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{
"id": "jvasp-3102",
"created_at": "2022-09-04T14:35:54.895928Z",
"updated_at": "2022-09-04T14:35:54.895946Z",
"structure_string": "K2 C1 N2\n1.0\n3.932310 0.005444 0.929309\n-0.157169 3.929171 0.929309\n-0.017140 -0.017863 5.770450\nK C N\n2 1 2\ndirect\n0.675871 0.675871 0.710972 K\n0.324129 0.324129 0.289029 K\n0.000000 0.000000 0.000000 C\n0.839492 0.839491 0.203629 N\n0.160508 0.160508 0.796372 N\n",
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{
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"structure_string": "Sn2 H24 C12 F4\n1.0\n4.425479 0.387200 -0.000134\n-0.283420 8.118629 -0.000122\n0.000451 -0.000177 10.097223\nSn H C F\n2 24 12 4\ndirect\n0.289723 0.725882 0.537765 Sn\n0.619899 0.580441 0.037782 Sn\n0.763922 0.547308 0.783452 H\n0.441670 0.433728 0.812561 H\n0.747348 0.198962 0.902782 H\n0.069335 0.314729 0.917251 H\n0.162484 0.107328 0.402743 H\n0.145899 0.758970 0.283420 H\n0.468155 0.872543 0.312568 H\n-0.174843 0.958824 0.168238 H\n0.133521 0.084049 0.153502 H\n0.633184 0.235499 0.116093 H\n0.521054 0.190203 0.278694 H\n0.840469 -0.008419 0.417209 H\n0.084695 0.347436 0.668275 H\n0.776330 0.222214 0.653542 H\n0.825671 0.927398 0.723052 H\n0.006922 -0.052005 0.877005 H\n0.470709 0.792490 0.785470 H\n0.084126 0.378889 0.222967 H\n0.148233 0.672279 0.789154 H\n0.902998 0.358262 0.376944 H\n0.761585 0.633979 0.289163 H\n0.439123 0.513763 0.285514 H\n0.276630 0.070749 0.616132 H\n0.388793 0.116061 0.778724 H\n-0.064063 0.061177 0.215922 C\n0.868948 0.297807 0.855144 C\n0.242090 0.850001 0.349359 C\n0.040869 0.008485 0.355104 C\n0.667702 0.456285 0.849383 C\n0.719724 0.213890 0.217797 C\n0.862252 0.368589 0.269551 C\n0.047580 0.937683 0.769605 C\n0.190105 0.092375 0.717840 C\n0.665754 0.525036 0.245445 C\n0.244036 0.781233 0.745443 C\n0.973904 0.245094 0.715965 C\n0.129342 0.592342 0.036608 F\n0.780361 0.714010 0.536600 F\n0.314254 0.484005 0.511921 F\n0.595319 0.822323 0.011958 F\n",
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"formula_full": "Sn2 H24 C12 F4",
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{
"id": "jvasp-94362",
"created_at": "2022-09-04T14:36:07.960298Z",
"updated_at": "2022-09-04T14:36:07.960313Z",
"structure_string": "Mg5 Ti1\n1.0\n3.099742 0.000000 0.000000\n-1.549871 2.684455 -0.000000\n-0.000000 0.000000 15.379710\nMg Ti\n5 1\ndirect\n0.666666 0.333332 0.841414 Mg\n0.000000 0.000000 0.670172 Mg\n0.666666 0.333332 0.500000 Mg\n0.000000 0.000000 0.329828 Mg\n0.666666 0.333332 0.158586 Mg\n0.000000 0.000000 0.000000 Ti\n",
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{
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"created_at": "2022-09-04T14:35:53.277853Z",
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"structure_string": "Mg7 V1\n1.0\n6.255578 0.000000 0.000000\n-3.127789 5.417489 -0.000000\n0.000000 -0.000000 4.928613\nMg V\n7 1\ndirect\n0.169136 0.834568 0.250000 Mg\n0.665432 0.330864 0.250000 Mg\n0.665432 0.834568 0.250000 Mg\n0.324564 0.175436 0.750000 Mg\n0.324564 0.649128 0.750000 Mg\n0.850872 0.175436 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 V\n",
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{
"id": "jvasp-4891",
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"structure_string": "K8 S20\n1.0\n6.612525 0.000000 0.000000\n0.000000 6.402768 0.000000\n0.000000 0.000000 17.027574\nK S\n8 20\ndirect\n0.006624 0.330187 0.411878 K\n0.993377 0.830187 0.088122 K\n0.506625 0.169813 0.588122 K\n0.493376 0.669813 0.911878 K\n0.165135 0.867902 0.738275 K\n0.834865 0.367902 0.761725 K\n0.665136 0.632099 0.261725 K\n0.334865 0.132098 0.238275 K\n0.666127 0.839779 0.727403 S\n0.887451 0.322657 0.124567 S\n0.112550 0.822657 0.375433 S\n0.366075 0.802131 0.449575 S\n0.612550 0.677344 0.624567 S\n0.633926 0.302131 0.050425 S\n0.333874 0.339779 0.772597 S\n0.387451 0.177344 0.875432 S\n0.166127 0.660222 0.272597 S\n0.908071 0.007139 0.900493 S\n0.408070 0.492861 0.099507 S\n0.591930 0.992862 0.400493 S\n0.133926 0.197870 0.949575 S\n0.091930 0.507139 0.599507 S\n0.495681 0.803519 0.091575 S\n0.504320 0.303519 0.408425 S\n0.995681 0.696482 0.908425 S\n0.004319 0.196482 0.591575 S\n0.833874 0.160221 0.227403 S\n0.866075 0.697870 0.550425 S\n",
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{
"id": "jvasp-35163",
"created_at": "2022-09-04T14:37:28.277936Z",
"updated_at": "2022-09-04T14:37:28.277946Z",
"structure_string": "Li14 P2 N6 O3\n1.0\n2.822296 -4.888360 -0.000000\n2.822296 4.888360 0.000000\n-0.000000 0.000000 7.973322\nLi P N O\n14 2 6 3\ndirect\n0.377681 0.082186 0.091063 Li\n0.000000 0.000000 0.750585 Li\n0.353797 0.305690 0.410751 Li\n0.694311 0.048108 0.410751 Li\n0.951894 0.646205 0.410751 Li\n0.646205 0.694312 0.589249 Li\n0.305690 0.951894 0.589249 Li\n0.000000 0.000000 0.249415 Li\n0.082186 0.704505 0.908937 Li\n0.295496 0.377681 0.908937 Li\n0.622320 0.917816 0.908937 Li\n0.917815 0.295496 0.091063 Li\n0.704506 0.622320 0.091063 Li\n0.048107 0.353797 0.589249 Li\n0.666668 0.333334 0.772838 P\n0.333334 0.666668 0.227162 P\n0.068824 0.693599 0.174647 N\n0.306402 0.375225 0.174647 N\n0.624776 0.931178 0.174647 N\n0.375225 0.068824 0.825353 N\n0.693600 0.624776 0.825353 N\n0.931177 0.306402 0.825353 N\n0.333334 0.666668 0.449374 O\n0.666668 0.333334 0.550625 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 25,
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"formula_full": "Li14 P2 N6 O3",
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{
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"created_at": "2022-09-04T14:36:32.796401Z",
"updated_at": "2022-09-04T14:36:32.796420Z",
"structure_string": "Mg3 Si2\n1.0\n4.833251 0.003889 1.922640\n-1.476369 4.602246 1.922640\n-0.040061 -0.054970 4.338031\nMg Si\n3 2\ndirect\n0.706680 0.293320 0.500000 Mg\n0.293320 0.706681 0.499999 Mg\n0.000000 0.000000 0.000000 Mg\n0.705966 0.705967 0.768443 Si\n0.294034 0.294034 0.231556 Si\n",
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{
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"structure_string": "Na1 Cl1\n1.0\n3.436096 -0.000000 1.983832\n1.145365 3.239583 1.983832\n-0.000000 -0.000000 3.967662\nNa Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500001 0.500000 0.499999 Cl\n",
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{
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"created_at": "2022-09-04T14:38:04.096451Z",
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"structure_string": "Al12 S18\n1.0\n6.889837 -0.210934 -1.176951\n-3.553316 5.915123 0.562308\n-2.850383 0.041485 17.506953\nAl S\n12 18\ndirect\n0.715135 0.156597 0.844234 Al\n0.648569 0.539921 0.407667 Al\n0.211502 0.905461 0.649720 Al\n0.269518 0.171028 0.923950 Al\n0.452429 0.763113 0.263667 Al\n0.944052 0.731339 0.262674 Al\n0.230828 0.810696 0.124651 Al\n0.542108 0.996207 0.469154 Al\n0.266537 0.718328 0.953348 Al\n0.554922 0.404448 0.600659 Al\n0.366458 0.271646 0.211272 Al\n0.673994 0.715412 0.836357 Al\n0.660629 0.873433 0.938847 S\n0.120055 0.395577 0.872209 S\n0.835547 0.873231 0.337493 S\n0.841032 0.356885 0.460507 S\n0.013411 0.947191 0.148570 S\n0.604034 0.369207 0.881740 S\n0.588582 0.682048 0.502140 S\n0.935481 0.551813 0.673841 S\n0.066023 0.856491 0.845212 S\n0.056301 0.480067 0.046701 S\n0.291553 0.383427 0.306523 S\n0.582582 0.930525 0.736462 S\n0.438371 0.052483 0.036741 S\n0.334852 0.039896 0.533417 S\n0.333755 0.903737 0.335982 S\n0.738423 0.359338 0.230241 S\n0.290485 0.256658 0.671657 S\n0.392845 0.503814 0.098486 S\n",
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{
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"structure_string": "Cl1 O3\n1.0\n6.186064 -0.766959 0.056865\n-2.962253 -4.273488 -0.622347\n-0.100019 1.657610 -1.987011\nCl O\n1 3\ndirect\n0.906000 -0.002708 -0.029383 Cl\n0.567511 0.262145 0.770419 O\n0.373043 0.702133 0.202662 O\n0.359327 0.956978 0.521356 O\n",
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{
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"structure_string": "Na2 Ti1 Be2\n1.0\n-1.799980 1.799980 6.524850\n1.799980 -1.799980 6.524850\n1.799980 1.799980 -6.524850\nNa Ti Be\n2 1 2\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 Ti\n0.575440 0.575440 0.000000 Be\n0.424560 0.424560 0.000000 Be\n",
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{
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"created_at": "2022-09-04T14:37:47.148542Z",
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"structure_string": "Al1 P1 O4\n1.0\n4.420401 -0.196401 -2.578973\n-2.918136 4.208602 0.042040\n-0.136179 0.196400 5.115907\nAl P O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.250000 0.750000 P\n0.620859 0.023868 0.862070 O\n0.161798 0.137931 0.758791 O\n0.379141 0.241209 0.403008 O\n0.838201 0.596992 0.976133 O\n",
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}
]
}