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{
"id": "jvasp-119006",
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"structure_string": "Fe8 O4 F12\n1.0\n4.748977 -0.019798 -0.270648\n-0.084132 5.802061 -1.888665\n0.019901 0.087556 10.135468\nFe O F\n8 4 12\ndirect\n0.496350 0.863552 0.249516 Fe\n0.503646 0.613768 0.750461 Fe\n0.503651 0.136449 0.750485 Fe\n0.496354 0.386232 0.249539 Fe\n0.000000 0.500000 0.000000 Fe\n0.961617 0.238813 0.477861 Fe\n0.000000 0.000000 0.000000 Fe\n0.038383 0.761187 0.522139 Fe\n0.706666 0.423204 0.846777 O\n0.682457 0.167935 0.335634 O\n0.293335 0.576796 0.153224 O\n0.317544 0.832065 0.664366 O\n0.795363 0.050593 0.595875 F\n0.204638 0.949407 0.404125 F\n0.204376 0.454866 0.404194 F\n0.212608 0.705467 0.904421 F\n0.212616 0.199129 0.904360 F\n0.277985 0.076831 0.153555 F\n0.276011 0.320174 0.640812 F\n0.722016 0.923169 0.846446 F\n0.723990 0.679826 0.359189 F\n0.795625 0.545134 0.595807 F\n0.787392 0.294533 0.095579 F\n0.787385 0.800871 0.095640 F\n",
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{
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"structure_string": "La8 Cu2 Ni2 O16\n1.0\n3.772981 0.000598 0.485797\n-2.028133 6.690495 0.865675\n-0.005481 0.101991 14.966225\nLa Cu Ni O\n8 2 2 16\ndirect\n0.479671 0.118880 0.159180 La\n0.979673 0.618880 0.659179 La\n0.020326 0.381119 0.340820 La\n0.520328 0.881121 0.840819 La\n0.226567 0.863662 0.408472 La\n0.726574 0.363662 0.908471 La\n0.273435 0.636341 0.091526 La\n0.773430 0.136338 0.591528 La\n-0.000001 0.000004 0.000001 Cu\n0.499998 0.499996 0.499999 Cu\n0.750001 0.749996 0.249999 Ni\n0.250000 0.249997 0.750001 Ni\n0.364091 0.178277 0.448747 O\n0.371951 0.369415 0.626029 O\n0.871952 0.869417 0.126029 O\n0.635909 0.821723 0.551254 O\n0.135904 0.321724 0.051255 O\n0.864092 0.678275 0.948747 O\n0.387051 0.565246 0.791540 O\n0.000001 0.499999 0.500001 O\n0.112951 0.934753 0.708461 O\n0.612952 0.434752 0.208462 O\n0.750002 0.250001 0.749999 O\n0.249996 0.749996 0.250000 O\n0.628050 0.630586 0.373973 O\n0.500002 0.000000 -0.000001 O\n0.887045 0.065246 0.291541 O\n0.128058 0.130587 0.873970 O\n",
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{
"id": "jvasp-118406",
"created_at": "2022-09-04T14:38:49.716510Z",
"updated_at": "2022-09-04T14:38:49.716520Z",
"structure_string": "H2 F1\n1.0\n4.346595 1.161851 0.571589\n0.955999 -2.940304 -0.327463\n-1.789197 -1.866218 -2.260552\nH F\n2 1\ndirect\n0.690867 0.027168 0.875547 H\n0.684153 0.041692 0.578622 H\n0.687672 0.034293 0.227325 F\n",
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{
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"structure_string": "Li8 Cr4 O8\n1.0\n5.468772 0.166204 0.000019\n1.464047 6.344712 0.000015\n-0.000020 -0.000009 5.684857\nLi Cr O\n8 4 8\ndirect\n0.634730 0.326527 0.499998 Li\n0.634731 0.826526 0.750000 Li\n0.634730 0.326527 -0.000003 Li\n0.634731 0.826526 0.250000 Li\n0.365271 0.673472 0.499997 Li\n0.365270 0.173473 0.750000 Li\n0.365271 0.673472 -0.000003 Li\n0.365270 0.173473 0.250000 Li\n0.000000 -0.000000 -0.000029 Cr\n0.000000 0.500000 0.750031 Cr\n0.000000 -0.000000 0.499971 Cr\n0.000000 0.500000 0.250030 Cr\n0.263506 0.400447 0.500023 O\n0.263508 0.900447 0.749978 O\n0.263506 0.400448 0.000023 O\n0.263508 0.900447 0.249978 O\n0.736495 0.599551 0.500023 O\n0.736492 0.099552 0.749979 O\n0.736495 0.599551 0.000023 O\n0.736492 0.099552 0.249979 O\n",
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{
"id": "jvasp-117195",
"created_at": "2022-09-04T14:38:49.354834Z",
"updated_at": "2022-09-04T14:38:49.354856Z",
"structure_string": "Sr4 Pr2 Fe6 O18\n1.0\n5.414683 -0.001073 0.034149\n2.712013 4.686553 0.034149\n-0.042284 -0.024379 13.272983\nSr Pr Fe O\n4 2 6 18\ndirect\n0.833082 0.833083 0.082001 Sr\n0.166273 0.166273 0.418163 Sr\n0.166918 0.166917 0.917999 Sr\n0.833727 0.833727 0.581837 Sr\n0.502095 0.502095 0.750060 Pr\n0.497905 0.497905 0.249940 Pr\n0.165937 0.165937 0.665874 Fe\n0.834063 0.834063 0.334126 Fe\n0.499999 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.167346 0.167346 0.165898 Fe\n0.832654 0.832654 0.834102 Fe\n0.670922 0.179967 0.909159 O\n0.327917 0.327917 0.077712 O\n0.343856 0.343856 0.595071 O\n0.009016 0.009015 0.257788 O\n0.672083 0.672083 0.922288 O\n0.342901 0.836136 0.582082 O\n0.012532 0.509124 0.246058 O\n0.490876 0.987468 0.753941 O\n0.987468 0.490876 0.753941 O\n0.820032 0.329078 0.090840 O\n0.836136 0.342901 0.582082 O\n0.509124 0.012532 0.246058 O\n0.179968 0.670921 0.909159 O\n0.656144 0.656144 0.404929 O\n0.657099 0.163864 0.417917 O\n0.329078 0.820033 0.090840 O\n0.163864 0.657099 0.417917 O\n0.990984 0.990985 0.742212 O\n",
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{
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"created_at": "2022-09-04T14:38:49.154718Z",
"updated_at": "2022-09-04T14:38:49.154740Z",
"structure_string": "Dy5 Mo2 O12\n1.0\n6.506056 -0.006386 1.902623\n3.980369 5.146403 1.902623\n0.000561 0.000275 7.530685\nDy Mo O\n5 2 12\ndirect\n0.305824 0.305824 0.360357 Dy\n0.694177 0.694176 0.639641 Dy\n0.314905 0.314905 0.822165 Dy\n0.685096 0.685094 0.177833 Dy\n-0.000000 0.000000 0.500000 Dy\n0.781852 0.218148 -0.000001 Mo\n0.218150 0.781850 -0.000000 Mo\n0.000612 0.000613 0.204525 O\n0.999388 0.999387 0.795474 O\n0.407141 0.902277 0.425111 O\n0.902278 0.407140 0.425111 O\n0.592860 0.097723 0.574888 O\n0.092634 0.579659 0.082765 O\n0.579660 0.092633 0.082765 O\n0.500756 0.500756 0.816959 O\n0.420341 0.907366 0.917234 O\n0.907367 0.420340 0.917234 O\n0.097723 0.592860 0.574888 O\n0.499245 0.499244 0.183039 O\n",
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{
"id": "jvasp-113750",
"created_at": "2022-09-04T14:38:49.045064Z",
"updated_at": "2022-09-04T14:38:49.045073Z",
"structure_string": "H1 Au1 O2\n1.0\n3.042714 -1.561057 -0.556129\n3.042714 1.561057 -0.556129\n-3.980406 0.000000 5.188030\nH Au O\n1 1 2\ndirect\n0.499998 0.499998 0.499999 H\n0.499999 0.499999 -0.000000 Au\n0.207824 0.207824 0.294337 O\n0.792173 0.792173 0.705662 O\n",
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},
{
"id": "jvasp-117281",
"created_at": "2022-09-04T14:38:49.009885Z",
"updated_at": "2022-09-04T14:38:49.009904Z",
"structure_string": "Li2 Co3 Ni1 O8\n1.0\n4.836661 -0.066219 -2.848705\n1.601207 4.679338 -2.831413\n0.103826 0.047036 5.613284\nLi Co Ni O\n2 3 1 8\ndirect\n0.500007 0.500001 0.999989 Li\n0.000001 0.500000 0.499998 Li\n0.500000 1.000000 0.500002 Co\n0.499998 0.000002 0.000001 Co\n-0.000000 0.000001 0.500001 Co\n0.000001 0.999998 0.000002 Ni\n0.765115 0.210912 0.234897 O\n0.234886 0.789089 0.765106 O\n0.264858 0.210395 0.735127 O\n0.735141 0.789609 0.264877 O\n0.264942 0.205502 0.237105 O\n0.763023 0.205423 0.735172 O\n0.236978 0.794577 0.264834 O\n0.735058 0.794497 0.762900 O\n",
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"structure_string": "Mn4 Tl4 O4 F16\n1.0\n7.689823 -0.186250 1.399126\n4.484675 6.249460 1.399126\n0.212805 0.105982 8.179185\nMn Tl O F\n4 4 4 16\ndirect\n0.000001 0.500000 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.250022 0.749978 0.250001 Mn\n0.749979 0.250021 0.750001 Mn\n0.637171 0.137140 0.375669 Tl\n0.862860 0.362829 0.124332 Tl\n0.362830 0.862860 0.624332 Tl\n0.137141 0.637170 0.875670 Tl\n0.499087 -0.001007 0.798443 O\n0.001007 0.500913 0.701558 O\n0.500914 0.001006 0.201558 O\n-0.001006 0.499086 0.298443 O\n0.490855 0.632720 0.343479 F\n0.367281 0.509146 0.156522 F\n0.867243 0.009181 0.656525 F\n-0.009181 0.132756 0.843476 F\n0.132757 -0.009182 0.343476 F\n0.009182 0.867243 0.156525 F\n0.759964 0.740056 0.000045 F\n0.354543 0.854507 0.052908 F\n0.240036 0.259944 -0.000044 F\n0.740057 0.759963 0.500045 F\n0.645458 0.145492 0.947094 F\n0.854508 0.354542 0.552908 F\n0.632721 0.490854 0.843479 F\n0.145493 0.645457 0.447093 F\n0.259944 0.240036 0.499956 F\n0.509146 0.367280 0.656523 F\n",
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"structure_string": "B1 H2 O2\n1.0\n2.600991 -1.687260 0.148555\n2.600991 1.687260 0.148555\n-0.270549 0.000000 5.296617\nB H O\n1 2 2\ndirect\n0.499999 0.499999 -0.000001 B\n0.544475 0.544475 0.588394 H\n0.455522 0.455522 0.411605 H\n0.649089 0.649089 0.807820 O\n0.350908 0.350908 0.192179 O\n",
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{
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{
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"created_at": "2022-09-04T14:38:54.350610Z",
"updated_at": "2022-09-04T14:38:54.350635Z",
"structure_string": "Li5 Mn1 Co2 O8\n1.0\n5.417425 -0.019368 1.573325\n2.462750 4.825321 1.573325\n0.043035 0.026246 4.957196\nLi Mn Co O\n5 1 2 8\ndirect\n0.746570 0.746570 0.502219 Li\n0.268151 0.731849 0.499999 Li\n0.731849 0.268151 0.499999 Li\n0.253430 0.253430 0.497780 Li\n0.500000 0.500000 -0.000001 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 -0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.638913 0.638913 0.221655 O\n0.113349 0.638792 0.227930 O\n0.638792 0.113348 0.227931 O\n0.129614 0.129614 0.220618 O\n0.870386 0.870386 0.779381 O\n0.361208 0.886652 0.772068 O\n0.886651 0.361208 0.772068 O\n0.361087 0.361087 0.778344 O\n",
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]
}