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{
"id": "jvasp-112678",
"created_at": "2022-09-04T14:38:41.707106Z",
"updated_at": "2022-09-04T14:38:41.707133Z",
"structure_string": "In5 Cu1 Te8\n1.0\n7.666641 -0.023791 -0.001626\n-2.555036 7.228398 -0.001626\n-0.009077 -0.012793 8.830190\nIn Cu Te\n5 1 8\ndirect\n0.510413 0.489587 -0.000000 In\n0.990682 0.009318 0.500000 In\n0.501058 0.498942 0.500000 In\n0.511089 0.010792 0.242117 In\n0.989208 0.488912 0.757882 In\n0.998038 0.001962 -0.000000 Cu\n0.898928 0.642115 0.026242 Te\n0.387949 0.106925 0.531280 Te\n0.357885 0.101073 0.973757 Te\n0.893075 0.612052 0.468719 Te\n0.839457 0.098849 0.768388 Te\n0.332321 0.611257 0.247430 Te\n0.901151 0.160542 0.231611 Te\n0.388743 0.667680 0.752570 Te\n",
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{
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"structure_string": "Mn1 Cd1 Cu4 Sn2 Se8\n1.0\n6.467969 -0.009862 2.917236\n3.836337 5.207421 2.917236\n0.003775 0.001904 11.686806\nMn Cd Cu Sn Se\n1 1 4 2 8\ndirect\n0.998897 0.001104 0.000000 Mn\n0.001863 -0.001862 0.500000 Cd\n0.749532 0.747343 0.879134 Cu\n0.749502 0.753711 0.370814 Cu\n0.252657 0.250470 0.120867 Cu\n0.246289 0.250499 0.629187 Cu\n0.501155 0.500464 0.753605 Sn\n0.499536 0.498846 0.246395 Sn\n0.605861 0.111578 0.699927 Se\n0.622466 0.105963 0.185616 Se\n0.104179 0.627618 0.947004 Se\n0.113471 0.600234 0.443848 Se\n0.372382 0.895822 0.052996 Se\n0.399767 0.886530 0.556153 Se\n0.888422 0.394140 0.300074 Se\n0.894038 0.377534 0.814384 Se\n",
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{
"id": "jvasp-116206",
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"updated_at": "2022-09-04T14:38:41.844693Z",
"structure_string": "In2 H2\n1.0\n5.199987 -1.161943 0.572215\n1.679842 -4.630355 -0.514462\n-2.328236 -0.199885 -4.447707\nIn H\n2 2\ndirect\n0.759008 0.985107 0.827764 In\n0.255829 0.854765 0.695045 In\n0.637322 0.371013 0.968917 H\n0.130242 0.712145 0.310682 H\n",
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{
"id": "jvasp-112220",
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"updated_at": "2022-09-04T14:38:42.130521Z",
"structure_string": "H8 Pb1 C6 S1 O4\n1.0\n4.288427 0.037627 0.319547\n2.096558 4.632684 0.142486\n-0.091975 0.042321 10.161175\nH Pb C S O\n8 1 6 1 4\ndirect\n0.094630 0.616348 0.307750 H\n0.743430 0.599694 0.401963 H\n0.514731 0.196201 0.425300 H\n0.266963 0.496484 0.528357 H\n0.691825 0.197582 0.732994 H\n0.642020 0.497338 0.629642 H\n0.062031 0.600434 0.756275 H\n0.694087 0.617096 0.850360 H\n0.734801 0.932494 0.079155 Pb\n0.153905 0.260495 0.898288 C\n0.933050 0.467017 0.796696 C\n0.823249 0.325692 0.689580 C\n0.989921 0.259829 0.260102 C\n0.005238 0.466282 0.361557 C\n0.255947 0.324905 0.468698 C\n0.164383 0.074441 0.579359 S\n0.156257 0.010328 0.915105 O\n0.236847 0.009744 0.243300 O\n0.331845 0.349375 0.966654 O\n0.723274 0.348761 0.191789 O\n",
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{
"id": "jvasp-113077",
"created_at": "2022-09-04T14:38:42.151358Z",
"updated_at": "2022-09-04T14:38:42.151375Z",
"structure_string": "Na4 Al3 Si3 Cl1 O12\n1.0\n6.300551 -0.019019 4.411558\n0.002271 6.300580 4.411558\n-0.013340 -0.013295 8.834682\nNa Al Si Cl O\n4 3 3 1 12\ndirect\n0.644945 -0.001002 0.347825 Na\n0.348140 -0.003875 0.003985 Na\n0.003875 0.651860 -0.003984 Na\n0.001002 0.355055 0.652175 Na\n0.748674 0.251326 0.500000 Al\n0.249000 0.252149 0.258594 Al\n0.747851 0.751000 0.741406 Al\n0.491086 0.488272 0.758695 Si\n0.253626 0.746374 0.500000 Si\n0.511728 0.508914 0.241305 Si\n0.999646 0.000353 0.000000 Cl\n0.997689 0.290755 0.435137 O\n0.710271 0.448358 0.280211 O\n0.289403 0.423055 0.997061 O\n0.012004 0.698174 0.698380 O\n0.551642 0.289729 0.719789 O\n0.709245 0.002311 0.564863 O\n0.301826 0.987996 0.301621 O\n0.414976 0.696342 0.588044 O\n0.436058 0.303296 0.284260 O\n0.696704 0.563942 0.715740 O\n0.576945 0.710597 0.002939 O\n0.303658 0.585024 0.411957 O\n",
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"density_atomic": 0.06544257246998021,
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{
"id": "jvasp-112841",
"created_at": "2022-09-04T14:38:42.912553Z",
"updated_at": "2022-09-04T14:38:42.912572Z",
"structure_string": "V4 O5 F7\n1.0\n5.128565 -0.000000 0.000000\n2.564283 4.362503 1.327261\n0.000000 0.031349 8.645751\nV O F\n4 5 7\ndirect\n0.722266 0.522549 0.243536 V\n0.494813 0.977450 0.506464 V\n0.288363 0.495794 0.739507 V\n0.034156 0.004206 0.010493 V\n0.966010 0.239589 0.125563 O\n0.545105 0.750000 0.375000 O\n0.420588 0.749063 0.077436 O\n0.419650 0.750937 0.672564 O\n0.455599 0.260411 0.624437 O\n0.926208 0.760038 0.576303 F\n0.936246 0.739961 0.173697 F\n0.568426 0.253378 0.324587 F\n0.568132 0.244016 0.930212 F\n0.020490 0.750000 0.875000 F\n0.062148 0.255984 0.819788 F\n0.071803 0.246622 0.425413 F\n",
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{
"id": "jvasp-116541",
"created_at": "2022-09-04T14:38:43.223994Z",
"updated_at": "2022-09-04T14:38:43.224021Z",
"structure_string": "Ho1 H9 C5 N2 O8\n1.0\n6.399039 0.092026 1.782611\n2.449456 5.912389 1.782611\n0.125725 0.085315 6.516054\nHo H C N O\n1 9 5 2 8\ndirect\n0.095247 0.904753 -0.000000 Ho\n0.890629 0.553032 0.399258 H\n0.446968 0.109371 0.600741 H\n0.596414 0.655019 0.526198 H\n0.344981 0.403586 0.473801 H\n0.644847 0.378448 0.822436 H\n0.621552 0.355153 0.177563 H\n0.656207 0.712279 0.109362 H\n0.287721 0.343792 0.890637 H\n0.008282 0.991719 0.500000 H\n0.164177 0.835824 0.500000 C\n0.159867 0.364592 0.043877 C\n0.635408 0.840133 0.956122 C\n0.620241 0.200143 0.297676 C\n0.799857 0.379759 0.702323 C\n0.761540 0.543251 0.529216 N\n0.456749 0.238460 0.470783 N\n0.994496 0.234431 0.733752 O\n0.765569 0.005504 0.266248 O\n0.244476 0.745062 0.331014 O\n0.254939 0.755524 0.668985 O\n0.459925 0.891043 0.877814 O\n0.108957 0.540075 0.122185 O\n0.075463 0.216916 0.130160 O\n0.783084 0.924537 0.869839 O\n",
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{
"id": "jvasp-112668",
"created_at": "2022-09-04T14:38:43.191355Z",
"updated_at": "2022-09-04T14:38:43.191381Z",
"structure_string": "Li4 Co1 Te1 O6\n1.0\n5.106866 0.002294 0.911144\n-2.762661 4.295090 0.911144\n-0.000811 -0.001486 5.141744\nLi Co Te O\n4 1 1 6\ndirect\n0.825427 0.174572 0.499999 Li\n0.173703 0.826296 0.499999 Li\n0.501565 0.498434 0.499999 Li\n0.666044 0.333956 -0.000001 Li\n0.334814 0.665186 -0.000001 Co\n-0.000441 0.000441 -0.000000 Te\n0.084057 0.393334 0.763287 O\n0.386356 0.071204 0.762569 O\n0.928795 0.613643 0.237430 O\n0.606666 0.915942 0.236711 O\n0.230589 0.237572 0.227259 O\n0.762428 0.769410 0.772739 O\n",
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{
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"created_at": "2022-09-04T14:38:43.441912Z",
"updated_at": "2022-09-04T14:38:43.441930Z",
"structure_string": "Ti1 H2 C2 O6\n1.0\n4.411506 0.047577 1.967591\n1.334529 4.668161 2.811450\n0.137724 0.131865 5.606368\nTi H C O\n1 2 2 6\ndirect\n0.476893 0.238163 0.013433 Ti\n0.002412 0.672661 0.039018 H\n0.948981 0.212086 0.577420 H\n0.565502 0.791207 0.554846 C\n0.388020 0.696898 0.460514 C\n0.093047 0.465755 0.153744 O\n0.859813 0.097956 0.785066 O\n0.627687 0.036163 0.372395 O\n0.631193 0.624095 0.793618 O\n0.325995 0.879238 0.215494 O\n0.322265 0.458171 0.627628 O\n",
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{
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"structure_string": "Cd1 H6 C5 O4\n1.0\n4.140147 -0.000645 -0.000155\n-2.069610 4.468909 -1.078181\n0.000212 -0.568755 8.065015\nCd H C O\n1 6 5 4\ndirect\n0.016795 0.494192 0.237074 Cd\n0.712220 0.372428 0.549327 H\n0.638756 0.107251 0.668134 H\n0.377650 0.610982 0.667527 H\n0.833977 0.615914 0.924800 H\n0.260779 0.377303 0.806597 H\n0.025712 0.881060 0.805974 H\n0.953210 0.067031 0.458533 C\n0.836238 0.255833 0.604555 C\n0.162227 0.494148 0.737060 C\n0.074600 0.732486 0.869560 C\n0.380415 0.921302 0.015574 C\n0.137944 0.188360 0.350689 O\n0.873940 0.791089 0.453638 O\n0.577138 0.197223 0.020446 O\n0.443792 0.799994 0.123433 O\n",
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"created_at": "2022-09-04T14:38:44.049419Z",
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"structure_string": "H14 C6 O5\n1.0\n6.174766 -0.037485 -1.648376\n1.951018 5.858554 -1.648376\n0.240013 0.171938 5.002592\nH C O\n14 6 5\ndirect\n0.211251 0.014405 0.666616 H\n0.316439 0.591561 0.109893 H\n0.240617 0.312998 0.293481 H\n0.687003 0.759383 0.706517 H\n0.024105 0.813116 0.814072 H\n0.186884 0.975894 0.185926 H\n0.521357 0.278787 0.673803 H\n0.408439 0.683562 0.890105 H\n0.688481 0.090255 0.110717 H\n0.909746 0.311520 0.889281 H\n0.562253 0.958483 0.279793 H\n0.041517 0.437748 0.720205 H\n0.985596 0.788749 0.333382 H\n0.721214 0.478644 0.326196 H\n0.552432 0.298660 0.472977 C\n0.701341 0.447568 0.527021 C\n0.668931 0.066746 0.314126 C\n0.933255 0.331070 0.685873 C\n0.053146 0.098318 0.536400 C\n0.901683 0.946854 0.463598 C\n0.589692 0.661850 0.683148 O\n0.283264 0.716736 -0.000001 O\n0.107964 0.128614 0.284522 O\n0.871387 0.892037 0.715476 O\n0.338150 0.410308 0.316851 O\n",
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{
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"created_at": "2022-09-04T14:38:44.470708Z",
"updated_at": "2022-09-04T14:38:44.470733Z",
"structure_string": "La4 U2 Te10\n1.0\n10.000007 -0.026066 0.120403\n8.033670 5.954911 0.120403\n0.001799 0.000591 8.971282\nLa U Te\n4 2 10\ndirect\n0.254106 0.249022 0.269158 La\n0.595808 0.581031 0.260899 La\n0.750979 0.745894 0.730841 La\n0.418969 0.404192 0.739100 La\n0.899896 0.935983 0.262929 U\n0.064017 0.100105 0.737070 U\n0.248375 0.241805 0.638361 Te\n0.921867 0.915240 0.628694 Te\n0.571354 0.593788 0.638820 Te\n0.758196 0.751625 0.361638 Te\n0.406212 0.428646 0.361179 Te\n0.084759 0.078133 0.371305 Te\n0.585251 0.050468 0.003083 Te\n0.242900 0.757100 -0.000000 Te\n0.949532 0.414749 0.996916 Te\n0.747796 0.252205 -0.000000 Te\n",
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"elements": [
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]
}