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{
"id": "jvasp-112116",
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"updated_at": "2022-09-04T14:38:43.064525Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n4.057142 0.196317 0.482377\n1.391549 4.532208 -0.212011\n-0.359528 0.282863 12.759564\nCd H C O\n1 14 9 4\ndirect\n0.493375 0.269030 0.177079 Cd\n0.121124 0.652768 0.537090 H\n0.260485 0.043001 0.841627 H\n0.857174 0.029099 0.897390 H\n0.054587 0.100713 0.660082 H\n0.644127 0.095093 0.713163 H\n0.715554 0.643794 0.592821 H\n0.825645 0.163162 0.472490 H\n0.547240 0.506455 0.899244 H\n0.145418 0.531245 0.966147 H\n0.338303 0.586484 0.721805 H\n0.928025 0.580241 0.774823 H\n0.518932 0.671814 0.421798 H\n0.366528 0.026968 0.367743 H\n0.426463 0.167046 0.538173 H\n0.394635 0.810359 0.033451 C\n0.301533 0.668195 0.937745 C\n0.115941 0.888694 0.859903 C\n0.078276 0.731278 0.757435 C\n0.675134 0.017624 0.497162 C\n0.863660 0.795962 0.574527 C\n0.589758 0.866703 0.399147 C\n0.891021 0.764317 0.312803 C\n0.903804 0.950084 0.677342 C\n0.280156 0.096073 0.045966 O\n0.102350 0.496460 0.313415 O\n0.932704 0.945114 0.244971 O\n0.591643 0.648358 0.096336 O\n",
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"structure_string": "Si8 O16\n1.0\n5.748884 0.070715 0.000000\n-0.529226 5.724909 0.000000\n0.000000 0.000000 11.345948\nSi O\n8 16\ndirect\n0.510968 0.383115 0.871046 Si\n0.616884 0.489031 0.371046 Si\n0.989031 0.116884 0.871046 Si\n0.010968 0.883116 0.128954 Si\n0.883115 0.010967 0.371046 Si\n0.489031 0.616884 0.128954 Si\n0.116884 0.989032 0.628954 Si\n0.383115 0.510968 0.628954 Si\n0.250000 0.250000 0.637540 O\n0.749999 0.749999 0.362460 O\n0.458862 0.458863 0.250000 O\n0.000000 0.000000 0.000000 O\n0.499999 0.500000 0.000000 O\n0.041137 0.041137 0.250000 O\n0.749999 0.749999 0.137540 O\n0.499999 0.500000 0.500000 O\n0.749999 0.249999 0.373278 O\n0.958862 0.958862 0.750000 O\n0.249999 0.750000 0.626723 O\n0.250000 0.250000 0.862460 O\n0.749999 0.249999 0.873278 O\n0.541136 0.541137 0.750000 O\n0.249999 0.750000 0.126723 O\n0.000000 0.000000 0.500000 O\n",
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"spacegroup": 68
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{
"id": "jvasp-103918",
"created_at": "2022-09-04T14:36:40.889347Z",
"updated_at": "2022-09-04T14:36:40.889378Z",
"structure_string": "Zn1 H8 C6 O4\n1.0\n4.022180 -0.029251 0.630223\n1.945798 4.049325 0.650372\n-0.230859 -0.229248 9.914951\nZn H C O\n1 8 6 4\ndirect\n0.243229 0.085911 0.213176 Zn\n0.588322 0.225457 0.362519 H\n0.080216 0.240197 0.543389 H\n0.457847 0.748575 0.641383 H\n0.885724 0.300946 0.791176 H\n0.372108 0.777598 0.908183 H\n0.639241 -0.005479 0.890385 H\n0.736422 0.959713 0.627903 H\n0.173168 0.500147 0.778822 H\n0.806469 0.590001 0.036610 C\n0.658854 0.743888 0.901070 C\n0.884202 0.545587 0.779454 C\n0.101769 0.618190 0.409462 C\n0.985620 0.504827 0.528047 C\n0.744753 0.712283 0.641544 C\n0.027092 0.284396 0.041772 O\n0.001641 0.929690 0.365347 O\n0.364220 0.390345 0.316606 O\n0.724425 0.756354 0.141415 O\n",
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{
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"created_at": "2022-09-04T14:38:55.508046Z",
"updated_at": "2022-09-04T14:38:55.508073Z",
"structure_string": "Mg1 B1\n1.0\n1.496642 -2.592262 0.000000\n1.496642 2.592262 0.000000\n-0.000000 0.000000 3.519037\nMg B\n1 1\ndirect\n0.333333 0.666666 0.250000 Mg\n0.666666 0.333333 0.750001 B\n",
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{
"id": "jvasp-111603",
"created_at": "2022-09-04T14:38:37.094854Z",
"updated_at": "2022-09-04T14:38:37.094876Z",
"structure_string": "Mg8 Si4\n1.0\n4.204488 -0.000000 0.000000\n-0.000000 7.053916 0.000000\n0.000000 0.000000 8.040913\nMg Si\n8 4\ndirect\n0.250000 0.032577 0.836075 Mg\n0.250000 0.532578 0.663925 Mg\n0.750000 0.967423 0.163925 Mg\n0.750000 0.467423 0.336075 Mg\n0.250000 0.139019 0.439146 Mg\n0.250000 0.639019 0.060854 Mg\n0.750000 0.860981 0.560853 Mg\n0.750000 0.360981 0.939146 Mg\n0.250000 0.253301 0.125792 Si\n0.250000 0.753301 0.374208 Si\n0.750000 0.746700 0.874208 Si\n0.750000 0.246700 0.625791 Si\n",
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{
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"created_at": "2022-09-04T14:37:32.657347Z",
"updated_at": "2022-09-04T14:37:32.657361Z",
"structure_string": "C3 N1\n1.0\n3.388232 0.000000 0.000000\n0.000000 3.388232 0.000000\n-0.000000 0.000000 3.388232\nC N\n3 1\ndirect\n0.000000 0.000000 0.500000 C\n0.000000 0.500000 0.000000 C\n0.500000 0.000000 0.000000 C\n0.000000 0.000000 0.000000 N\n",
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{
"id": "jvasp-114348",
"created_at": "2022-09-04T14:38:40.799882Z",
"updated_at": "2022-09-04T14:38:40.799890Z",
"structure_string": "Mg3 N1\n1.0\n4.197398 0.363250 -0.665749\n2.615148 -5.601776 -0.214735\n-0.263439 -1.854677 -2.657191\nMg N\n3 1\ndirect\n0.131218 0.061018 0.004471 Mg\n0.487533 0.348423 0.225366 Mg\n0.843824 0.635948 0.446179 Mg\n-0.012461 0.348469 0.225351 N\n",
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{
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"created_at": "2022-09-04T14:36:20.380894Z",
"updated_at": "2022-09-04T14:36:20.380924Z",
"structure_string": "Sr1 Mg5\n1.0\n3.425372 0.000000 0.000000\n-1.712686 2.966459 -0.000000\n0.000000 -0.000000 15.997440\nSr Mg\n1 5\ndirect\n0.666666 0.333333 0.000000 Sr\n0.000000 0.000000 0.812429 Mg\n0.666666 0.333333 0.655776 Mg\n0.000000 0.000000 0.500000 Mg\n0.666666 0.333333 0.344224 Mg\n0.000000 0.000000 0.187571 Mg\n",
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{
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"structure_string": "S4 Cl8 O4\n1.0\n0.000000 7.457349 0.067364\n5.765047 0.000000 0.000000\n0.000000 -1.425550 -8.614460\nS Cl O\n4 8 4\ndirect\n0.238126 0.059673 0.838139 S\n0.261874 0.559673 0.161861 S\n0.761874 0.940328 0.161862 S\n0.738126 0.440328 0.838139 S\n0.262955 0.214201 0.623281 Cl\n0.237045 0.714201 0.376719 Cl\n0.737045 0.785799 0.376720 Cl\n0.762955 0.285799 0.623281 Cl\n0.083979 0.766052 0.744776 Cl\n0.416021 0.266052 0.255224 Cl\n0.916022 0.233949 0.255225 Cl\n0.583979 0.733949 0.744776 Cl\n0.118727 0.204879 0.911507 O\n0.381274 0.704880 0.088493 O\n0.881274 0.795121 0.088493 O\n0.618727 0.295121 0.911507 O\n",
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{
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"structure_string": "S2 Cl4 O4\n1.0\n5.379066 0.000000 1.890781\n2.689533 5.037359 0.945390\n0.267928 0.000000 7.834594\nS Cl O\n2 4 4\ndirect\n0.249643 0.500000 0.500000 S\n-0.000357 -0.000000 0.000000 S\n0.377788 0.784618 0.411682 Cl\n0.039471 0.284618 0.088318 Cl\n0.412407 0.715382 0.911682 Cl\n0.574089 0.215382 0.588317 Cl\n-0.000257 0.601571 0.655941 O\n0.905687 0.101571 0.844058 O\n0.257257 0.398429 0.344058 O\n0.851315 0.898429 0.155941 O\n",
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]
}