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{
"id": "jvasp-26389",
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"structure_string": "Ba2 Cu1 Cl1 O2\n1.0\n4.181597 -0.014247 8.896320\n1.975199 3.685722 8.896320\n-0.023890 -0.014247 9.830041\nBa Cu Cl O\n2 1 1 2\ndirect\n0.744575 0.744572 0.744573 Ba\n0.255427 0.255426 0.255427 Ba\n0.500001 0.499999 0.500000 Cu\n0.000000 0.000000 0.000000 Cl\n0.563522 0.563519 0.563521 O\n0.436480 0.436478 0.436479 O\n",
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{
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"structure_string": "Li2 Fe1 C2 O6\n1.0\n4.941055 0.154657 0.201127\n-2.673726 -1.213924 -4.469202\n-2.295463 5.419934 -0.099010\nLi Fe C O\n2 1 2 6\ndirect\n0.500001 0.499999 0.500000 Li\n0.500003 0.000000 0.499999 Li\n0.000001 0.000000 -0.000001 Fe\n0.155965 0.577982 0.760116 C\n0.844038 0.422018 0.239883 C\n0.001139 0.710151 0.757663 O\n0.001124 0.290989 0.757663 O\n0.457373 0.728673 0.740557 O\n0.542631 0.271328 0.259442 O\n0.998881 0.709010 0.242336 O\n0.998864 0.289849 0.242336 O\n",
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{
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"created_at": "2022-09-04T14:37:58.167097Z",
"updated_at": "2022-09-04T14:37:58.167129Z",
"structure_string": "Cd4 Sb4 S8 Cl4\n1.0\n3.955727 0.000000 0.000000\n-0.000000 9.587592 0.000000\n0.000000 0.000000 12.573216\nCd Sb S Cl\n4 4 8 4\ndirect\n0.750001 0.000188 0.269140 Cd\n0.250000 0.499812 0.769140 Cd\n0.250000 -0.000188 0.730860 Cd\n0.750001 0.500188 0.230860 Cd\n0.750001 0.812576 0.969930 Sb\n0.750001 0.312576 0.530070 Sb\n0.250000 0.187424 0.030070 Sb\n0.250000 0.687423 0.469930 Sb\n0.750001 0.741238 0.332996 S\n0.250000 0.258762 0.667004 S\n0.250000 0.946881 0.110406 S\n0.250000 0.758762 0.832996 S\n0.750001 0.053119 0.889594 S\n0.250000 0.446881 0.389594 S\n0.750001 0.241238 0.167004 S\n0.750001 0.553119 0.610406 S\n0.750001 0.426241 0.896070 Cl\n0.250000 0.073759 0.396070 Cl\n0.250000 0.573759 0.103930 Cl\n0.750001 0.926241 0.603931 Cl\n",
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{
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"created_at": "2022-09-04T14:38:03.269041Z",
"updated_at": "2022-09-04T14:38:03.269067Z",
"structure_string": "Li5 Fe2 Cu3 O10\n1.0\n5.003388 0.109841 0.075073\n-1.364860 5.034597 -0.118012\n-1.763592 -2.302646 6.959572\nLi Fe Cu O\n5 2 3 10\ndirect\n0.206423 0.909805 0.399862 Li\n0.401094 0.282149 0.789297 Li\n0.500000 0.500000 0.500000 Li\n0.598907 0.717850 0.210703 Li\n0.793578 0.090194 0.600137 Li\n0.100068 0.677814 0.688786 Fe\n0.899933 0.322185 0.311213 Fe\n0.697333 0.884970 0.897474 Cu\n0.302667 0.115029 0.102525 Cu\n0.000000 0.500000 0.000000 Cu\n0.661747 0.339376 0.077117 O\n0.060802 0.017333 0.831057 O\n0.338253 0.660623 0.922882 O\n0.133704 0.325368 0.542811 O\n0.209948 0.528164 0.252304 O\n0.439028 0.874598 0.658977 O\n0.560972 0.125402 0.341022 O\n0.790052 0.471836 0.747696 O\n0.866297 0.674632 0.457188 O\n0.939198 0.982667 0.168942 O\n",
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{
"id": "jvasp-29180",
"created_at": "2022-09-04T14:37:57.997375Z",
"updated_at": "2022-09-04T14:37:57.997402Z",
"structure_string": "Te4 Mo3 W1 Se4\n1.0\n3.442737 0.000000 0.000000\n-1.721368 2.981488 0.000007\n0.000000 0.000084 37.401573\nTe Mo W Se\n4 3 1 4\ndirect\n0.333317 0.666634 0.328184 Te\n0.666677 0.333352 0.422904 Te\n0.666674 0.333347 0.522358 Te\n0.333320 0.666639 0.228724 Te\n0.333315 0.666631 0.095110 Mo\n0.333343 0.666686 0.472646 Mo\n0.666651 0.333301 0.278444 Mo\n0.666694 0.333387 0.656715 W\n0.333358 0.666716 0.700578 Se\n0.666648 0.333294 0.051427 Se\n0.666645 0.333289 0.138881 Se\n0.333360 0.666721 0.612777 Se\n",
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{
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"created_at": "2022-09-04T14:38:03.042188Z",
"updated_at": "2022-09-04T14:38:03.042217Z",
"structure_string": "Sr1 Pr1 Mn1 O4\n1.0\n3.672986 -0.029491 -5.794793\n-0.334218 3.657868 -5.794793\n0.027137 0.029491 6.860737\nSr Pr Mn O\n1 1 1 4\ndirect\n0.642604 0.642604 0.000001 Sr\n0.359777 0.359777 0.000001 Pr\n0.003127 0.003127 0.000000 Mn\n0.834899 0.834899 0.000002 O\n0.172131 0.172131 0.000000 O\n0.993732 0.493731 0.500002 O\n0.493731 0.993732 0.500002 O\n",
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{
"id": "jvasp-30762",
"created_at": "2022-09-04T14:37:57.996450Z",
"updated_at": "2022-09-04T14:37:57.996484Z",
"structure_string": "Zn2 Ge4 W2 O12\n1.0\n4.887977 -0.438758 0.616691\n0.445564 7.627465 1.603978\n-0.918950 0.980887 7.690441\nZn Ge W O\n2 4 2 12\ndirect\n0.750000 0.365962 0.634038 Zn\n0.250000 0.634038 0.365962 Zn\n0.709091 0.419975 0.197204 Ge\n0.790909 0.802795 0.580025 Ge\n0.290909 0.580025 0.802796 Ge\n0.209091 0.197204 0.419975 Ge\n0.750000 0.893678 0.106322 W\n0.250000 0.106322 0.893678 W\n0.535810 0.965828 0.857201 O\n0.964190 0.142799 0.034172 O\n0.562499 0.671957 0.176962 O\n0.937501 0.823038 0.328043 O\n0.437501 0.328043 0.823038 O\n0.962164 0.563493 0.675713 O\n0.037836 0.436507 0.324287 O\n0.462164 0.675713 0.563493 O\n0.035810 0.857200 0.965829 O\n0.537836 0.324286 0.436507 O\n0.062499 0.176962 0.671957 O\n0.464189 0.034172 0.142799 O\n",
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{
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"created_at": "2022-09-04T14:37:57.947574Z",
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"structure_string": "Li14 V2 O8 F4\n1.0\n-5.359812 0.114622 0.729844\n2.501480 4.953236 -1.592774\n1.349536 -0.165833 -9.710562\nLi V O F\n14 2 8 4\ndirect\n0.230770 0.069296 0.799890 Li\n0.015824 0.108658 0.252355 Li\n0.468493 0.581403 0.737133 Li\n0.485470 0.985185 0.380952 Li\n0.002196 0.522893 0.118239 Li\n0.957927 0.205948 0.452696 Li\n0.441671 0.681873 0.952996 Li\n0.484149 0.823885 0.183784 Li\n0.516227 0.293813 0.046928 Li\n0.034463 0.761244 0.557772 Li\n0.972360 0.467876 0.864327 Li\n0.561790 0.056972 0.617258 Li\n0.482884 0.382725 0.248997 Li\n0.966614 0.649076 0.321277 Li\n0.002539 -0.025189 0.010298 V\n0.495668 0.525366 0.474200 V\n0.775359 0.864786 0.381554 O\n0.210595 0.456211 0.302710 O\n0.339903 0.709743 0.540280 O\n0.246604 0.328609 0.886765 O\n0.162556 0.774097 0.959047 O\n0.678117 0.320004 0.444233 O\n0.278456 0.042693 0.190786 O\n0.718107 0.641547 0.115147 O\n0.807832 0.197977 0.056538 F\n0.229340 0.122557 0.605694 F\n0.762269 0.536481 0.686515 F\n0.671808 0.914289 0.811621 F\n",
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{
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"created_at": "2022-09-04T14:37:57.934130Z",
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"structure_string": "K4 P4 Pd4 S16\n1.0\n8.634936 -0.000000 0.000000\n0.000000 8.634936 0.000000\n0.000000 0.000000 10.397816\nK P Pd S\n4 4 4 16\ndirect\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.000000 0.500000 0.250000 K\n0.749234 0.749234 0.000000 P\n0.250766 0.250766 0.000000 P\n0.249234 0.750767 0.500000 P\n0.750767 0.249234 0.500000 P\n0.000000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.228838 0.512581 0.500000 S\n0.771162 0.487419 0.500000 S\n0.012581 0.271162 0.000000 S\n0.987419 0.728838 0.000000 S\n0.487419 0.771162 0.500000 S\n0.512581 0.228838 0.500000 S\n0.857219 0.142781 0.653096 S\n0.642781 0.642781 0.153096 S\n0.357219 0.357219 0.846905 S\n0.642781 0.642781 0.846905 S\n0.857219 0.142781 0.346905 S\n0.142781 0.857219 0.346905 S\n0.271162 0.012581 0.000000 S\n0.357219 0.357219 0.153096 S\n0.142781 0.857219 0.653096 S\n0.728838 0.987419 0.000000 S\n",
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{
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"updated_at": "2022-09-04T14:38:03.266064Z",
"structure_string": "Tb2 Cu1 Ge4 O12\n1.0\n-4.955198 0.022558 0.011979\n1.628237 7.091567 -0.042566\n-0.408300 -3.169023 -7.317357\nTb Cu Ge O\n2 1 4 12\ndirect\n0.949821 0.767956 0.546860 Tb\n0.050179 0.232045 0.453140 Tb\n0.000000 0.000000 0.000000 Cu\n0.460221 0.833240 0.222588 Ge\n0.539779 0.166761 0.777412 Ge\n0.417938 0.617236 0.796283 Ge\n0.582062 0.382766 0.203718 Ge\n0.250361 0.988586 0.798519 O\n0.749809 0.771592 0.809733 O\n0.250191 0.228409 0.190267 O\n0.260017 0.690664 0.011207 O\n0.407462 0.342077 0.711405 O\n0.220295 0.578325 0.603987 O\n0.779705 0.421676 0.396014 O\n0.749639 0.011416 0.201482 O\n0.772942 0.065288 0.611191 O\n0.227058 0.934713 0.388810 O\n0.592538 0.657924 0.288596 O\n0.739983 0.309337 0.988794 O\n",
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{
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{
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"created_at": "2022-09-04T14:37:57.887287Z",
"updated_at": "2022-09-04T14:37:57.887313Z",
"structure_string": "Ti1 Nb3 Al2 C2\n1.0\n3.113150 0.000000 0.000000\n-1.556575 2.696067 0.000000\n-0.000000 -0.000000 13.896161\nTi Nb Al C\n1 3 2 2\ndirect\n0.666666 0.333334 0.413749 Ti\n0.333333 0.666668 0.587660 Nb\n0.333333 0.666668 0.910054 Nb\n0.666666 0.333334 0.091410 Nb\n0.666666 0.333334 0.749047 Al\n0.333333 0.666668 0.252843 Al\n0.000000 0.000000 0.494382 C\n0.000000 0.000000 0.000855 C\n",
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}