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{
"id": "jvasp-29905",
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"structure_string": "B6 C20 N6\n1.0\n5.010760 0.000000 0.000000\n0.000000 6.675301 -0.000000\n0.000000 -0.000000 8.664307\nB C N\n6 20 6\ndirect\n0.500000 0.250000 0.343600 B\n0.500000 0.750000 0.656400 B\n0.500000 0.750000 0.995625 B\n0.000000 0.250000 0.507364 B\n0.500000 0.250000 0.004375 B\n0.000000 0.750000 0.492637 B\n0.759077 0.250000 0.088908 C\n0.000000 0.750000 0.163210 C\n0.759024 0.250000 0.252698 C\n0.500000 0.250000 0.835991 C\n0.240976 0.750000 0.747303 C\n0.000000 0.750000 0.666482 C\n0.240923 0.250000 0.088908 C\n0.500000 0.750000 0.164010 C\n0.254815 0.750000 0.404676 C\n0.254815 0.250000 0.595324 C\n0.745185 0.250000 0.595324 C\n0.240923 0.750000 0.911093 C\n0.000000 0.250000 0.836790 C\n0.000000 0.250000 0.333518 C\n0.240976 0.250000 0.252698 C\n0.000000 0.750000 0.996399 C\n0.759024 0.750000 0.747303 C\n0.759077 0.750000 0.911093 C\n0.000000 0.250000 0.003601 C\n0.745185 0.750000 0.404676 C\n0.748626 0.750000 0.245850 N\n0.500000 0.750000 0.481613 N\n0.500000 0.250000 0.518388 N\n0.251374 0.250000 0.754150 N\n0.251374 0.750000 0.245850 N\n0.748626 0.250000 0.754150 N\n",
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"structure_string": "Li3 Zn1\n1.0\n0.000000 3.178680 3.178680\n3.178680 -0.000000 3.178680\n3.178680 3.178680 -0.000000\nLi Zn\n3 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.499999 0.499999 Li\n0.250001 0.250001 0.250001 Li\n0.750000 0.750000 0.750000 Zn\n",
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{
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"created_at": "2022-09-04T14:38:45.813416Z",
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"structure_string": "Cd1 H14 C9 O4\n1.0\n4.019901 0.110565 0.402712\n0.895008 4.249393 0.273169\n-0.085899 0.083105 13.094470\nCd H C O\n1 14 9 4\ndirect\n0.960363 0.093518 0.813894 Cd\n0.548927 0.171730 0.451171 H\n0.224701 0.769371 0.169128 H\n0.661677 0.718288 0.126766 H\n0.403143 0.715105 0.362869 H\n0.832440 0.666244 0.313927 H\n0.970108 0.116009 0.395295 H\n0.030929 0.591384 0.489706 H\n0.207748 0.271967 0.084499 H\n0.645560 0.206396 0.046651 H\n0.358022 0.243746 0.268261 H\n0.790333 0.186311 0.222931 H\n0.403944 0.819866 0.547618 H\n0.402274 0.461027 0.619053 H\n0.011441 0.244826 0.565270 H\n0.325087 0.570972 0.961015 C\n0.415006 0.394601 0.062229 C\n0.461366 0.589461 0.150586 C\n0.560537 0.371320 0.245060 C\n0.859995 0.437161 0.518287 C\n0.750461 0.297731 0.425972 C\n0.565220 0.619682 0.588556 C\n0.675341 0.743007 0.681683 C\n0.632968 0.535628 0.337405 C\n0.110337 0.841502 0.963044 O\n0.936344 0.588205 0.725935 O\n0.510644 0.013307 0.714537 O\n0.450052 0.438584 0.877841 O\n",
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{
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"created_at": "2022-09-04T14:38:41.826504Z",
"updated_at": "2022-09-04T14:38:41.826529Z",
"structure_string": "H1 C1 N1 O1\n1.0\n3.295876 0.000000 -0.877171\n0.000000 2.410179 0.000000\n-0.155816 0.000000 4.076745\nH C N O\n1 1 1 1\ndirect\n0.195733 0.000000 0.166954 H\n0.579067 0.500000 0.564964 C\n0.421213 0.000000 0.400488 N\n0.848047 0.500000 0.841633 O\n",
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{
"id": "jvasp-106415",
"created_at": "2022-09-04T14:36:56.483714Z",
"updated_at": "2022-09-04T14:36:56.483734Z",
"structure_string": "K3 Nd1 Cl6\n1.0\n6.872496 -0.000000 3.967838\n2.290832 6.479452 3.967838\n-0.000000 -0.000000 7.935675\nK Nd Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 K\n0.000000 0.000000 0.000000 Nd\n0.758654 0.241346 0.241347 Cl\n0.241346 0.241346 0.758654 Cl\n0.241346 0.758653 0.758654 Cl\n0.241346 0.758653 0.241347 Cl\n0.758654 0.241346 0.758654 Cl\n0.758654 0.758653 0.241347 Cl\n",
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{
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"created_at": "2022-09-04T14:36:18.120465Z",
"updated_at": "2022-09-04T14:36:18.120496Z",
"structure_string": "O4\n1.0\n4.063635 0.000000 0.000000\n0.000000 2.856864 1.094166\n0.000000 0.053617 4.128333\nO\n4\ndirect\n0.315119 0.330051 0.339594 O\n0.315119 0.169949 0.660406 O\n0.684882 0.669948 0.660407 O\n0.684882 0.830051 0.339594 O\n",
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{
"id": "jvasp-58833",
"created_at": "2022-09-04T14:37:32.079237Z",
"updated_at": "2022-09-04T14:37:32.079251Z",
"structure_string": "S8 Cl16\n1.0\n4.000067 0.000000 0.000000\n0.000000 9.089453 0.000000\n0.000000 0.000000 16.884043\nS Cl\n8 16\ndirect\n0.238756 0.301468 0.308193 S\n0.738757 0.198532 0.691807 S\n0.761244 0.801468 0.191807 S\n0.261244 0.698531 0.808192 S\n0.629576 0.288925 0.144196 S\n0.129576 0.211075 0.855804 S\n0.370424 0.788925 0.355804 S\n0.870425 0.711075 0.644196 S\n0.926939 0.368418 0.926388 Cl\n0.426939 0.131582 0.073611 Cl\n0.025412 0.521861 0.590543 Cl\n0.525412 0.978139 0.409457 Cl\n0.974589 0.021861 0.909457 Cl\n0.474589 0.478139 0.090543 Cl\n0.440440 0.502009 0.765641 Cl\n0.470574 0.706427 0.920463 Cl\n0.559560 0.002009 0.734359 Cl\n0.059560 0.497991 0.265641 Cl\n0.573062 0.631582 0.426389 Cl\n-0.029427 0.793573 0.079537 Cl\n0.529427 0.206427 0.579537 Cl\n0.029427 0.293573 0.420463 Cl\n0.940441 0.997991 0.234359 Cl\n0.073061 0.868417 0.573611 Cl\n",
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{
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"created_at": "2022-09-04T14:35:52.414348Z",
"updated_at": "2022-09-04T14:35:52.414368Z",
"structure_string": "Sr2 Mg4\n1.0\n3.813370 0.000000 0.000000\n-1.906684 3.302475 -0.000000\n-0.000000 -0.000000 16.122612\nSr Mg\n2 4\ndirect\n0.666668 0.333333 0.750000 Sr\n0.333334 0.666668 0.250000 Sr\n0.333334 0.666668 0.928363 Mg\n0.333334 0.666668 0.571637 Mg\n0.666668 0.333333 0.428363 Mg\n0.666668 0.333333 0.071637 Mg\n",
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{
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"created_at": "2022-09-04T14:36:53.143724Z",
"updated_at": "2022-09-04T14:36:53.143735Z",
"structure_string": "Ti2 P4 S12\n1.0\n6.672968 -0.070113 -1.234195\n-2.785063 6.064392 -1.234195\n-0.065457 -0.100920 11.226196\nTi P S\n2 4 12\ndirect\n0.600351 0.100351 0.200701 Ti\n0.850351 0.850351 0.700700 Ti\n0.638267 0.512082 0.376619 P\n0.738353 0.864538 0.376619 P\n0.614538 0.988353 0.876619 P\n0.262082 0.888267 0.876619 P\n0.668188 0.709671 0.856970 S\n0.188783 0.147299 0.856970 S\n0.985228 0.030284 0.543766 S\n0.558539 0.513483 0.543766 S\n0.780283 0.235228 0.043766 S\n0.375757 0.308141 0.224793 S\n0.849037 0.916651 0.224793 S\n0.666651 0.099037 0.724793 S\n0.058141 0.625757 0.724793 S\n0.459671 0.918187 0.356970 S\n0.897300 0.438783 0.356970 S\n0.263483 0.808538 0.043766 S\n",
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{
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"structure_string": "S8 Cl16\n1.0\n3.999935 0.000000 0.000000\n0.000000 9.090188 0.000000\n0.000000 0.000000 16.884987\nS Cl\n8 16\ndirect\n0.239044 0.301735 0.308156 S\n0.739045 0.198265 0.691844 S\n0.760957 0.801736 0.191844 S\n0.260956 0.698265 0.808156 S\n0.629617 0.289174 0.144136 S\n0.129616 0.210826 0.855864 S\n0.370385 0.789174 0.355864 S\n0.870385 0.710826 0.644136 S\n0.926872 0.368229 0.926376 Cl\n0.426871 0.131771 0.073624 Cl\n0.025715 0.521674 0.590496 Cl\n0.525715 0.978326 0.409504 Cl\n0.974287 0.021674 0.909504 Cl\n0.474286 0.478326 0.090496 Cl\n0.440289 0.501777 0.765611 Cl\n0.470051 0.706156 0.920447 Cl\n0.559713 0.001777 0.734389 Cl\n0.059712 0.498223 0.265611 Cl\n0.573130 0.631771 0.426376 Cl\n-0.029950 0.793844 0.079554 Cl\n0.529950 0.206156 0.579554 Cl\n0.029950 0.293844 0.420447 Cl\n0.940289 0.998223 0.234389 Cl\n0.073129 0.868229 0.573624 Cl\n",
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{
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"structure_string": "Na1 O3\n1.0\n3.202801 0.000000 1.437223\n1.488206 3.874915 0.970861\n0.011238 -0.074533 4.262231\nNa O\n1 3\ndirect\n0.519993 0.480008 0.480007 Na\n0.906899 0.880737 0.305467 O\n0.041813 0.958190 0.958187 O\n0.906898 0.305469 0.880734 O\n",
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},
{
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"created_at": "2022-09-04T14:38:40.175038Z",
"updated_at": "2022-09-04T14:38:40.175076Z",
"structure_string": "Al1 B3\n1.0\n5.255265 0.215781 -0.045885\n-2.619109 -3.172140 -0.272102\n0.822767 -0.436942 -2.802066\nAl B\n1 3\ndirect\n0.078284 0.797327 0.404836 Al\n0.868619 0.943195 0.009733 B\n0.613246 0.060088 0.137480 B\n0.787105 0.052802 0.550544 B\n",
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}
]
}