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{
"id": "jvasp-12545",
"created_at": "2022-09-04T14:38:26.807028Z",
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"structure_string": "Rb3 Mn2 Cl7\n1.0\n4.938390 -0.000000 -0.936730\n-0.177682 4.935192 -0.936730\n0.008124 0.008422 13.528661\nRb Mn Cl\n3 2 7\ndirect\n0.181633 0.181633 0.363265 Rb\n0.818367 0.818366 0.636735 Rb\n0.000000 0.000000 0.000000 Rb\n0.401534 0.401534 0.803069 Mn\n0.598466 0.598465 0.196931 Mn\n0.905342 0.405342 0.810685 Cl\n0.405342 0.905341 0.810685 Cl\n0.094658 0.594657 0.189315 Cl\n0.594658 0.094658 0.189315 Cl\n0.693879 0.693878 0.387757 Cl\n0.500000 0.500000 -0.000000 Cl\n0.306121 0.306121 0.612243 Cl\n",
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{
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"structure_string": "Os8 O12 F28\n1.0\n5.324234 0.000000 -0.851554\n0.000000 9.891993 0.000000\n0.031406 0.000000 12.189708\nOs O F\n8 12 28\ndirect\n0.996527 0.747470 0.000029 Os\n0.003472 0.247471 0.499971 Os\n0.003472 0.252529 -0.000029 Os\n0.645602 0.491643 0.278440 Os\n0.996528 0.752529 0.500029 Os\n0.645603 0.008357 0.778440 Os\n0.354397 0.991643 0.221561 Os\n0.354398 0.508357 0.721561 Os\n0.594292 0.577968 0.155621 O\n0.500483 0.839885 0.251722 O\n0.499517 0.160115 0.748279 O\n0.452687 0.572204 0.356614 O\n0.405708 0.077969 0.344379 O\n0.405708 0.422031 0.844380 O\n0.452687 0.927796 0.856614 O\n0.547313 0.072204 0.143386 O\n0.499517 0.339885 0.248278 O\n0.594292 0.922031 0.655621 O\n0.547313 0.427796 0.643387 O\n0.500483 0.660114 0.751722 O\n0.799556 0.409457 0.447789 F\n0.193746 0.096013 0.554043 F\n0.714866 0.671880 0.549318 F\n0.095090 0.831698 0.640506 F\n0.200444 0.590543 0.552211 F\n0.904910 0.331698 0.859494 F\n0.719087 0.174501 0.552814 F\n0.020747 0.563526 0.730941 F\n0.020747 0.936473 0.230941 F\n0.200443 0.909456 0.052211 F\n0.799557 0.090543 0.947790 F\n0.906652 0.661105 0.354233 F\n0.093348 0.338895 0.645767 F\n0.093347 0.161105 0.145767 F\n0.280913 0.825499 0.447186 F\n0.285135 0.171880 0.950682 F\n0.285134 0.328120 0.450682 F\n0.906653 0.838895 0.854234 F\n0.280913 0.674501 0.947186 F\n0.095090 0.668301 0.140506 F\n0.193746 0.403987 0.054042 F\n0.979253 0.063526 0.769059 F\n0.806254 0.903987 0.445958 F\n0.714865 0.828119 0.049318 F\n0.904910 0.168301 0.359494 F\n0.806254 0.596013 0.945958 F\n0.719087 0.325499 0.052814 F\n0.979253 0.436474 0.269059 F\n",
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{
"id": "jvasp-97588",
"created_at": "2022-09-04T14:36:02.803218Z",
"updated_at": "2022-09-04T14:36:02.803243Z",
"structure_string": "La3 Ni2 Sn7\n1.0\n4.585698 0.000000 -0.792045\n0.000000 4.652387 0.000000\n0.071695 0.000000 14.086003\nLa Ni Sn\n3 2 7\ndirect\n0.184509 0.000000 0.369019 La\n0.815490 0.000000 0.630981 La\n0.500000 0.500000 -0.000000 La\n0.371905 0.500000 0.743811 Ni\n0.628095 0.500000 0.256189 Ni\n0.089753 0.500000 0.179506 Sn\n0.910247 0.500000 0.820493 Sn\n0.281591 0.500000 0.563182 Sn\n0.718409 0.500000 0.436817 Sn\n0.000000 0.000000 0.000000 Sn\n0.589645 0.000000 0.179289 Sn\n0.410355 0.000000 0.820710 Sn\n",
"nsites": 12,
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"elements": [
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{
"id": "jvasp-87047",
"created_at": "2022-09-04T14:35:59.897665Z",
"updated_at": "2022-09-04T14:35:59.897695Z",
"structure_string": "Ca3 Ni7 B2\n1.0\n4.838024 0.001198 5.994746\n2.118101 4.349728 5.994746\n0.001914 0.001198 7.703470\nCa Ni B\n3 7 2\ndirect\n0.644561 0.644563 0.644564 Ca\n0.355437 0.355438 0.355438 Ca\n0.499999 0.500001 0.500001 Ca\n0.061832 0.571693 0.061833 Ni\n0.061832 0.061833 0.571693 Ni\n0.571692 0.061833 0.061833 Ni\n0.428306 0.938169 0.938169 Ni\n0.938166 0.938169 0.428309 Ni\n0.938165 0.428309 0.938169 Ni\n0.000000 0.000000 0.000000 Ni\n0.830956 0.830959 0.830959 B\n0.169042 0.169043 0.169043 B\n",
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{
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"created_at": "2022-09-04T14:36:09.442493Z",
"updated_at": "2022-09-04T14:36:09.442521Z",
"structure_string": "Ca3 Ni7 B2\n1.0\n7.263389 -2.564563 0.001051\n7.263389 2.564563 0.001051\n6.357262 -0.000000 4.349601\nCa Ni B\n3 7 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.644562 0.644562 0.644561 Ca\n0.355438 0.355438 0.355438 Ca\n0.000000 0.000000 0.000000 Ni\n0.571690 0.061825 0.061824 Ni\n0.061825 0.061825 0.571690 Ni\n0.061825 0.571690 0.061824 Ni\n0.428310 0.938175 0.938175 Ni\n0.938175 0.428310 0.938175 Ni\n0.938176 0.938176 0.428309 Ni\n0.830955 0.830955 0.830954 B\n0.169046 0.169046 0.169045 B\n",
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{
"id": "jvasp-86676",
"created_at": "2022-09-04T14:35:41.147129Z",
"updated_at": "2022-09-04T14:35:41.147162Z",
"structure_string": "Rb3 Mn2 Cl7\n1.0\n4.717301 0.000000 -0.894793\n-0.169728 4.714247 -0.894793\n0.550048 0.570208 15.781909\nRb Mn Cl\n3 2 7\ndirect\n0.187515 0.187516 0.375032 Rb\n0.812484 0.812485 0.624969 Rb\n0.500000 0.500000 0.000000 Rb\n0.372829 0.372830 0.745659 Mn\n0.627170 0.627171 0.254342 Mn\n0.705470 0.705471 0.410941 Cl\n0.111308 0.611309 0.222616 Cl\n0.388691 0.888692 0.777384 Cl\n0.888691 0.388692 0.777384 Cl\n0.294529 0.294530 0.589059 Cl\n0.000000 0.000000 0.000000 Cl\n0.611308 0.111309 0.222616 Cl\n",
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{
"id": "jvasp-111606",
"created_at": "2022-09-04T14:38:41.733518Z",
"updated_at": "2022-09-04T14:38:41.733560Z",
"structure_string": "Eu3 B2 Pt7\n1.0\n5.231199 0.023208 6.504672\n2.307357 4.694900 6.504672\n0.037082 0.023208 8.347145\nEu B Pt\n3 2 7\ndirect\n0.855894 0.855894 0.855892 Eu\n0.144107 0.144107 0.144106 Eu\n0.000000 0.000000 0.000000 Eu\n0.668135 0.668135 0.668133 B\n0.331866 0.331866 0.331865 B\n0.432613 0.933290 0.432612 Pt\n0.432613 0.432613 0.933289 Pt\n0.933290 0.432613 0.432612 Pt\n0.567387 0.066710 0.567387 Pt\n0.567387 0.567387 0.066709 Pt\n0.066710 0.567387 0.567386 Pt\n0.500000 0.500000 0.499999 Pt\n",
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{
"id": "jvasp-19258",
"created_at": "2022-09-04T14:38:32.023097Z",
"updated_at": "2022-09-04T14:38:32.023132Z",
"structure_string": "Zn6 Sn4 O14\n1.0\n5.362926 -0.000000 -0.000000\n-0.000000 5.211227 -1.405645\n0.000000 -0.125672 9.896849\nZn Sn O\n6 4 14\ndirect\n0.728097 0.745070 0.000000 Zn\n0.228097 0.254931 0.000000 Zn\n0.790793 0.572726 0.590335 Zn\n0.290793 0.427275 0.409666 Zn\n0.790793 0.982391 0.409666 Zn\n0.290793 0.017610 0.590334 Zn\n0.755783 0.356529 0.207613 Sn\n0.255783 0.643472 0.792388 Sn\n0.255783 0.851085 0.207613 Sn\n0.755783 0.148916 0.792387 Sn\n0.353546 0.620574 0.000000 O\n0.853546 0.379426 0.000000 O\n0.426999 0.156742 0.148765 O\n0.926999 0.843259 0.851235 O\n0.082798 0.552820 0.272243 O\n0.582798 0.447181 0.727757 O\n0.162808 0.074299 0.411170 O\n0.082798 0.280577 0.727757 O\n0.662809 0.336872 0.411170 O\n0.162808 0.663129 0.588831 O\n0.926999 0.992024 0.148766 O\n0.662809 0.925702 0.588831 O\n0.582798 0.719424 0.272243 O\n0.426999 0.007977 0.851235 O\n",
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{
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"structure_string": "Ca6 Sn4 S14\n1.0\n0.000000 0.000000 6.957980\n1.852955 -6.681481 0.000000\n11.067631 6.667029 0.000000\nCa Sn S\n6 4 14\ndirect\n0.500000 -0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.834854 0.129136 Ca\n0.500000 0.165145 0.870864 Ca\n0.000000 0.294282 0.129136 Ca\n0.000000 0.705718 0.870864 Ca\n0.500000 0.615553 0.714406 Sn\n0.500000 0.384446 0.285594 Sn\n0.000000 0.098852 0.714406 Sn\n0.000000 0.901147 0.285594 Sn\n0.250000 0.380409 0.760819 S\n0.250000 0.619590 0.239181 S\n0.000000 0.881249 0.090634 S\n0.000000 0.118750 0.909366 S\n0.500000 0.209384 0.090634 S\n0.500000 0.790615 0.909365 S\n0.000000 -0.000000 0.500000 S\n0.750000 0.176020 0.352041 S\n0.250000 0.176020 0.352041 S\n0.250000 0.823979 0.647959 S\n0.750000 0.380409 0.760819 S\n0.500000 0.500000 0.500000 S\n0.750000 0.823979 0.647959 S\n0.750000 0.619590 0.239181 S\n",
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{
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"structure_string": "Lu6 Ni14 B4\n1.0\n2.498845 -4.328127 -0.000000\n2.498845 4.328127 0.000000\n-0.000000 0.000000 14.223190\nLu Ni B\n6 14 4\ndirect\n0.333332 0.666666 0.216851 Lu\n0.666666 0.333332 0.716853 Lu\n0.666666 0.333332 0.283147 Lu\n0.333332 0.666666 0.783149 Lu\n0.333332 0.666666 0.000000 Lu\n0.666666 0.333332 0.500000 Lu\n0.166050 0.833948 0.397155 Ni\n0.166051 0.332102 0.397155 Ni\n0.667896 0.833947 0.397155 Ni\n0.332102 0.166051 0.897153 Ni\n0.833947 0.667896 0.897153 Ni\n0.833947 0.166051 0.897153 Ni\n0.332102 0.166051 0.102847 Ni\n0.166051 0.332102 0.602845 Ni\n0.667896 0.833947 0.602845 Ni\n0.833947 0.166051 0.102847 Ni\n0.166050 0.833948 0.602845 Ni\n0.000000 0.000000 0.249997 Ni\n0.000000 0.000000 0.750003 Ni\n0.833947 0.667896 0.102847 Ni\n0.000000 0.000000 0.500000 B\n0.333332 0.666666 0.500000 B\n0.666666 0.333332 0.000000 B\n0.000000 0.000000 0.000000 B\n",
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{
"id": "jvasp-57743",
"created_at": "2022-09-04T14:37:58.244880Z",
"updated_at": "2022-09-04T14:37:58.244908Z",
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{
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"structure_string": "Ca6 Sn4 S14\n1.0\n3.854038 0.000000 0.000000\n0.000000 11.298545 0.000000\n0.000000 -0.000000 12.479085\nCa Sn S\n6 4 14\ndirect\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.113605 0.151834 Ca\n0.000000 0.886394 0.848166 Ca\n0.000000 0.613605 0.348166 Ca\n0.000000 0.386394 0.651834 Ca\n0.500000 0.215081 0.892664 Sn\n0.500000 0.784919 0.107336 Sn\n0.500000 0.715081 0.607337 Sn\n0.500000 0.284919 0.392664 Sn\n0.500000 0.078943 0.321554 S\n0.500000 0.921057 0.678446 S\n0.500000 0.578943 0.178446 S\n0.500000 0.421057 0.821554 S\n0.500000 0.296428 0.071332 S\n0.500000 0.703572 0.928669 S\n0.000000 0.858128 0.212876 S\n0.500000 0.203572 0.571332 S\n0.000000 0.358128 0.287124 S\n0.000000 0.641872 0.712876 S\n0.500000 0.500000 0.500000 S\n0.000000 0.141872 0.787124 S\n0.500000 0.796428 0.428669 S\n0.500000 0.000000 0.000000 S\n",
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}
]
}