V\n0.000000 0.749999 0.929393 V\n0.500000 0.749999 0.429393 V\n0.500000 0.250000 0.570608 V\n0.233073 0.586251 0.816142 F\n0.233073 0.086252 0.183858 F\n0.266927 0.586251 0.316142 F\n0.266927 0.086252 0.683858 F\n0.261138 0.583527 0.556231 F\n0.261138 0.083527 0.443770 F\n0.738862 0.416472 0.443770 F\n0.766927 0.413748 0.183858 F\n0.733073 0.413748 0.683858 F\n0.733073 0.913747 0.316142 F\n0.238862 0.083527 0.943770 F\n0.766927 0.913747 0.816142 F\n0.761138 0.416472 0.943770 F\n0.761138 0.916472 0.056230 F\n0.738862 0.916472 0.556231 F\n0.238862 0.583527 0.056230 F\n",
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{
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{
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"structure_string": "Sr2 Li2 Al2 F12\n1.0\n2.552496 -4.421051 -0.000000\n2.552496 4.421051 0.000000\n0.000000 0.000000 10.305641\nSr Li Al F\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333334 0.666668 0.250000 Li\n0.666668 0.333334 0.750000 Li\n0.666668 0.333334 0.250000 Al\n0.333334 0.666668 0.750000 Al\n0.641554 0.027551 0.351809 F\n0.358448 0.385998 0.851809 F\n0.972451 0.614004 0.351809 F\n0.385997 0.027551 0.148191 F\n0.641554 0.614004 0.148191 F\n0.027551 0.385997 0.648191 F\n0.614004 0.641554 0.648191 F\n0.027551 0.641554 0.851809 F\n0.358448 0.972451 0.648191 F\n0.972451 0.358448 0.148191 F\n0.385998 0.358448 0.351809 F\n0.614004 0.972451 0.851809 F\n",
"nsites": 18,
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{
"id": "jvasp-47021",
"created_at": "2022-09-04T14:38:07.854899Z",
"updated_at": "2022-09-04T14:38:07.854929Z",
"structure_string": "Li2 V2 Si1 Ge1 O10\n1.0\n6.396969 0.041316 0.000000\n0.041316 6.396969 0.000000\n0.000000 0.000000 4.543102\nLi V Si Ge O\n2 2 1 1 10\ndirect\n0.011056 0.511056 0.000000 Li\n0.488945 0.988944 0.000000 Li\n0.250000 0.250000 0.612969 V\n0.750001 0.750001 0.387031 V\n0.250001 0.750000 0.500000 Si\n0.750000 0.250001 0.500000 Ge\n0.040262 0.745191 0.289734 O\n0.245191 0.540262 0.710266 O\n0.250000 0.250000 0.254796 O\n0.254810 0.959738 0.710266 O\n0.459739 0.754809 0.289734 O\n0.529637 0.241872 0.735856 O\n0.741871 0.029638 0.264143 O\n0.758129 0.470363 0.264143 O\n0.750001 0.750001 0.745203 O\n0.970363 0.258129 0.735856 O\n",
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{
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"created_at": "2022-09-04T14:37:56.612041Z",
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"structure_string": "K2 Ga1 Hg1 Cl6\n1.0\n6.337638 -0.000000 3.659037\n2.112546 5.975182 3.659037\n-0.000000 -0.000000 7.318073\nK Ga Hg Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500000 0.500000 Hg\n0.766551 0.233449 0.233449 Cl\n0.233449 0.233449 0.766551 Cl\n0.233450 0.766551 0.766551 Cl\n0.233450 0.766551 0.233449 Cl\n0.766551 0.233449 0.766551 Cl\n0.766552 0.766551 0.233449 Cl\n",
"nsites": 10,
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{
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"created_at": "2022-09-04T14:36:58.464841Z",
"updated_at": "2022-09-04T14:36:58.464857Z",
"structure_string": "V2 F8\n1.0\n3.047899 0.000000 0.000000\n-0.000000 4.143390 2.146532\n0.000000 0.420364 10.146106\nV F\n2 8\ndirect\n0.750696 0.982286 0.255295 V\n0.249304 0.982285 0.755295 V\n0.249614 0.157288 0.873220 F\n0.250534 0.704142 0.367854 F\n0.249620 0.807286 0.637368 F\n0.250532 0.260423 0.142735 F\n0.750386 0.157288 0.373220 F\n0.749466 0.704142 0.867854 F\n0.750380 0.807287 0.137368 F\n0.749468 0.260422 0.642735 F\n",
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{
"id": "jvasp-24447",
"created_at": "2022-09-04T14:38:03.965016Z",
"updated_at": "2022-09-04T14:38:03.965042Z",
"structure_string": "Kr2 F4\n1.0\n4.576641 -0.000000 0.000000\n-0.000000 4.576641 0.000000\n0.000000 0.000000 5.743656\nKr F\n2 4\ndirect\n0.000000 0.000000 0.000000 Kr\n0.500000 0.500000 0.500000 Kr\n0.199330 0.800670 0.500000 F\n0.300670 0.300670 0.000000 F\n0.699330 0.699330 0.000000 F\n0.800670 0.199330 0.500000 F\n",
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},
{
"id": "jvasp-42706",
"created_at": "2022-09-04T14:37:11.994442Z",
"updated_at": "2022-09-04T14:37:11.994461Z",
"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.196092 -0.025117 0.058785\n-0.141980 5.966928 0.187177\n0.012278 -1.632817 7.668217\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.406577 0.701593 0.018155 Li\n0.593423 0.298406 0.981846 Li\n0.914133 0.211961 0.519237 Li\n0.085866 0.788039 0.480765 Li\n0.083812 0.079228 0.831565 Mn\n0.916188 0.920772 0.168436 Mn\n0.564929 0.561893 0.353818 Fe\n0.435071 0.438107 0.646183 Fe\n0.418361 0.068907 0.335318 B\n0.581639 0.931093 0.664684 B\n0.927053 0.584600 0.829138 B\n0.072947 0.415400 0.170864 B\n0.066935 0.755808 0.936561 O\n0.662660 0.564067 0.849436 O\n0.427825 0.761027 0.564259 O\n0.941894 0.571989 0.291956 O\n0.337340 0.435933 0.150565 O\n0.933065 0.244192 0.063441 O\n0.464856 0.094269 0.785166 O\n0.058106 0.428011 0.708045 O\n0.572175 0.238973 0.435743 O\n0.157177 0.062576 0.363306 O\n0.535144 0.905730 0.214835 O\n0.842822 0.937423 0.636696 O\n",
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],
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{
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"structure_string": "Sc1 N1\n1.0\n2.441894 2.441894 -0.000000\n2.441894 0.000000 -2.441894\n0.000000 2.441894 -2.441894\nSc N\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.749999 0.749999 0.749999 N\n",
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{
"id": "jvasp-57510",
"created_at": "2022-09-04T14:37:14.550039Z",
"updated_at": "2022-09-04T14:37:14.550065Z",
"structure_string": "Li2 Sc2 F8\n1.0\n4.566332 0.000045 -2.023682\n-0.896730 4.477454 -2.023666\n0.004554 0.005580 6.174328\nLi Sc F\n2 2 8\ndirect\n0.874994 0.624989 0.749987 Li\n0.125004 0.375009 0.250012 Li\n0.624996 0.874996 0.249995 Sc\n0.375002 0.125002 0.750004 Sc\n0.618964 0.257836 0.589802 F\n0.970835 0.831968 0.589804 F\n0.757837 0.470831 0.089810 F\n0.242161 0.529167 0.910189 F\n0.668024 0.881023 0.910188 F\n0.029164 0.168030 0.410195 F\n0.331975 0.118975 0.089811 F\n0.381034 0.742162 0.410197 F\n",
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{
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"created_at": "2022-09-04T14:37:06.001773Z",
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"structure_string": "Ni2 H4 S2 O10\n1.0\n3.005952 3.835710 -1.559183\n-3.005952 3.835710 1.559183\n0.038447 0.000000 7.381810\nNi H S O\n2 4 2 10\ndirect\n0.500000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.429708 0.156732 0.797249 H\n0.156732 0.429707 0.702751 H\n0.570292 0.843268 0.202751 H\n0.843268 0.570292 0.297249 H\n0.841141 0.841140 0.750000 S\n0.158859 0.158859 0.250000 S\n0.384070 0.161345 0.158869 O\n0.161345 0.384069 0.341131 O\n0.615931 0.838655 0.841131 O\n0.838655 0.615930 0.658869 O\n0.120737 0.779079 0.908538 O\n0.879263 0.220920 0.091463 O\n0.779080 0.120737 0.591463 O\n0.368765 0.368765 0.750000 O\n0.220921 0.879263 0.408538 O\n0.631235 0.631235 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:36:12.271679Z",
"updated_at": "2022-09-04T14:36:12.271719Z",
"structure_string": "Li4 Fe2 F8\n1.0\n4.971160 2.878252 0.068630\n-4.971160 2.878252 -0.068630\n0.008925 0.000000 5.030905\nLi Fe F\n4 2 8\ndirect\n0.333563 0.917449 0.766956 Li\n0.082550 0.666436 0.266956 Li\n0.917448 0.333564 0.733045 Li\n0.666436 0.082551 0.233045 Li\n0.624069 0.624070 0.750001 Fe\n0.375930 0.375930 0.250000 Fe\n0.719532 -0.008274 0.888794 F\n0.008274 0.280467 0.388794 F\n0.249383 0.515440 0.913486 F\n0.484559 0.750616 0.413485 F\n0.515440 0.249384 0.586516 F\n0.750615 0.484560 0.086515 F\n-0.008275 0.719533 0.611207 F\n0.280467 0.008275 0.111207 F\n",
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]
}