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{
"id": "jvasp-103910",
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"structure_string": "Zn1 H6 C5 O4\n1.0\n4.607267 -0.225306 -1.100287\n-1.919357 4.137696 -0.078208\n-0.381842 0.172862 8.069545\nZn H C O\n1 6 5 4\ndirect\n0.108885 0.444704 0.244551 Zn\n0.607601 0.845693 0.601621 H\n0.609489 0.170758 0.719807 H\n0.068374 0.450568 0.638371 H\n0.261717 0.362930 0.930628 H\n0.062725 0.761585 0.761375 H\n0.629001 0.572669 0.868300 H\n0.252380 -0.000989 0.468627 C\n0.449216 0.937015 0.635952 C\n0.227469 0.677684 0.728337 C\n0.424447 0.597140 0.893935 C\n0.568719 0.865827 0.043459 C\n0.017486 0.758760 0.359025 O\n0.331705 0.301188 0.446831 O\n0.822517 0.133955 0.037476 O\n0.440976 0.834566 0.165332 O\n",
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{
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"structure_string": "Cr1 Si1 Ru2\n1.0\n-0.000000 2.964196 2.964196\n2.964196 0.000000 2.964196\n2.964196 2.964196 0.000000\nCr Si Ru\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Cr\n0.750000 0.750000 0.750000 Si\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 Ru\n",
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{
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"structure_string": "Mn3 V1 P4\n1.0\n3.189277 0.000000 0.000000\n0.000000 5.326674 0.018406\n0.000000 -0.001591 5.930935\nMn V P\n3 1 4\ndirect\n0.500001 0.002258 0.196337 Mn\n0.000000 0.495221 0.693182 Mn\n0.000000 0.994365 0.802858 Mn\n0.500001 0.507301 0.305070 V\n0.500001 0.695036 0.924315 P\n0.500001 0.191951 0.577301 P\n0.000000 0.299158 0.066534 P\n0.000000 0.814709 0.434409 P\n",
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{
"id": "jvasp-103912",
"created_at": "2022-09-04T14:36:57.409405Z",
"updated_at": "2022-09-04T14:36:57.409427Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n4.280764 -0.123613 1.291945\n1.916527 4.427707 0.703533\n0.275042 -0.286408 7.687239\nZn H C O\n1 6 5 4\ndirect\n0.273351 0.056650 0.268616 Zn\n0.350215 0.627632 0.664533 H\n0.088348 0.616856 0.537173 H\n0.227301 0.182075 0.852054 H\n0.889983 0.701619 0.971430 H\n0.946439 0.217116 0.725901 H\n0.629500 0.764225 0.832172 H\n0.562049 0.257211 0.483031 C\n0.260247 0.479514 0.617199 C\n0.058506 0.340765 0.777717 C\n0.780291 0.587969 0.908974 C\n0.529099 0.492666 0.062053 C\n0.830601 0.318438 0.419192 O\n0.544211 0.022401 0.437427 O\n0.531320 0.231762 0.054126 O\n0.315453 0.671214 0.193691 O\n",
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{
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"updated_at": "2022-09-04T14:38:42.708643Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n4.400509 0.021239 0.531141\n2.052486 4.374434 0.467124\n0.127107 0.108510 7.429993\nZn H C O\n1 6 5 4\ndirect\n0.024048 -0.001278 0.258615 Zn\n0.576095 0.283490 0.577711 H\n0.872132 0.262060 0.718364 H\n0.208417 0.820083 0.650335 H\n0.007398 0.730738 0.953392 H\n0.510631 0.833761 0.776406 H\n0.231820 0.350889 0.879423 H\n0.872753 0.522237 0.470165 C\n0.682623 0.422420 0.629134 C\n0.409647 0.680957 0.737163 C\n0.257012 0.555887 0.909217 C\n0.485491 0.471677 0.059647 C\n0.082780 0.325537 0.361162 O\n0.825267 0.802370 0.456284 O\n0.454192 0.671815 0.166970 O\n0.723003 0.199892 0.063968 O\n",
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{
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"structure_string": "Zn1 H6 C5 O4\n1.0\n4.404517 -0.019162 -0.533651\n-2.055420 4.372238 0.478473\n-0.125195 0.093724 7.428652\nZn H C O\n1 6 5 4\ndirect\n0.033732 0.742275 0.268011 Zn\n0.241986 0.390210 0.647170 H\n0.017490 0.010250 0.573317 H\n0.520138 0.907111 0.750352 H\n0.881971 0.478928 0.808146 H\n0.218463 0.921081 0.876503 H\n0.586437 0.457746 0.948895 H\n0.495269 0.269303 0.466970 C\n0.266996 0.185136 0.617446 C\n0.419515 0.060078 0.789570 C\n0.692607 0.318668 0.897490 C\n0.882586 0.218803 0.056482 C\n0.732832 0.541074 0.462669 O\n0.463780 0.069159 0.359625 O\n0.835205 0.938679 0.070284 O\n0.092399 0.415431 0.165573 O\n",
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{
"id": "jvasp-57859",
"created_at": "2022-09-04T14:38:27.468636Z",
"updated_at": "2022-09-04T14:38:27.468658Z",
"structure_string": "Ba1 Mo6 S8\n1.0\n6.692558 -0.033295 0.044660\n0.212413 6.689772 0.037156\n0.134860 0.136755 6.691047\nBa Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.565885 0.416932 0.235765 Mo\n0.434115 0.583066 0.764236 Mo\n0.416944 0.235756 0.565847 Mo\n0.583056 0.764242 0.434154 Mo\n0.235812 0.565839 0.416965 Mo\n0.764188 0.434160 0.583036 Mo\n0.251986 0.251859 0.251925 S\n0.748014 0.748140 0.748076 S\n0.391597 0.736367 0.122675 S\n0.608403 0.263631 0.877326 S\n0.736421 0.122631 0.391556 S\n0.263579 0.877367 0.608445 S\n0.122631 0.391602 0.736402 S\n0.877369 0.608397 0.263599 S\n",
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"formula_full": "Ba1 Mo6 S8",
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{
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"created_at": "2022-09-04T14:36:07.777686Z",
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"structure_string": "Ba1 Mo6 S8\n1.0\n6.691086 0.013752 0.164597\n0.160935 6.689164 0.164597\n0.014058 0.013752 6.693096\nBa Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.434145 0.764232 0.583056 Mo\n0.764233 0.583054 0.434146 Mo\n0.583055 0.434145 0.764234 Mo\n0.565855 0.235767 0.416945 Mo\n0.235767 0.416944 0.565855 Mo\n0.416945 0.565854 0.235768 Mo\n0.748086 0.748085 0.748087 S\n0.251914 0.251914 0.251915 S\n0.608412 0.877350 0.263604 S\n0.877351 0.263603 0.608413 S\n0.263603 0.608412 0.877352 S\n0.391588 0.122649 0.736397 S\n0.122649 0.736396 0.391588 S\n0.736397 0.391587 0.122650 S\n",
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{
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"structure_string": "V1 W2 O8\n1.0\n4.866843 0.003641 0.114325\n-1.295792 4.956113 -0.036382\n-0.017386 -2.336990 5.991852\nV W O\n1 2 8\ndirect\n0.975161 0.100152 0.223981 V\n0.712179 0.631668 0.417530 W\n0.237477 0.567808 0.028722 W\n0.619841 0.843191 0.667840 O\n0.848856 0.358495 0.478201 O\n0.606341 0.815725 0.188951 O\n0.882770 0.326180 0.067215 O\n0.101294 0.840496 0.968078 O\n0.330011 0.356346 0.778512 O\n0.343463 0.383203 0.257483 O\n0.067554 0.873349 0.379122 O\n",
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{
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"structure_string": "Ba2 C4 S4 N4\n1.0\n6.179946 0.027562 0.240697\n2.335749 5.721606 0.240697\n0.067762 0.045748 8.377307\nBa C S N\n2 4 4 4\ndirect\n0.900875 0.099125 0.750001 Ba\n0.099125 0.900875 0.250000 Ba\n0.753830 0.492835 0.100701 C\n0.492835 0.753830 0.600701 C\n0.246170 0.507166 0.899300 C\n0.507166 0.246170 0.399300 C\n0.345381 0.239439 0.838998 S\n0.760562 0.654619 0.661004 S\n0.654619 0.760562 0.161003 S\n0.239438 0.345382 0.338997 S\n0.827874 0.297250 0.057032 N\n0.297250 0.827874 0.557032 N\n0.702750 0.172127 0.442969 N\n0.172127 0.702751 0.942969 N\n",
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{
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"structure_string": "Be2 Re1 Os1\n1.0\n-2.049455 2.049455 2.902042\n2.049455 -2.049455 2.902042\n2.049455 2.049455 -2.902042\nBe Re Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Re\n0.500000 0.500000 0.000000 Os\n",
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},
{
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"updated_at": "2022-09-04T14:38:45.726717Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.686930 0.008144 -0.492205\n-1.391092 4.939094 -1.370923\n0.162343 0.011080 9.036416\nCd H C O\n1 6 5 4\ndirect\n0.730786 0.141760 0.402726 Cd\n0.282972 0.095006 0.801757 H\n0.295257 0.381934 0.590736 H\n0.301371 0.651437 0.843263 H\n0.796392 0.969917 0.723238 H\n0.820137 0.520814 0.774098 H\n0.963441 0.001179 0.920933 H\n0.234983 0.685206 0.490732 C\n0.153203 0.542298 0.596252 C\n0.071113 0.659321 0.757660 C\n0.752237 0.488928 0.067531 C\n0.025261 0.947594 0.802479 C\n0.336400 0.572564 0.349812 O\n0.237369 0.933608 0.500747 O\n0.754099 0.710079 0.119920 O\n0.251517 0.274138 0.297266 O\n",
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]
}