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{
"id": "jvasp-112216",
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"updated_at": "2022-09-04T14:38:43.801163Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.895679 -0.029548 -0.468594\n-0.485041 4.629219 -0.501600\n-0.096905 -0.371969 17.442470\nCd H C O\n1 20 12 4\ndirect\n0.234795 0.276480 0.141151 Cd\n0.066053 0.731214 0.457523 H\n0.046023 0.124211 0.363051 H\n0.779170 0.640235 0.997571 H\n0.067975 0.958685 0.870678 H\n0.942168 0.526485 0.787963 H\n0.620185 0.403872 0.643096 H\n0.222360 0.464091 0.675578 H\n0.325065 0.258955 0.501067 H\n0.927772 0.331377 0.532016 H\n0.687082 0.134350 0.031778 H\n0.640833 0.185166 0.388153 H\n0.398207 0.346469 0.889868 H\n0.176820 0.058234 0.977571 H\n0.679603 0.008278 0.727542 H\n0.289199 0.075985 0.762751 H\n0.382364 0.883842 0.591407 H\n-0.017349 0.948560 0.621945 H\n0.835091 0.634886 0.295167 H\n0.245992 0.694042 0.370279 H\n0.670500 0.823588 0.481881 H\n0.031993 0.909925 0.928664 C\n0.817353 0.681150 0.938624 C\n0.624463 0.470474 0.875137 C\n0.709212 0.410087 0.802997 C\n0.513913 0.181313 0.740853 C\n0.394546 0.295458 0.664233 C\n0.815063 0.015616 0.381845 C\n0.096799 0.158432 0.523024 C\n0.907043 0.913462 0.461286 C\n0.646209 0.773924 0.315946 C\n0.494048 0.903049 0.244108 C\n0.210251 0.054255 0.600871 C\n0.394584 0.577688 0.341877 O\n0.251753 0.758178 0.194031 O\n0.614829 0.159009 0.237800 O\n0.714682 0.270226 0.080013 O\n",
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{
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"structure_string": "Y1 Ge1 S1\n1.0\n3.493799 -0.000000 0.000000\n-0.000000 3.493799 -0.000000\n0.000000 -0.000000 7.460064\nY Ge S\n1 1 1\ndirect\n0.000000 0.000000 0.630551 Y\n0.000000 0.000000 0.010017 Ge\n0.000000 0.000000 0.296055 S\n",
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{
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"created_at": "2022-09-04T14:38:43.787109Z",
"updated_at": "2022-09-04T14:38:43.787138Z",
"structure_string": "Ca2 Mn4 O8\n1.0\n5.155022 0.009772 0.000000\n-4.244317 2.925769 0.000000\n-0.000000 -0.000000 9.784211\nCa Mn O\n2 4 8\ndirect\n0.608773 0.391226 0.750000 Ca\n0.391226 0.608773 0.250000 Ca\n0.134454 0.865546 0.068112 Mn\n0.865545 0.134454 0.931888 Mn\n0.134454 0.865546 0.431888 Mn\n0.865545 0.134454 0.568112 Mn\n0.771916 0.228083 0.393614 O\n0.228083 0.771916 0.606386 O\n0.228083 0.771916 0.893614 O\n0.771916 0.228083 0.106386 O\n0.063638 0.936361 0.250000 O\n0.936360 0.063638 0.750000 O\n0.499999 0.500000 -0.000000 O\n0.499999 0.500000 0.500000 O\n",
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{
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"updated_at": "2022-09-04T14:38:43.786075Z",
"structure_string": "Tb4 La2 Ru2 O14\n1.0\n6.475670 -0.003843 0.000000\n-2.244694 6.074180 0.000000\n-0.000000 -0.000000 7.517636\nTb La Ru O\n4 2 2 14\ndirect\n0.521014 0.075312 0.250000 Tb\n0.924688 0.478986 0.750000 Tb\n0.478987 0.924688 0.750000 Tb\n0.075313 0.521014 0.250000 Tb\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Ru\n0.500000 0.500000 -0.000000 Ru\n0.884685 0.163837 0.250000 O\n0.836164 0.115316 0.750000 O\n0.115316 0.836164 0.750000 O\n0.163837 0.884685 0.250000 O\n0.184869 0.444184 0.961109 O\n0.555816 0.815131 0.038892 O\n0.444185 0.184869 0.961109 O\n0.555816 0.815131 0.461109 O\n0.815132 0.555816 0.038892 O\n0.410617 0.410617 0.250000 O\n0.815132 0.555816 0.461109 O\n0.444185 0.184869 0.538892 O\n0.184869 0.444184 0.538892 O\n0.589384 0.589384 0.750000 O\n",
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{
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"structure_string": "Pb2 S2\n1.0\n7.084387 -1.497015 0.692146\n3.497652 -6.168429 1.792722\n0.855816 2.399816 -3.393363\nPb S\n2 2\ndirect\n0.978109 -0.021941 0.011880 Pb\n0.478108 0.978115 0.511884 Pb\n0.477962 0.478334 0.011947 S\n-0.021949 0.478254 0.512165 S\n",
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{
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"updated_at": "2022-09-04T14:38:43.781155Z",
"structure_string": "Ba4 S4 O16\n1.0\n5.488576 0.000000 0.000000\n0.000000 7.187315 0.000000\n-0.000000 0.000000 8.871858\nBa S O\n4 4 16\ndirect\n0.749893 0.908501 0.316346 Ba\n0.250107 0.408501 0.183654 Ba\n0.750108 0.091499 0.816346 Ba\n0.249893 0.591500 0.683654 Ba\n0.750134 0.439720 0.435687 S\n0.249866 0.939720 0.064313 S\n0.749867 0.560281 0.935687 S\n0.250134 0.060281 0.564313 S\n0.470729 0.061608 0.080322 O\n0.529271 0.561609 0.419678 O\n0.970836 0.561759 0.419555 O\n0.029164 0.061759 0.080445 O\n0.529165 0.438242 0.919555 O\n0.470836 0.938242 0.580446 O\n0.250142 0.198977 0.689077 O\n0.250326 0.148213 0.414004 O\n0.249858 0.801024 0.189077 O\n0.750143 0.301024 0.310923 O\n0.970730 0.438392 0.919678 O\n0.749675 0.648214 0.085996 O\n0.249674 0.851787 0.914004 O\n0.750326 0.351787 0.585996 O\n0.749858 0.698977 0.810923 O\n0.029271 0.938392 0.580323 O\n",
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{
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{
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"structure_string": "Ca6 Mn2 Co2 O12\n1.0\n6.319990 -0.016608 -0.231706\n-0.246115 6.348508 -0.236927\n-0.016924 -0.017507 6.323961\nCa Mn Co O\n6 2 2 12\ndirect\n0.884778 0.249954 0.615200 Ca\n0.612603 0.887735 0.246429 Ca\n0.253630 0.612276 0.887408 Ca\n0.115202 0.750021 0.384783 Ca\n0.387427 0.112259 0.753595 Ca\n0.746396 0.387711 0.112614 Ca\n0.499958 0.500024 0.500011 Mn\n0.000013 0.000028 0.999964 Mn\n0.756860 0.749880 0.743277 Co\n0.243228 0.249992 0.256796 Co\n0.911136 0.713023 0.042279 O\n0.209627 0.417892 0.544214 O\n0.418536 0.549480 0.213419 O\n0.542317 0.213056 0.411146 O\n0.581416 0.450490 0.786606 O\n0.955756 0.082142 0.290317 O\n0.790328 0.582197 0.455826 O\n0.088837 0.286979 0.957695 O\n0.286585 0.950521 0.081477 O\n0.044280 0.917951 0.709635 O\n0.457661 0.786949 0.588836 O\n0.713444 0.049455 0.918478 O\n",
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