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{
"id": "jvasp-105327",
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{
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"structure_string": "K2 Pd1 F6\n1.0\n2.870988 -4.972696 0.000000\n2.870988 4.972696 0.000000\n0.000000 0.000000 4.616396\nK Pd F\n2 1 6\ndirect\n0.333333 0.666668 0.717162 K\n0.666668 0.333333 0.282838 K\n0.000000 0.000000 0.000000 Pd\n0.836067 0.672134 0.771858 F\n0.327867 0.163934 0.771858 F\n0.836067 0.163934 0.771858 F\n0.163934 0.327867 0.228143 F\n0.672134 0.836067 0.228143 F\n0.163934 0.836067 0.228143 F\n",
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{
"id": "jvasp-29737",
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"updated_at": "2022-09-04T14:37:05.181252Z",
"structure_string": "V8 Pb4 O24\n1.0\n3.653534 0.000000 0.000000\n0.000000 9.859009 0.000000\n0.000000 0.000000 12.887855\nV Pb O\n8 4 24\ndirect\n0.250000 0.239163 0.406046 V\n0.250000 0.006825 0.630622 V\n0.749999 0.993175 0.369378 V\n0.749999 0.760837 0.593954 V\n0.749999 0.260837 0.906046 V\n0.250000 0.506825 0.869378 V\n0.250000 0.739163 0.093954 V\n0.749999 0.493175 0.130622 V\n0.749999 0.370873 0.618406 Pb\n0.250000 0.129127 0.118406 Pb\n0.749999 0.870873 0.881594 Pb\n0.250000 0.629127 0.381594 Pb\n0.250000 0.483132 0.740632 O\n0.749999 0.969654 0.594575 O\n0.250000 0.530346 0.094574 O\n0.749999 0.324901 0.103053 O\n0.250000 0.276958 0.282283 O\n0.749999 0.516868 0.259369 O\n0.250000 0.675099 0.896947 O\n0.250000 0.776958 0.217717 O\n0.250000 0.892005 0.028296 O\n0.250000 0.812053 0.572053 O\n0.749999 0.223042 0.782283 O\n0.749999 0.824902 0.396947 O\n0.749999 0.107995 0.971705 O\n0.749999 0.723042 0.717717 O\n0.250000 0.983132 0.759369 O\n0.250000 0.312053 0.927947 O\n0.250000 0.175099 0.603053 O\n0.749999 0.687947 0.072053 O\n0.749999 0.469654 0.905426 O\n0.749999 0.607995 0.528296 O\n0.749999 0.187947 0.427947 O\n0.749999 0.016868 0.240632 O\n0.250000 0.392005 0.471704 O\n0.250000 0.030346 0.405426 O\n",
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{
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"created_at": "2022-09-04T14:37:05.636208Z",
"updated_at": "2022-09-04T14:37:05.636230Z",
"structure_string": "Zn2 I4 O12\n1.0\n0.000000 5.527940 0.006585\n5.022977 0.000000 0.000000\n0.000000 -0.081343 -9.491113\nZn I O\n2 4 12\ndirect\n0.232871 0.925030 0.744718 Zn\n0.767129 0.425030 0.255282 Zn\n0.261928 0.483462 0.068021 I\n0.738073 0.983462 0.931979 I\n0.266347 -0.005240 0.400482 I\n0.733653 0.494760 0.599518 I\n0.463406 0.649121 0.198674 O\n0.536594 0.149121 0.801326 O\n0.346824 0.701154 0.919707 O\n0.653177 0.201154 0.080293 O\n0.094007 0.201415 0.273238 O\n0.855011 0.637238 0.435029 O\n0.144989 0.137238 0.564972 O\n0.016375 0.161919 0.879770 O\n0.553582 0.182904 0.398313 O\n0.446419 0.682905 0.601687 O\n0.905993 0.701416 0.726762 O\n0.983626 0.661919 0.120230 O\n",
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{
"id": "jvasp-106655",
"created_at": "2022-09-04T14:37:02.301397Z",
"updated_at": "2022-09-04T14:37:02.301416Z",
"structure_string": "Zr6 Ni1 Sn2\n1.0\n7.888650 -0.000000 0.000000\n-3.944325 6.831771 0.000000\n-0.000000 -0.000000 3.584366\nZr Ni Sn\n6 1 2\ndirect\n0.243687 0.000000 0.500001 Zr\n0.000000 0.243687 0.500001 Zr\n0.756314 0.756313 0.500001 Zr\n0.601766 0.000000 -0.000000 Zr\n0.000000 0.601766 -0.000000 Zr\n0.398234 0.398234 -0.000000 Zr\n0.000000 0.000000 0.000000 Ni\n0.333334 0.666667 0.500001 Sn\n0.666667 0.333333 0.500001 Sn\n",
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{
"id": "jvasp-43673",
"created_at": "2022-09-04T14:38:01.637138Z",
"updated_at": "2022-09-04T14:38:01.637162Z",
"structure_string": "Li4 V2 F12\n1.0\n6.356140 0.000000 0.000000\n-0.000000 6.356140 0.000000\n0.000000 0.000000 5.953852\nLi V F\n4 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.750005 V\n0.000000 0.500000 0.249995 V\n0.000000 0.500000 0.952950 F\n0.000000 0.500000 0.547046 F\n0.500289 0.697849 0.750002 F\n0.697849 0.500289 0.249997 F\n0.499711 0.302151 0.750002 F\n0.500000 0.000000 0.047049 F\n0.500000 0.000000 0.452954 F\n0.000289 0.802151 0.249997 F\n0.802151 0.000289 0.750002 F\n0.999711 0.197849 0.249997 F\n0.302151 0.499711 0.249997 F\n0.197849 0.999711 0.750002 F\n",
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{
"id": "jvasp-49927",
"created_at": "2022-09-04T14:37:50.259359Z",
"updated_at": "2022-09-04T14:37:50.259382Z",
"structure_string": "Bi4 Se2 O12\n1.0\n5.746835 -0.116874 -0.000109\n-0.107347 5.760967 0.000112\n2.873614 -0.058866 7.862414\nBi Se O\n4 2 12\ndirect\n0.124775 0.502829 0.655289 Bi\n0.621863 0.010281 0.656322 Bi\n0.280064 0.002820 0.344711 Bi\n0.778184 0.510269 0.343682 Bi\n0.002749 0.085609 0.050824 Se\n0.553574 0.585638 -0.050825 Se\n0.160045 0.283444 0.129237 O\n0.473016 0.608279 0.161734 O\n0.451096 0.264410 0.505665 O\n0.456771 0.764410 0.494332 O\n-0.043936 0.248091 0.496931 O\n0.789230 0.783523 0.870766 O\n0.676872 0.337802 0.855439 O\n0.032253 0.837756 0.144551 O\n0.134762 0.108255 0.838265 O\n0.348764 0.659228 0.858135 O\n-0.047009 0.748093 0.503073 O\n0.706916 0.159267 0.141864 O\n",
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{
"id": "jvasp-57808",
"created_at": "2022-09-04T14:38:01.657885Z",
"updated_at": "2022-09-04T14:38:01.657917Z",
"structure_string": "Li6 Mn3 F18\n1.0\n4.262371 -7.382644 0.000000\n4.262371 7.382644 -0.000000\n0.000000 0.000000 4.389404\nLi Mn F\n6 3 18\ndirect\n0.657151 0.000000 0.000000 Li\n0.342848 0.342848 0.000000 Li\n0.000000 0.657151 0.000000 Li\n0.000000 0.342848 0.000000 Li\n0.342848 0.000000 0.000000 Li\n0.657151 0.657151 0.000000 Li\n0.333333 0.666667 0.492650 Mn\n0.000000 0.000000 0.000000 Mn\n0.666667 0.333333 0.507349 Mn\n0.435878 0.871758 0.251347 F\n0.105375 0.210750 0.220215 F\n0.564121 0.128242 0.748652 F\n0.871758 0.435878 0.748652 F\n0.564121 0.435878 0.748652 F\n0.435878 0.564121 0.251347 F\n0.128242 0.564121 0.251347 F\n0.768537 0.537075 0.270342 F\n0.537075 0.768537 0.729657 F\n0.768537 0.231462 0.270342 F\n0.894625 0.105375 0.779784 F\n0.231462 0.768537 0.729657 F\n0.231462 0.462925 0.729657 F\n0.894625 0.789250 0.779784 F\n0.210750 0.105375 0.779784 F\n0.105375 0.894625 0.220215 F\n0.462925 0.231462 0.270342 F\n0.789250 0.894625 0.220215 F\n",
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{
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"structure_string": "Li3 Mn6 F18\n1.0\n8.703971 0.000000 0.000000\n-4.351985 7.537556 -0.000021\n0.000000 0.000035 4.624912\nLi Mn F\n3 6 18\ndirect\n0.333336 0.666675 0.506526 Li\n-0.000009 0.000000 0.000000 Li\n0.666660 0.333326 0.493474 Li\n0.685028 0.685031 0.499998 Mn\n0.314961 0.000000 0.500000 Mn\n0.649389 0.000000 0.000000 Mn\n-0.000002 0.314970 0.500002 Mn\n-0.000005 0.649391 -0.000004 Mn\n0.350604 0.350609 0.000004 Mn\n0.439566 0.225211 0.729319 F\n0.774784 0.214363 0.729318 F\n0.785639 0.560418 0.729314 F\n0.893594 0.773578 0.231911 F\n0.540915 0.106815 0.257077 F\n0.565894 0.459076 0.257087 F\n0.773583 0.893606 0.768075 F\n0.459082 0.565902 0.742930 F\n0.120017 0.226423 0.768089 F\n0.560420 0.785638 0.270682 F\n0.225222 0.439583 0.270685 F\n0.893180 0.434099 0.257069 F\n0.434100 0.893186 0.742923 F\n0.106819 0.540925 0.742913 F\n0.214357 0.774791 0.270681 F\n0.106387 0.879985 0.768073 F\n0.226403 0.120016 0.231927 F\n0.879977 0.106396 0.231925 F\n",
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{
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"created_at": "2022-09-04T14:37:55.792679Z",
"updated_at": "2022-09-04T14:37:55.792705Z",
"structure_string": "Ba4 Cu2 H12\n1.0\n7.375518 2.905616 -0.000000\n-7.375518 2.905616 -0.000000\n0.000000 -0.000000 5.810822\nBa Cu H\n4 2 12\ndirect\n0.141485 0.858517 0.500000 Ba\n0.641485 0.358517 0.000000 Ba\n0.858517 0.141485 0.500000 Ba\n0.358517 0.641485 0.000000 Ba\n0.500001 0.500001 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.710124 0.710124 0.290028 H\n0.289877 0.289877 0.709972 H\n0.108749 0.891253 0.000000 H\n0.608749 0.391253 0.500000 H\n0.891253 0.108749 0.000000 H\n0.999803 0.499803 0.250000 H\n0.500198 0.000198 0.750000 H\n0.210123 0.210123 0.209972 H\n0.499803 0.999803 0.250000 H\n0.000198 0.500198 0.750000 H\n0.391253 0.608749 0.500000 H\n0.789878 0.789878 0.790028 H\n",
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{
"id": "jvasp-13928",
"created_at": "2022-09-04T14:37:50.595257Z",
"updated_at": "2022-09-04T14:37:50.595284Z",
"structure_string": "Pd2 Se4 Cl12\n1.0\n6.995268 -0.005695 -1.119019\n-0.600031 7.381872 -3.788509\n-0.027647 0.066875 9.268208\nPd Se Cl\n2 4 12\ndirect\n0.250000 0.174135 0.000000 Pd\n0.750000 0.825865 -0.000000 Pd\n0.447492 0.070036 0.787885 Se\n0.052508 0.282151 0.212115 Se\n0.552508 0.929964 0.212115 Se\n0.947492 0.717849 0.787885 Se\n0.245500 0.370956 0.448637 Cl\n0.254500 0.922319 0.551363 Cl\n0.053897 0.911601 0.164575 Cl\n0.985276 0.451056 0.784967 Cl\n0.553898 0.252974 0.164575 Cl\n0.745500 0.077681 0.448637 Cl\n0.754500 0.629044 0.551363 Cl\n0.485276 0.333911 0.784967 Cl\n0.014724 0.548944 0.215033 Cl\n0.514724 0.666089 0.215033 Cl\n0.946102 0.088399 0.835425 Cl\n0.446102 0.747026 0.835425 Cl\n",
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}