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{
"id": "jvasp-100815",
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{
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{
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{
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"structure_string": "V10 Si6\n1.0\n3.570049 -6.183507 0.000000\n3.570049 6.183507 -0.000000\n-0.000000 0.000000 4.845394\nV Si\n10 6\ndirect\n0.243580 0.243580 0.749999 V\n0.756420 -0.000000 0.749999 V\n-0.000000 0.243581 0.250000 V\n0.333333 0.666667 0.500000 V\n-0.000000 0.756420 0.749999 V\n0.666667 0.333333 0.500000 V\n0.243581 -0.000000 0.250000 V\n0.333333 0.666667 0.000000 V\n0.756420 0.756420 0.250000 V\n0.666667 0.333333 0.000000 V\n0.394839 0.394839 0.250000 Si\n-0.000000 0.605162 0.250000 Si\n-0.000000 0.394839 0.749999 Si\n0.605162 -0.000000 0.250000 Si\n0.605162 0.605162 0.749999 Si\n0.394839 -0.000000 0.749999 Si\n",
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{
"id": "jvasp-41585",
"created_at": "2022-09-04T14:37:41.241880Z",
"updated_at": "2022-09-04T14:37:41.241900Z",
"structure_string": "V1 Si1 Tc2\n1.0\n0.000000 2.998537 2.998537\n2.998537 -0.000000 2.998537\n2.998537 2.998537 0.000000\nV Si Tc\n1 1 2\ndirect\n0.750001 0.750001 0.750001 V\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Tc\n0.500001 0.500001 0.500001 Tc\n",
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{
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"created_at": "2022-09-04T14:35:45.660884Z",
"updated_at": "2022-09-04T14:35:45.660903Z",
"structure_string": "Tc6 Pd2\n1.0\n5.532929 -0.000000 -0.000000\n-2.766464 4.791656 -0.000000\n-0.000000 0.000000 4.388054\nTc Pd\n6 2\ndirect\n0.841576 0.158426 0.750000 Tc\n0.316851 0.158426 0.750000 Tc\n0.841575 0.683150 0.750000 Tc\n0.158426 0.841574 0.249999 Tc\n0.683149 0.841574 0.249999 Tc\n0.158426 0.316851 0.249999 Tc\n0.666668 0.333333 0.249999 Pd\n0.333334 0.666668 0.750000 Pd\n",
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{
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"created_at": "2022-09-04T14:38:53.273738Z",
"updated_at": "2022-09-04T14:38:53.273760Z",
"structure_string": "B1 H1 N2\n1.0\n2.313686 -0.000000 0.000000\n0.000000 2.313686 0.000000\n0.000000 -0.000000 4.647130\nB H N\n1 1 2\ndirect\n0.500000 0.500000 0.535637 B\n0.000000 0.000000 0.197220 H\n0.000000 0.000000 0.420896 N\n0.500000 0.500000 0.856248 N\n",
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{
"id": "jvasp-23471",
"created_at": "2022-09-04T14:37:49.798047Z",
"updated_at": "2022-09-04T14:37:49.798074Z",
"structure_string": "U4 Sn2 Ru4\n1.0\n7.568108 0.000000 0.000000\n0.000000 7.568108 0.000000\n0.000000 -0.000000 3.491600\nU Sn Ru\n4 2 4\ndirect\n0.333421 0.833421 0.500000 U\n0.833421 0.666579 0.500000 U\n0.166579 0.333421 0.500000 U\n0.666579 0.166579 0.500000 U\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.363219 0.136781 0.000000 Ru\n0.863219 0.363219 0.000000 Ru\n0.136781 0.636781 0.000000 Ru\n0.636781 0.863219 0.000000 Ru\n",
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{
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"created_at": "2022-09-04T14:37:02.967353Z",
"updated_at": "2022-09-04T14:37:02.967386Z",
"structure_string": "H32 C16 O10\n1.0\n5.653373 0.000000 -0.456723\n0.000000 7.821754 0.000000\n0.081289 0.000000 9.950165\nH C O\n32 16 10\ndirect\n0.347101 0.126258 0.154452 H\n0.379641 0.193199 0.888228 H\n0.620359 0.693198 0.111773 H\n0.925197 0.511490 0.070439 H\n0.225511 0.765768 0.010208 H\n0.774489 0.265769 0.989793 H\n0.157082 0.986412 0.617624 H\n0.842918 0.486412 0.382376 H\n0.291406 0.936198 0.464167 H\n0.708594 0.436199 0.535834 H\n0.094914 0.788111 0.534404 H\n0.905086 0.288111 0.465596 H\n0.782938 0.868438 0.742574 H\n0.217062 0.368438 0.257427 H\n0.708927 -0.017146 0.591319 H\n0.291073 0.482854 0.408682 H\n0.074803 0.011490 0.929562 H\n0.431565 0.534158 0.259643 H\n0.652899 0.626258 0.845549 H\n0.552452 0.935145 0.004178 H\n0.447548 0.435145 0.995822 H\n0.568435 0.034159 0.740358 H\n0.007256 0.078465 0.144511 H\n0.992743 0.578464 0.855490 H\n0.075709 0.792846 0.237329 H\n0.727281 0.782630 0.385567 H\n0.272718 0.282630 0.614433 H\n0.853839 -0.008344 0.372250 H\n0.146161 0.491656 0.627751 H\n0.489709 0.195706 0.416698 H\n0.510290 0.695706 0.583302 H\n0.924291 0.292846 0.762672 H\n0.559952 0.302667 0.359352 C\n0.440048 0.802667 0.640648 C\n0.233193 0.883964 0.558764 C\n0.636582 0.928925 0.681695 C\n0.766807 0.383964 0.441237 C\n0.243563 0.388792 0.683166 C\n0.363418 0.428925 0.318305 C\n0.756437 0.888792 0.316834 C\n0.094834 0.472192 0.903888 C\n0.894564 0.827574 0.200062 C\n0.905165 0.972192 0.096112 C\n0.343448 0.538348 0.945607 C\n0.656551 0.038348 0.054394 C\n0.467035 0.591712 0.819703 C\n0.532965 0.091712 0.180298 C\n0.105435 0.327574 0.799938 C\n0.209387 0.174541 0.857952 O\n0.790612 0.674541 0.142049 O\n0.980356 0.411125 0.018612 O\n0.019644 0.911125 0.981389 O\n0.477075 0.447693 0.730220 O\n0.659319 0.173685 0.958269 O\n0.522924 0.947693 0.269781 O\n0.660467 0.229977 0.240323 O\n0.340680 0.673685 0.041732 O\n0.339533 0.729976 0.759678 O\n",
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{
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"created_at": "2022-09-04T14:37:17.401569Z",
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"structure_string": "Sm2 Mn12 P7\n1.0\n0.000000 9.332538 0.000552\n3.645639 0.000000 0.000000\n0.000000 -4.665617 -8.082270\nSm Mn P\n2 12 7\ndirect\n0.666664 0.500000 0.333332 Sm\n0.333332 0.000000 0.666667 Sm\n0.895228 0.500000 0.121921 Mn\n0.226690 0.500000 0.104770 Mn\n0.878082 0.500000 0.773309 Mn\n0.392951 0.500000 0.437165 Mn\n0.044212 0.500000 0.607048 Mn\n0.562837 0.500000 0.955788 Mn\n0.155159 0.000000 0.274699 Mn\n0.119539 0.000000 0.844838 Mn\n0.952133 0.000000 0.375542 Mn\n0.423408 0.000000 0.047868 Mn\n0.624459 0.000000 0.576594 Mn\n0.725305 0.000000 0.880463 Mn\n0.408273 0.000000 0.291825 P\n0.279756 0.500000 0.875619 P\n0.124381 0.500000 0.404137 P\n0.595863 0.500000 0.720245 P\n0.000001 0.000000 -0.000000 P\n0.883550 0.000000 0.591725 P\n0.708180 0.000000 0.116454 P\n",
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{
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"structure_string": "Cd1 H14 C9 O4\n1.0\n4.065714 0.112645 0.006373\n1.661212 4.600241 0.421554\n-0.196405 -0.084424 11.801700\nCd H C O\n1 14 9 4\ndirect\n0.081011 0.991636 0.166704 Cd\n0.152708 0.674753 0.628172 H\n0.584718 0.420846 0.754432 H\n0.899389 0.555706 0.802519 H\n0.625172 0.004419 0.660717 H\n0.181719 0.230868 0.672875 H\n0.014757 -0.002148 0.535911 H\n0.763248 0.533944 0.547470 H\n0.885331 0.171147 0.940510 H\n0.913491 0.594420 0.019503 H\n0.099707 0.871349 0.818425 H\n0.426147 0.005107 0.861060 H\n0.354953 0.336684 0.458788 H\n0.122187 0.682690 0.382386 H\n0.601651 0.859820 0.454870 H\n0.431675 0.398952 0.017416 C\n0.662108 0.381327 0.933594 C\n0.634358 0.553095 0.820175 C\n0.366304 0.866714 0.800479 C\n0.522993 0.692594 0.502020 C\n0.244636 0.840608 0.586259 C\n0.383823 0.533352 0.416423 C\n0.626080 0.445962 0.318484 C\n0.362233 -0.000626 0.678208 C\n0.127230 0.651850 0.023320 O\n0.598362 0.633332 0.234091 O\n0.860035 0.187132 0.326032 O\n0.480486 0.189615 0.100409 O\n",
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{
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"structure_string": "Cd1 H14 C9 O4\n1.0\n3.988001 0.054911 0.806480\n0.787536 4.336349 0.360532\n0.232934 0.308282 13.881708\nCd H C O\n1 14 9 4\ndirect\n0.187647 0.340570 0.171143 Cd\n0.663120 0.533267 0.612429 H\n0.116769 0.027602 0.883399 H\n0.736907 0.079721 0.837001 H\n0.480561 0.028462 0.702990 H\n0.091152 0.100157 0.661032 H\n0.272584 0.613635 0.571144 H\n0.846464 0.996069 0.517909 H\n-0.003237 0.514811 0.969414 H\n0.629461 0.558758 0.920609 H\n0.340662 0.534200 0.793340 H\n0.960059 0.591395 0.747561 H\n0.892292 0.509522 0.425021 H\n0.505276 0.696712 0.385126 H\n0.436356 0.128693 0.488548 H\n0.576506 0.853609 0.034451 C\n0.794364 0.692192 0.944946 C\n0.944322 0.902140 0.859169 C\n0.136775 0.715811 0.770545 C\n0.622650 0.919233 0.502618 C\n0.464309 0.724822 0.592058 C\n0.728780 0.733356 0.411250 C\n0.799365 0.134475 0.279016 C\n0.293205 0.912646 0.681881 C\n0.441932 0.137831 0.023147 O\n0.487880 0.233231 0.303142 O\n0.948459 0.881432 0.328703 O\n0.534173 0.699924 0.119084 O\n",
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