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"results": [
{
"id": "jvasp-86206",
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"structure_string": "H6 Au2 C4 N2 Cl2\n1.0\n4.030959 0.000000 -0.233969\n0.000000 6.188351 0.000000\n0.009198 0.000000 9.061895\nH Au C N Cl\n6 2 4 2 2\ndirect\n0.718098 0.560570 0.126506 H\n0.363801 0.707011 0.049794 H\n0.280992 0.352451 0.873413 H\n0.281903 0.060570 0.873493 H\n0.636200 0.207011 0.950205 H\n0.719008 0.852451 0.126586 H\n0.139026 0.706879 0.584781 Au\n0.860975 0.206879 0.415219 Au\n0.677050 0.206871 0.606073 C\n0.322951 0.706870 0.393927 C\n0.434568 0.206707 0.863198 C\n0.565433 0.706707 0.136801 C\n0.430085 0.706815 0.277345 N\n0.569916 0.206815 0.722654 N\n0.079070 0.206788 0.187080 Cl\n0.920930 0.706788 0.812919 Cl\n",
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{
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"structure_string": "Cu2 S4\n1.0\n3.278522 1.056793 1.298732\n-2.810147 3.582920 4.218089\n-0.789730 -2.491141 4.202583\nCu S\n2 4\ndirect\n0.535993 0.958108 0.291912 Cu\n0.035953 0.458092 0.791882 Cu\n0.534766 0.381998 0.140796 S\n0.034794 0.881997 0.640808 S\n0.537212 0.534228 0.443215 S\n0.037237 0.034225 0.943226 S\n",
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{
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"updated_at": "2022-09-04T14:35:56.287271Z",
"structure_string": "Ge4 S4\n1.0\n3.689719 -0.000000 0.000000\n0.000000 4.378765 0.000000\n0.000000 0.000000 10.715452\nGe S\n4 4\ndirect\n0.250000 0.365176 0.875639 Ge\n0.750000 0.634823 0.124361 Ge\n0.750000 0.865175 0.624361 Ge\n0.250000 0.134823 0.375639 Ge\n0.250000 0.495241 0.651057 S\n0.750000 0.504758 0.348942 S\n0.750000 -0.004758 0.848942 S\n0.250000 0.004758 0.151057 S\n",
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},
{
"id": "jvasp-102365",
"created_at": "2022-09-04T14:36:59.545411Z",
"updated_at": "2022-09-04T14:36:59.545442Z",
"structure_string": "K2 Na1 Au1 Br6\n1.0\n6.658800 -0.000000 3.844460\n2.219600 6.277977 3.844460\n-0.000000 -0.000000 7.688920\nK Na Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.756801 0.243199 0.243199 Br\n0.243199 0.243199 0.756801 Br\n0.243199 0.756801 0.756801 Br\n0.243199 0.756801 0.243199 Br\n0.756801 0.243199 0.756801 Br\n0.756801 0.756801 0.243199 Br\n",
"nsites": 10,
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"formula_full": "K2 Na1 Au1 Br6",
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{
"id": "jvasp-43844",
"created_at": "2022-09-04T14:35:50.991346Z",
"updated_at": "2022-09-04T14:35:50.991368Z",
"structure_string": "Li4 Ti3 V5 O16\n1.0\n5.841251 -0.007233 0.020136\n-2.914424 5.063171 0.014540\n-0.033337 -0.101711 9.539438\nLi Ti V O\n4 3 5 16\ndirect\n0.330511 0.661025 0.105128 Li\n0.005198 0.010484 0.006589 Li\n0.001681 0.003307 0.502152 Li\n0.664933 0.329910 0.604913 Li\n0.164258 0.822954 0.782858 Ti\n0.658631 0.823027 0.782824 Ti\n0.830001 0.659980 0.279222 Ti\n0.346408 0.165526 0.290064 V\n0.819126 0.165513 0.290070 V\n0.661856 0.323746 0.012250 V\n0.169784 0.339594 0.790529 V\n0.329003 0.658017 0.508722 V\n0.335188 0.173639 0.899867 O\n0.671461 0.342902 0.402764 O\n0.959917 0.479610 0.159068 O\n0.519691 0.479614 0.159068 O\n0.166719 0.333425 0.398131 O\n0.837337 0.674737 0.900130 O\n0.481323 0.517968 0.659364 O\n0.480201 0.960458 0.661140 O\n0.665082 0.834708 0.400592 O\n0.001794 0.003582 0.191091 O\n-0.000782 -0.001531 0.686859 O\n0.338984 0.678002 0.900154 O\n0.516741 0.033482 0.158808 O\n0.169643 0.834706 0.400585 O\n0.036603 0.517961 0.659366 O\n0.838412 0.173660 0.899858 O\n",
"nsites": 28,
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],
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{
"id": "jvasp-86808",
"created_at": "2022-09-04T14:36:17.601771Z",
"updated_at": "2022-09-04T14:36:17.601789Z",
"structure_string": "H6 Au2 C4 N2 Cl2\n1.0\n4.033339 0.000000 -0.234807\n0.000000 6.187904 0.000000\n0.007253 0.000000 9.058915\nH Au C N Cl\n6 2 4 2 2\ndirect\n0.718625 0.560900 0.126745 H\n0.363893 0.706597 0.049848 H\n0.281795 0.352798 0.873335 H\n0.281375 0.060901 0.873255 H\n0.636107 0.206597 0.950152 H\n0.718205 0.852797 0.126665 H\n0.138933 0.706757 0.584916 Au\n0.861067 0.206758 0.415084 Au\n0.677090 0.206757 0.605934 C\n0.322909 0.706757 0.394066 C\n0.434616 0.206763 0.863073 C\n0.565383 0.706763 0.136927 C\n0.430056 0.706756 0.277481 N\n0.569943 0.206756 0.722519 N\n0.079239 0.206760 0.186961 Cl\n0.920760 0.706759 0.813039 Cl\n",
"nsites": 16,
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],
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"density_atomic": 0.07076447067230043,
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"formula_full": "H6 Au2 C4 N2 Cl2",
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},
{
"id": "jvasp-62513",
"created_at": "2022-09-04T14:35:48.193379Z",
"updated_at": "2022-09-04T14:35:48.193414Z",
"structure_string": "H6 Au2 C4 N2 Cl2\n1.0\n0.000000 4.039934 0.074966\n6.189252 0.000000 0.000000\n0.000000 -0.353904 -9.049563\nH Au C N Cl\n6 2 4 2 2\ndirect\n0.718728 0.647319 0.126651 H\n0.281272 0.147319 0.873348 H\n0.364206 0.793168 0.049680 H\n0.635794 0.293168 0.950319 H\n0.718666 0.939146 0.126586 H\n0.281334 0.439146 0.873413 H\n0.138984 0.793270 0.584827 Au\n0.861016 0.293270 0.415172 Au\n0.323082 0.793292 0.393976 C\n0.676918 0.293293 0.606023 C\n0.565659 0.793225 0.136823 C\n0.434340 0.293225 0.863177 C\n0.430302 0.793275 0.277389 N\n0.569698 0.293275 0.722610 N\n0.920712 0.793212 0.812966 Cl\n0.079288 0.293212 0.187034 Cl\n",
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},
{
"id": "jvasp-100647",
"created_at": "2022-09-04T14:36:40.913884Z",
"updated_at": "2022-09-04T14:36:40.913912Z",
"structure_string": "Na1 Pr2 Cl6\n1.0\n7.926981 0.000000 0.000000\n-3.963491 6.864967 0.000000\n0.000000 0.000000 3.931630\nNa Pr Cl\n1 2 6\ndirect\n0.000000 0.000000 0.500000 Na\n0.666667 0.333333 0.748679 Pr\n0.333333 0.666667 0.251320 Pr\n0.076172 0.698763 0.750835 Cl\n0.301237 0.377408 0.750835 Cl\n0.622592 0.923829 0.750835 Cl\n0.923829 0.301237 0.249165 Cl\n0.698763 0.622592 0.249165 Cl\n0.377408 0.076171 0.249165 Cl\n",
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"density_atomic": 0.04206526197978656,
"volume": 213.95326158493276,
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},
{
"id": "jvasp-7789",
"created_at": "2022-09-04T14:37:17.011132Z",
"updated_at": "2022-09-04T14:37:17.011167Z",
"structure_string": "Rb2 O1\n1.0\n4.140647 -0.000000 2.390604\n1.380216 3.903840 2.390604\n0.000000 -0.000000 4.781208\nRb O\n2 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 O\n",
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{
"id": "jvasp-60219",
"created_at": "2022-09-04T14:37:55.874961Z",
"updated_at": "2022-09-04T14:37:55.874981Z",
"structure_string": "V4 Zn6 Si8 O28\n1.0\n7.100097 -0.000000 3.023274\n2.440784 8.364854 4.116722\n0.336227 0.225688 9.059231\nV Zn Si O\n4 6 8 28\ndirect\n0.193884 0.250000 0.750000 V\n0.806116 0.750000 0.250000 V\n0.000000 0.000000 0.000000 V\n-0.000000 0.500000 0.500000 V\n0.938824 0.902645 0.441342 Zn\n0.282812 0.597354 0.058657 Zn\n0.717188 0.402646 0.941342 Zn\n0.604180 0.250000 0.749999 Zn\n0.061176 0.097355 0.558657 Zn\n0.395821 0.750000 0.250000 Zn\n0.526078 0.710269 0.653970 Si\n0.232360 0.599029 0.642198 Si\n0.109684 0.210269 0.153970 Si\n0.526412 0.099029 0.142198 Si\n0.473589 0.900971 0.857801 Si\n0.890317 0.789731 0.846029 Si\n0.473923 0.289731 0.346029 Si\n0.767640 0.400971 0.357801 Si\n0.063286 0.175559 0.016632 O\n0.101760 0.064698 0.342418 O\n0.642708 0.266649 0.425905 O\n0.508874 0.435302 0.157581 O\n0.664738 0.766649 0.925905 O\n0.881717 0.917344 0.247181 O\n0.491126 0.564698 0.842418 O\n0.458238 0.089763 0.806594 O\n0.898240 0.935302 0.657581 O\n0.645406 0.589763 0.306594 O\n0.335263 0.233351 0.074094 O\n0.490558 0.875420 0.684521 O\n0.711439 0.164391 0.967631 O\n0.744523 0.675559 0.516631 O\n0.255477 0.324441 0.483368 O\n0.953758 0.417345 0.747181 O\n0.357292 0.733351 0.574094 O\n0.050500 0.624580 0.815479 O\n0.936714 0.824441 0.983367 O\n0.354595 0.410237 0.693405 O\n0.949501 0.375420 0.184521 O\n0.288561 0.835608 0.032368 O\n0.118284 0.082656 0.752818 O\n0.541762 0.910236 0.193405 O\n0.046243 0.582655 0.252818 O\n0.156537 0.664391 0.467632 O\n0.509443 0.124580 0.315479 O\n0.843465 0.335609 0.532367 O\n",
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{
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"created_at": "2022-09-04T14:35:44.939919Z",
"updated_at": "2022-09-04T14:35:44.939944Z",
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},
{
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"updated_at": "2022-09-04T14:37:09.865652Z",
"structure_string": "Fe4 P16\n1.0\n5.093430 0.000000 0.104248\n2.546715 5.230942 0.052125\n0.006318 0.000000 11.157040\nFe P\n4 16\ndirect\n0.923605 0.152791 0.750000 Fe\n0.076397 0.847209 0.250000 Fe\n0.000001 0.500000 0.500000 Fe\n0.500001 0.500000 -0.000000 Fe\n0.866910 0.187000 0.549908 P\n0.933104 0.535567 0.293046 P\n0.227307 0.143444 0.216232 P\n0.336144 0.207128 0.024000 P\n0.370753 0.856555 0.716232 P\n0.468672 0.464432 0.793046 P\n0.946092 0.187000 0.950092 P\n0.629249 0.143444 0.283768 P\n0.066898 0.464432 0.706954 P\n0.543272 0.792872 0.524000 P\n0.053909 0.813000 0.049908 P\n0.133092 0.813000 0.450092 P\n0.663858 0.792872 0.976000 P\n0.456729 0.207128 0.476000 P\n0.772694 0.856555 0.783768 P\n0.531330 0.535567 0.206954 P\n",
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}
]
}