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{
"id": "jvasp-97757",
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"structure_string": "K2 Zr1 Cd1 H16 C8 O24\n1.0\n-5.643267 5.643267 4.348085\n5.643267 -5.643267 4.348085\n5.643267 5.643267 -4.348085\nK Zr Cd H C O\n2 1 1 16 8 24\ndirect\n0.499999 0.499999 0.000000 K\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 Zr\n0.000000 0.000000 0.000000 Cd\n0.995852 0.150197 0.667379 H\n0.482819 0.328473 0.332621 H\n0.849802 0.517181 0.845654 H\n0.671527 0.004148 0.154346 H\n0.139266 0.220657 0.580775 H\n0.639882 0.558491 0.419226 H\n0.779343 0.360118 0.918609 H\n0.441508 0.860734 0.081391 H\n0.811926 0.892918 0.422840 H\n0.470079 0.389087 0.577161 H\n0.107082 0.529922 0.919008 H\n0.610913 0.188073 0.080992 H\n0.583153 0.750919 0.352043 H\n0.398877 0.231111 0.647958 H\n0.249081 0.601124 0.832234 H\n0.768889 0.416846 0.167766 H\n0.229982 0.953889 0.276021 C\n0.677867 0.953961 0.723979 C\n0.046039 0.770018 0.723907 C\n0.046111 0.322132 0.276094 C\n0.558742 0.795921 0.777952 C\n0.219209 0.441258 0.237179 C\n0.204079 0.982031 0.762821 C\n0.017969 0.780790 0.222049 C\n0.851891 0.411851 0.852815 O\n0.559037 -0.000924 0.147186 O\n0.694459 0.754086 0.358935 O\n0.395152 0.335525 0.641066 O\n0.245914 0.604848 0.940373 O\n0.664475 0.305540 0.059627 O\n0.352872 0.969351 0.394249 O\n0.575103 0.958624 0.605752 O\n0.030649 0.424897 0.383522 O\n0.041376 0.647127 0.616479 O\n0.268137 0.064562 0.205111 O\n0.935438 0.140548 0.203575 O\n0.936974 0.731863 0.796426 O\n0.886056 0.748662 0.106375 O\n0.642287 0.779682 0.893625 O\n0.251337 0.357713 0.137395 O\n0.220319 0.113943 0.862606 O\n-0.002783 0.678977 0.306553 O\n0.372424 0.690665 0.693448 O\n0.321023 0.627576 0.318241 O\n0.309336 0.002783 0.681760 O\n0.588148 0.440962 0.440039 O\n0.859452 0.063026 0.794890 O\n0.000924 0.148110 0.559961 O\n",
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{
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"created_at": "2022-09-04T14:38:11.395142Z",
"updated_at": "2022-09-04T14:38:11.395166Z",
"structure_string": "Zn2 Cr4 O8\n1.0\n5.933672 -0.063047 0.025466\n2.912236 5.170234 0.025466\n2.969428 1.714400 4.849056\nZn Cr O\n2 4 8\ndirect\n0.125001 0.624999 0.625001 Zn\n0.625000 0.124999 0.625001 Zn\n0.000896 0.000896 0.999105 Cr\n0.249104 0.249103 0.250897 Cr\n0.625000 0.624999 0.125001 Cr\n0.625000 0.624999 0.625002 Cr\n0.384296 0.384295 0.375196 O\n0.408457 0.858329 0.366608 O\n0.384296 0.384295 0.856214 O\n0.858331 0.408455 0.366608 O\n0.391670 0.841542 0.883395 O\n0.841544 0.391668 0.883395 O\n0.865704 0.865702 0.393789 O\n0.865704 0.865702 0.874807 O\n",
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{
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"created_at": "2022-09-04T14:37:06.040425Z",
"updated_at": "2022-09-04T14:37:06.040449Z",
"structure_string": "Mn1 O2\n1.0\n1.439938 -2.494045 -0.000000\n1.439938 2.494045 0.000000\n-0.000000 -0.000000 4.449098\nMn O\n1 2\ndirect\n-0.000000 0.000000 1.000001 Mn\n0.333333 0.666668 0.214318 O\n0.666668 0.333333 0.785682 O\n",
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{
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"updated_at": "2022-09-04T14:37:54.847325Z",
"structure_string": "Mn3 Al1 N1\n1.0\n3.762420 0.000000 0.000000\n0.000000 3.762420 0.000000\n0.000000 -0.000000 3.762420\nMn Al N\n3 1 1\ndirect\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 N\n",
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{
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"created_at": "2022-09-04T14:38:11.993013Z",
"updated_at": "2022-09-04T14:38:11.993024Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n5.960968 -0.008541 -0.037031\n2.973087 5.166621 -0.037031\n2.947782 1.701904 4.813709\nMg Mn O\n2 4 8\ndirect\n0.125000 0.624999 0.625000 Mg\n0.625000 0.125000 0.625000 Mg\n0.991373 0.991372 0.008628 Mn\n0.258628 0.258627 0.241373 Mn\n0.625000 0.625000 0.125000 Mn\n0.625000 0.624999 0.625000 Mn\n0.397874 0.397873 0.366507 O\n0.399973 0.844055 0.377986 O\n0.397874 0.397873 0.837747 O\n0.844056 0.399972 0.377986 O\n0.405945 0.850027 0.872014 O\n0.850028 0.405944 0.872014 O\n0.852127 0.852126 0.412254 O\n0.852127 0.852126 0.883494 O\n",
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{
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"created_at": "2022-09-04T14:37:04.878266Z",
"updated_at": "2022-09-04T14:37:04.878284Z",
"structure_string": "Na2 H2 O2\n1.0\n0.000000 3.400030 0.068506\n3.397076 0.000000 0.000000\n0.000000 -1.472798 -5.563342\nNa H O\n2 2 2\ndirect\n0.330691 0.750001 0.178471 Na\n0.669308 0.250000 0.821528 Na\n0.033467 0.750001 0.586172 H\n0.966532 0.250000 0.413827 H\n0.852782 0.250000 0.238688 O\n0.147217 0.750001 0.761311 O\n",
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{
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"created_at": "2022-09-04T14:38:07.381445Z",
"updated_at": "2022-09-04T14:38:07.381475Z",
"structure_string": "V6 O8 F4\n1.0\n4.633074 -0.002343 -0.020676\n-0.002343 4.633074 -0.020676\n-0.043101 -0.043101 8.933290\nV O F\n6 8 4\ndirect\n0.987627 0.958461 0.013154 V\n0.041539 0.012373 0.320178 V\n0.013841 0.986159 0.666667 V\n0.513317 0.486683 0.166667 V\n0.490904 0.540181 0.820796 V\n0.459820 0.509097 0.512536 V\n0.805953 0.194047 0.166667 O\n0.696748 0.710022 0.665646 O\n0.693483 0.685184 0.996903 O\n0.289978 0.303252 0.667686 O\n0.190518 0.808470 0.835770 O\n0.191530 0.809482 0.497562 O\n0.212410 0.787590 0.166667 O\n0.314816 0.306517 0.336432 O\n0.791972 0.197095 0.836952 F\n0.296342 0.293702 0.995921 F\n0.706298 0.703658 0.337412 F\n0.802905 0.208028 0.496380 F\n",
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{
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"created_at": "2022-09-04T14:38:27.875661Z",
"updated_at": "2022-09-04T14:38:27.875679Z",
"structure_string": "Sm4 Al4 O12\n1.0\n5.331538 0.000000 0.000000\n-0.000000 5.314431 0.000000\n0.000000 0.000000 7.519397\nSm Al O\n4 4 12\ndirect\n0.468250 0.007674 0.250000 Sm\n0.031750 0.507674 0.750000 Sm\n0.968250 0.492326 0.250000 Sm\n0.531750 0.992326 0.750000 Sm\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.488387 0.430017 0.750000 O\n0.011613 0.930016 0.250000 O\n0.220676 0.278698 0.462564 O\n0.279324 0.778698 0.537436 O\n0.720676 0.221302 0.037436 O\n0.279324 0.778698 0.962564 O\n0.779324 0.721302 0.537436 O\n0.720676 0.221302 0.462564 O\n0.511614 0.569983 0.250000 O\n0.220676 0.278698 0.037436 O\n0.779324 0.721302 0.962564 O\n0.988387 0.069983 0.750000 O\n",
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{
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"structure_string": "Li1 P1 F6\n1.0\n4.270186 0.041026 2.742649\n1.518810 3.991163 2.742649\n0.058900 0.041025 5.074755\nLi P F\n1 1 6\ndirect\n0.500001 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 P\n0.332703 0.781369 0.108306 F\n0.108306 0.332701 0.781371 F\n0.781370 0.108306 0.332702 F\n0.891695 0.667298 0.218631 F\n0.218631 0.891693 0.667299 F\n0.667299 0.218630 0.891695 F\n",
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{
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"structure_string": "Ho4 V2 Fe2 O12\n1.0\n5.578820 0.000000 0.000000\n-0.000000 4.197939 2.974144\n-0.000000 0.003435 9.100418\nHo V Fe O\n4 2 2 12\ndirect\n0.575820 0.727371 0.749514 Ho\n0.075821 0.272631 0.750486 Ho\n0.424179 0.272630 0.250486 Ho\n0.924179 0.727370 0.249514 Ho\n0.000000 0.500000 -0.000000 V\n0.500000 0.500001 0.500000 V\n0.000000 0.000001 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.694469 0.242173 0.448326 O\n0.194470 0.757828 0.051674 O\n0.700062 0.633250 0.053334 O\n0.200063 0.366751 0.446665 O\n0.305530 0.757828 0.551674 O\n0.466527 0.143630 0.749471 O\n0.533473 0.856371 0.250529 O\n0.033473 0.143630 0.249471 O\n0.799937 0.633251 0.553334 O\n0.966527 0.856371 0.750529 O\n0.805530 0.242174 0.948326 O\n0.299937 0.366751 0.946665 O\n",
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}