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{
"id": "jvasp-23090",
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{
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"structure_string": "H20 Pb1 C12 O4\n1.0\n3.838345 -0.200944 -0.361401\n-0.396977 4.922657 -0.378883\n0.398266 0.881922 15.875281\nH Pb C O\n20 1 12 4\ndirect\n0.495643 0.562487 0.402388 H\n0.891783 0.306019 0.487460 H\n0.160343 0.307341 0.929779 H\n0.580050 0.286963 0.978262 H\n0.377820 0.420868 0.781001 H\n0.815174 0.391778 0.815746 H\n0.595615 0.585239 0.633460 H\n0.037141 0.574712 0.668492 H\n0.797969 0.794982 0.492739 H\n0.241193 0.795116 0.527707 H\n-0.015361 0.046322 0.354543 H\n0.428161 0.041227 0.389054 H\n0.377331 0.800843 0.891527 H\n0.799209 0.749811 0.929371 H\n0.541034 0.915264 0.754094 H\n0.976986 0.893992 0.790031 H\n0.716580 0.091836 0.619142 H\n0.156626 0.084777 0.654706 H\n0.073417 0.556218 0.355286 H\n0.334045 0.306109 0.521991 H\n0.008817 0.935783 0.161144 Pb\n0.295231 0.566344 0.039167 C\n0.396355 0.431511 0.959194 C\n0.553125 0.642594 0.899115 C\n0.619433 0.535956 0.811368 C\n0.742886 0.775745 0.757126 C\n0.825940 0.705421 0.667239 C\n0.206767 0.159247 0.393279 C\n0.021383 0.916957 0.528489 C\n0.112659 0.185449 0.484859 C\n0.299690 0.440983 0.358235 C\n0.456372 0.459761 0.272931 C\n0.930753 -0.036227 0.619306 C\n0.072650 0.442373 0.084620 O\n0.507939 0.700215 0.244611 O\n0.536795 0.249096 0.236197 O\n0.430496 0.815528 0.056695 O\n",
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{
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"updated_at": "2022-09-04T14:36:58.723713Z",
"structure_string": "K2 Al1 Au1 Br6\n1.0\n6.513643 0.000000 3.760653\n2.171214 6.141122 3.760653\n-0.000000 0.000000 7.521307\nK Al Au Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n0.762534 0.237465 0.237465 Br\n0.237465 0.237465 0.762535 Br\n0.237465 0.762535 0.762535 Br\n0.237465 0.762535 0.237465 Br\n0.762534 0.237465 0.762535 Br\n0.762534 0.762535 0.237465 Br\n",
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{
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"structure_string": "K2 Rb1 Al1 Cl6\n1.0\n6.513856 -0.000000 3.760777\n2.171285 6.141323 3.760777\n-0.000000 -0.000000 7.521554\nK Rb Al Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.781258 0.218742 0.218742 Cl\n0.218743 0.218742 0.781258 Cl\n0.218743 0.781257 0.781258 Cl\n0.218743 0.781257 0.218742 Cl\n0.781258 0.218742 0.781258 Cl\n0.781259 0.781257 0.218742 Cl\n",
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{
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{
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"created_at": "2022-09-04T14:38:44.807140Z",
"updated_at": "2022-09-04T14:38:44.807170Z",
"structure_string": "Sc1 O1 F1\n1.0\n5.945106 -0.000000 0.000000\n0.000000 5.945106 -0.000000\n0.000000 0.000000 8.513698\nSc O F\n1 1 1\ndirect\n0.000000 0.000000 -0.001841 Sc\n0.000000 0.000000 0.796462 O\n0.000000 0.000000 0.230873 F\n",
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{
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"created_at": "2022-09-04T14:38:03.933697Z",
"updated_at": "2022-09-04T14:38:03.933717Z",
"structure_string": "C6 N6 Cl6\n1.0\n6.699167 0.027272 3.155423\n2.610993 6.169465 3.155423\n0.064854 0.043166 7.337303\nC N Cl\n6 6 6\ndirect\n0.845688 0.154312 0.249999 C\n0.492620 0.326245 0.262219 C\n0.507380 0.673755 0.737780 C\n0.673755 0.507380 0.237780 C\n0.154312 0.845688 0.750000 C\n0.326245 0.492620 0.762219 C\n0.332248 0.859064 0.738305 N\n0.667752 0.140936 0.261694 N\n0.859065 0.332248 0.238305 N\n0.140935 0.667752 0.761694 N\n0.485059 0.514941 0.250000 N\n0.514941 0.485059 0.749999 N\n0.077668 0.922331 0.250000 Cl\n0.922332 0.077668 0.749999 Cl\n0.323727 0.256079 0.778419 Cl\n0.743921 0.676272 0.721580 Cl\n0.676272 0.743920 0.221580 Cl\n0.256079 0.323728 0.278419 Cl\n",
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{
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"structure_string": "Er4 Si8 Mo6\n1.0\n6.905470 -0.000000 0.000000\n-0.000000 6.364881 2.190405\n0.000000 0.004895 6.848115\nEr Si Mo\n4 8 6\ndirect\n0.670163 0.439185 0.190644 Er\n0.170164 0.060816 0.809356 Er\n0.329836 0.560816 0.809356 Er\n0.829836 0.939185 0.190643 Er\n0.632157 0.628988 0.503846 Si\n0.132157 0.871013 0.496154 Si\n0.367843 0.371013 0.496154 Si\n0.867843 0.128988 0.503846 Si\n0.544096 0.865737 0.910605 Si\n0.955904 0.365737 0.910606 Si\n0.455904 0.134264 0.089394 Si\n0.044096 0.634264 0.089394 Si\n0.837249 0.748824 0.751526 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.162751 0.251176 0.248473 Mo\n0.662751 0.248824 0.751527 Mo\n0.337249 0.751176 0.248473 Mo\n",
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{
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{
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{
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"created_at": "2022-09-04T14:36:51.502815Z",
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{
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