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{
"id": "jvasp-101965",
"created_at": "2022-09-04T14:36:59.406905Z",
"updated_at": "2022-09-04T14:36:59.406931Z",
"structure_string": "Cd1 H18 C11 O4\n1.0\n4.076932 -0.062235 -0.245048\n-1.131116 4.152269 -0.270901\n-0.220572 -0.026474 15.629449\nCd H C O\n1 18 11 4\ndirect\n0.673604 0.245222 0.146969 Cd\n0.694081 0.901790 0.544742 H\n0.557574 0.042704 0.407184 H\n0.632517 0.862870 0.889798 H\n0.776797 0.832086 0.694337 H\n0.377126 0.780034 0.735292 H\n0.099974 0.699567 0.588233 H\n0.046041 0.334975 0.525236 H\n0.636704 0.540039 0.479941 H\n0.047435 0.937752 0.855712 H\n0.157808 0.491767 0.936269 H\n0.726583 0.375465 0.962123 H\n0.878862 0.380095 0.776225 H\n0.469510 0.307247 0.812691 H\n0.569362 0.264845 0.620796 H\n0.179687 0.213454 0.666598 H\n0.191499 0.364260 0.362569 H\n0.909343 0.593874 0.339660 H\n0.166918 0.975684 0.453123 H\n0.040242 0.816483 0.029635 C\n0.938173 0.581749 0.949865 C\n0.828106 0.744670 0.871999 C\n0.684617 0.500378 0.794044 C\n0.560250 0.648808 0.715845 C\n0.351203 0.853962 0.430071 C\n0.238638 0.531987 0.564062 C\n0.500193 0.707177 0.505575 C\n0.182792 0.611804 0.352237 C\n0.338606 0.691889 0.267685 C\n0.387930 0.395337 0.641456 C\n0.301982 0.057589 0.028706 O\n0.242601 0.473049 0.203546 O\n0.558254 0.960631 0.264265 O\n0.854486 0.772336 0.093284 O\n",
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{
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"created_at": "2022-09-04T14:37:05.145751Z",
"updated_at": "2022-09-04T14:37:05.145771Z",
"structure_string": "Al4 Bi4 S4 Cl16\n1.0\n9.560944 -0.033282 -3.033233\n-5.129625 8.068440 -3.033231\n0.018356 0.033281 10.030544\nAl Bi S Cl\n4 4 4 16\ndirect\n0.976332 0.709229 0.124804 Al\n0.290771 0.415576 0.267104 Al\n0.584424 0.851528 0.875196 Al\n0.148472 0.023668 0.732896 Al\n0.932576 0.213301 0.406662 Bi\n0.474086 0.067424 0.280723 Bi\n0.806636 0.525914 0.593338 Bi\n0.786699 0.193363 0.719277 Bi\n0.566484 0.263615 0.585759 S\n0.677855 0.980726 0.414241 S\n0.019274 0.433515 0.697129 S\n0.736384 0.322145 0.302871 S\n0.589622 0.634055 0.777425 Cl\n0.085625 0.775398 0.582447 Cl\n0.187803 0.410378 0.044432 Cl\n0.365945 0.143371 0.955567 Cl\n0.192952 0.503179 0.417553 Cl\n0.496821 0.914375 0.689773 Cl\n0.920841 0.969098 0.744378 Cl\n0.224601 0.807048 0.310227 Cl\n0.224721 0.176464 0.255622 Cl\n0.196188 0.179780 0.621757 Cl\n0.558022 0.574432 0.378242 Cl\n0.030902 0.775279 0.951743 Cl\n0.820219 0.441977 0.016408 Cl\n0.425568 0.803812 0.983592 Cl\n0.823536 0.079159 0.048257 Cl\n0.856629 0.812197 0.222574 Cl\n",
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"spacegroup": 82
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{
"id": "jvasp-103909",
"created_at": "2022-09-04T14:36:59.404452Z",
"updated_at": "2022-09-04T14:36:59.404462Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n3.843174 0.252421 0.097928\n1.229012 4.364785 0.373578\n-0.705440 0.145444 8.480967\nZn H C O\n1 6 5 4\ndirect\n0.833778 0.840366 0.757269 Zn\n-0.099136 0.486251 0.375732 H\n0.357707 0.464774 0.431433 H\n0.154544 0.019022 0.216905 H\n0.006786 0.582719 0.093543 H\n0.608438 0.004910 0.273419 H\n0.465973 0.548147 0.138935 H\n0.214819 0.100660 0.541174 C\n0.186877 0.324030 0.396777 C\n0.321350 0.163609 0.248865 C\n0.287268 0.409884 0.111326 C\n0.394151 0.291805 0.953713 C\n-0.044982 0.174673 0.631933 O\n0.500497 0.850966 0.568060 O\n0.617525 0.010525 0.952799 O\n0.279147 0.476179 0.827048 O\n",
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],
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{
"id": "jvasp-107027",
"created_at": "2022-09-04T14:36:59.357208Z",
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"structure_string": "Ti1 Mn1 Ni4 Sn2\n1.0\n4.116209 0.000208 6.165130\n1.869119 3.667366 6.165130\n0.000339 0.000208 7.412963\nTi Mn Ni Sn\n1 1 4 2\ndirect\n0.500000 0.500001 0.499999 Ti\n0.000000 0.000000 0.000000 Mn\n0.623001 0.623002 0.623000 Ni\n0.126386 0.126386 0.126386 Ni\n0.873614 0.873616 0.873613 Ni\n0.376999 0.377000 0.376998 Ni\n0.251632 0.251633 0.251632 Sn\n0.748367 0.748369 0.748366 Sn\n",
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{
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"created_at": "2022-09-04T14:36:46.189291Z",
"updated_at": "2022-09-04T14:36:46.189325Z",
"structure_string": "Na4 Zn2 Ge2 O8\n1.0\n0.000000 5.377056 0.001544\n5.633292 0.000000 0.000000\n0.000000 -5.363630 -7.192734\nNa Zn Ge O\n4 2 2 8\ndirect\n0.511222 0.821263 0.003321 Na\n0.258556 0.320524 0.748163 Na\n0.511222 0.178737 0.503320 Na\n0.258556 0.679476 0.248163 Na\n0.997170 0.185699 0.998098 Zn\n0.997170 0.814300 0.498098 Zn\n0.745563 0.683744 0.750630 Ge\n0.745563 0.316256 0.250630 Ge\n0.390903 0.295526 0.226300 O\n0.390903 0.704474 0.726300 O\n0.676855 0.795545 0.542981 O\n0.676855 0.204454 0.042982 O\n0.037964 0.844604 0.955375 O\n0.855770 0.622126 0.275131 O\n0.855770 0.377873 0.775131 O\n0.037964 0.155396 0.455375 O\n",
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{
"id": "jvasp-32555",
"created_at": "2022-09-04T14:36:59.306492Z",
"updated_at": "2022-09-04T14:36:59.306528Z",
"structure_string": "B2 H18 C6 O6\n1.0\n6.937307 0.000000 -0.000000\n-3.468654 6.007883 0.000000\n0.000000 -0.000000 6.353983\nB H C O\n2 18 6 6\ndirect\n0.000000 0.000000 0.250000 B\n0.000000 0.000000 0.750000 B\n0.855867 0.573508 0.391659 H\n0.439433 0.511918 0.250000 H\n0.927515 0.439432 0.750000 H\n0.144134 0.426492 0.608341 H\n0.717642 0.144134 0.391659 H\n0.855867 0.573508 0.108341 H\n0.717642 0.144134 0.108341 H\n0.488082 0.927514 0.250000 H\n0.282359 0.855866 0.891658 H\n0.426492 0.282358 0.108341 H\n0.144134 0.426492 0.891658 H\n0.573508 0.717641 0.608341 H\n0.573508 0.717641 0.891658 H\n0.072486 0.560567 0.250000 H\n0.560568 0.488081 0.750000 H\n0.511919 0.072486 0.750000 H\n0.426492 0.282358 0.391659 H\n0.282359 0.855866 0.608341 H\n0.630493 0.669326 0.750000 C\n0.330674 0.961164 0.750000 C\n0.961166 0.630492 0.250000 C\n0.038835 0.369507 0.750000 C\n0.669327 0.038835 0.250000 C\n0.369507 0.330673 0.250000 C\n0.772309 0.903645 0.250000 O\n0.131336 0.227691 0.250000 O\n0.096355 0.868663 0.250000 O\n0.227691 0.096355 0.750000 O\n0.868664 0.772308 0.750000 O\n0.903646 0.131336 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:36:59.298920Z",
"updated_at": "2022-09-04T14:36:59.298931Z",
"structure_string": "Zn1 Ga1 P1 Se1\n1.0\n3.790388 0.003256 5.791300\n1.729141 3.373000 5.791300\n0.005323 0.003256 6.921428\nZn Ga P Se\n1 1 1 1\ndirect\n0.005437 0.005437 0.005437 Zn\n0.495720 0.495723 0.495721 Ga\n0.125638 0.125639 0.125639 P\n0.623201 0.623204 0.623202 Se\n",
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],
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{
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"created_at": "2022-09-04T14:36:59.241166Z",
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"structure_string": "Rb2 Hg1 Bi1 I6\n1.0\n7.535893 -0.000000 4.350850\n2.511964 7.104908 4.350850\n-0.000000 -0.000000 8.701700\nRb Hg Bi I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.750213 0.249787 0.249787 I\n0.249787 0.249787 0.750213 I\n0.249786 0.750213 0.750213 I\n0.249786 0.750213 0.249787 I\n0.750213 0.249787 0.750213 I\n0.750212 0.750213 0.249787 I\n",
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{
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"structure_string": "Sn1 Te1 Pb1 Se1\n1.0\n4.479903 0.000000 -0.000000\n0.000000 4.479903 0.000000\n0.000000 -0.000000 6.305529\nSn Te Pb Se\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Se\n",
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{
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"updated_at": "2022-09-04T14:36:59.413815Z",
"structure_string": "Mo1 W1 Se2 S2\n1.0\n3.256182 -0.000037 0.000804\n-1.628116 2.819934 -0.000348\n-0.003781 -0.000236 12.984440\nMo W Se S\n1 1 2 2\ndirect\n0.332939 0.666950 0.050994 Mo\n0.667058 0.333046 0.550873 W\n0.666248 0.333618 0.920159 Se\n0.666291 0.333617 0.181828 Se\n0.333747 0.666378 0.670566 S\n0.333707 0.666380 0.431182 S\n",
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{
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],
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{
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"created_at": "2022-09-04T14:36:46.210657Z",
"updated_at": "2022-09-04T14:36:46.210684Z",
"structure_string": "Ta2 Zn4 Cu2 O12\n1.0\n0.000000 5.350169 -0.020047\n7.436307 0.000000 0.000000\n0.000000 -1.095572 -5.470612\nTa Zn Cu O\n2 4 2 12\ndirect\n0.000000 0.000000 0.500000 Ta\n0.000000 0.500000 0.500000 Ta\n0.961353 0.750000 0.950513 Zn\n0.486803 0.750000 0.439586 Zn\n0.513198 0.250000 0.560414 Zn\n0.038648 0.250000 0.049487 Zn\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.822541 0.940142 0.160106 O\n0.369462 0.750000 0.070917 O\n0.177459 0.059859 0.839895 O\n0.713264 0.924869 0.650089 O\n0.286736 0.424869 0.349911 O\n0.713264 0.575132 0.650089 O\n0.286736 0.075132 0.349911 O\n0.822541 0.559859 0.160106 O\n0.630539 0.250000 0.929083 O\n0.177459 0.440141 0.839895 O\n0.856164 0.250000 0.459865 O\n0.143837 0.750000 0.540135 O\n",
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}
]
}