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{
"id": "jvasp-56184",
"created_at": "2022-09-04T14:37:02.378322Z",
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"structure_string": "Sm8 C12\n1.0\n6.907681 0.000000 -2.442235\n-3.453841 5.982227 -2.442235\n0.000000 0.000000 7.326703\nSm C\n8 12\ndirect\n0.396850 0.500000 0.000001 Sm\n0.000000 0.396850 0.500000 Sm\n0.500000 -0.000000 0.396850 Sm\n0.896850 0.500000 0.000001 Sm\n0.103150 0.103150 0.103150 Sm\n0.000000 0.896850 0.500001 Sm\n0.603150 0.603151 0.603151 Sm\n0.500000 -0.000000 0.896850 Sm\n0.453378 0.250000 0.703378 C\n0.046623 0.750000 0.796623 C\n0.203378 0.750000 0.953378 C\n0.796622 0.046622 0.750000 C\n0.750000 0.953378 0.203379 C\n0.750000 0.796623 0.046624 C\n0.250000 0.546623 0.296623 C\n0.546622 0.296622 0.250001 C\n0.250000 0.703378 0.453378 C\n0.703378 0.453378 0.250001 C\n0.953378 0.203378 0.750000 C\n0.296622 0.250000 0.546623 C\n",
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{
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"structure_string": "Tl4 As4 O16\n1.0\n4.868181 0.000000 0.000000\n0.000000 4.993104 0.011835\n0.000000 -0.029242 12.455146\nTl As O\n4 4 16\ndirect\n0.499808 0.250159 0.632623 Tl\n0.999807 0.749840 0.867378 Tl\n0.500192 0.749840 0.367377 Tl\n0.000192 0.250159 0.132622 Tl\n0.999799 0.750142 0.605749 As\n0.499799 0.249858 0.894251 As\n0.000201 0.249857 0.394251 As\n0.500201 0.750142 0.105749 As\n0.330634 0.036034 0.806350 O\n0.830634 0.963966 0.693650 O\n0.331236 0.536182 0.193682 O\n0.831236 0.463817 0.306318 O\n0.668764 0.463818 0.806318 O\n0.168764 0.536182 0.693682 O\n0.748802 0.562796 0.039290 O\n0.251317 0.937251 0.039346 O\n0.251198 0.437204 0.960710 O\n0.751197 0.562796 0.539290 O\n0.169366 0.036034 0.306350 O\n0.751317 0.062749 0.460654 O\n0.748682 0.062749 0.960654 O\n0.248682 0.937251 0.539346 O\n0.248802 0.437204 0.460710 O\n0.669366 0.963966 0.193649 O\n",
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{
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"updated_at": "2022-09-04T14:38:54.660045Z",
"structure_string": "Ne1 Sn7\n1.0\n6.714581 -0.000000 -0.000000\n0.000000 6.714581 0.000000\n0.000000 -0.000000 6.714581\nNe Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Ne\n0.255997 0.255997 0.755997 Sn\n0.000000 0.500000 0.000000 Sn\n0.255997 0.744003 0.244003 Sn\n0.500000 0.000000 0.000000 Sn\n0.744003 0.255997 0.244003 Sn\n0.500000 0.500000 0.500000 Sn\n0.744003 0.744003 0.755997 Sn\n",
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{
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"created_at": "2022-09-04T14:38:38.823779Z",
"updated_at": "2022-09-04T14:38:38.823805Z",
"structure_string": "K2 Na1 Sm1 Cl6\n1.0\n6.527051 0.000000 3.768395\n2.175683 6.153763 3.768395\n-0.000000 0.000000 7.536790\nK Na Sm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sm\n0.749778 0.250221 0.250221 Cl\n0.250221 0.250221 0.749778 Cl\n0.250221 0.749778 0.749778 Cl\n0.250221 0.749778 0.250221 Cl\n0.749778 0.250221 0.749778 Cl\n0.749778 0.749778 0.250221 Cl\n",
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{
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"structure_string": "Ca4 Zn4\n1.0\n6.714297 0.000000 0.000000\n0.000000 6.714297 -0.000000\n0.000000 -0.000000 6.714297\nCa Zn\n4 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.250000 0.250000 0.750000 Zn\n0.250000 0.750000 0.250000 Zn\n0.750000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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{
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"updated_at": "2022-09-04T14:37:04.064405Z",
"structure_string": "Mg2 Sc4 S8\n1.0\n6.526797 -0.000000 3.768248\n2.175599 6.153524 3.768248\n0.000000 -0.000000 7.536497\nMg Sc S\n2 4 8\ndirect\n0.875001 0.874999 0.875001 Mg\n0.125000 0.125000 0.125000 Mg\n0.500000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.257652 0.257652 0.727045 S\n0.742349 0.742348 0.742349 S\n0.742349 0.742348 0.272955 S\n0.257652 0.727045 0.257652 S\n0.257652 0.257652 0.257652 S\n0.272955 0.742348 0.742349 S\n0.742348 0.272955 0.742348 S\n0.727045 0.257652 0.257652 S\n",
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{
"id": "jvasp-91261",
"created_at": "2022-09-04T14:35:49.776405Z",
"updated_at": "2022-09-04T14:35:49.776425Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.743638 0.000000 0.000000\n-0.000000 6.109250 0.000000\n0.000000 0.000000 10.444246\nLi Mn P O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.499999 0.500000 0.500000 Li\n0.469965 0.750001 0.218985 Mn\n0.030034 0.750001 0.718986 Mn\n0.969966 0.250000 0.281014 Mn\n0.530035 0.250000 0.781015 Mn\n0.088449 0.250000 0.590923 P\n0.411550 0.250000 0.090924 P\n0.911551 0.750001 0.409077 P\n0.588450 0.750001 0.909076 P\n0.278363 0.047817 0.160972 O\n0.734905 0.250000 0.093836 O\n0.221638 0.452181 0.660972 O\n0.786254 0.750001 0.546623 O\n0.213746 0.250000 0.453378 O\n0.286255 0.250000 0.953378 O\n0.713746 0.750001 0.046623 O\n0.234903 0.750001 0.406165 O\n0.721637 0.952182 0.839028 O\n0.721637 0.547818 0.839028 O\n0.265096 0.750001 0.906164 O\n0.221638 0.047817 0.660972 O\n0.278363 0.452181 0.160972 O\n0.778362 0.547818 0.339028 O\n0.778362 0.952182 0.339028 O\n0.765097 0.250000 0.593837 O\n",
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"formula_full": "Li4 Mn4 P4 O16",
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{
"id": "jvasp-86897",
"created_at": "2022-09-04T14:35:41.391400Z",
"updated_at": "2022-09-04T14:35:41.391422Z",
"structure_string": "Th4 Pd12\n1.0\n5.931223 0.000000 0.000000\n-2.965611 5.136590 0.000000\n-0.000000 0.000000 9.934022\nTh Pd\n4 12\ndirect\n0.000000 0.000000 0.500000 Th\n0.666667 0.333333 0.750000 Th\n0.333333 0.666667 0.250000 Th\n0.000000 0.000000 0.000000 Th\n0.174446 0.825554 0.750000 Pd\n0.651107 0.825554 0.750000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.825554 0.651107 0.250000 Pd\n0.348893 0.174446 0.250000 Pd\n0.174446 0.348893 0.750000 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 -0.000000 0.500000 Pd\n0.825554 0.174446 0.250000 Pd\n0.500000 -0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n",
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{
"id": "jvasp-86294",
"created_at": "2022-09-04T14:36:20.987500Z",
"updated_at": "2022-09-04T14:36:20.987523Z",
"structure_string": "Th4 Pd12\n1.0\n5.931213 0.000000 -0.000000\n-2.965606 5.136581 0.000000\n0.000000 0.000000 9.933872\nTh Pd\n4 12\ndirect\n0.000000 0.000000 0.500000 Th\n0.666666 0.333333 0.750000 Th\n0.333332 0.666667 0.250000 Th\n0.000000 0.000000 0.000000 Th\n0.174447 0.825552 0.750000 Pd\n0.651103 0.825552 0.750000 Pd\n-0.000000 0.500000 0.000000 Pd\n0.499999 0.500000 0.000000 Pd\n0.825551 0.651103 0.250000 Pd\n0.348896 0.174448 0.250000 Pd\n0.174447 0.348896 0.750000 Pd\n0.499999 0.500000 0.500000 Pd\n0.500000 -0.000000 0.500000 Pd\n0.825552 0.174448 0.250000 Pd\n0.500000 -0.000000 0.000000 Pd\n-0.000000 0.500000 0.500000 Pd\n",
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{
"id": "jvasp-112124",
"created_at": "2022-09-04T14:38:44.399085Z",
"updated_at": "2022-09-04T14:38:44.399111Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n4.062518 -0.188638 -0.299567\n-0.520637 4.482624 -0.154698\n0.203465 1.838311 16.614214\nH Pb C O\n20 1 12 4\ndirect\n0.637015 0.467581 0.376571 H\n0.983112 0.342436 0.470623 H\n0.110358 0.335903 0.924753 H\n0.503271 0.314497 0.973023 H\n0.356719 0.479242 0.790083 H\n0.763625 0.463844 0.830629 H\n0.591171 0.629994 0.651593 H\n-0.000436 0.624779 0.692439 H\n0.814360 0.792333 0.512954 H\n0.220602 0.779353 0.554424 H\n0.033923 -0.041036 0.373182 H\n0.427785 -0.086891 0.417030 H\n0.312941 0.889529 0.883352 H\n0.708485 0.849203 0.927151 H\n0.519826 0.022613 0.745929 H\n0.927077 0.013383 0.787251 H\n0.743004 0.178440 0.608385 H\n0.151493 0.172636 0.649105 H\n0.245977 0.491947 0.327673 H\n0.389129 0.322548 0.511109 H\n0.874374 0.902539 0.150623 Pb\n0.217568 0.577496 0.030152 C\n0.327269 0.471024 0.954012 C\n0.485566 0.725483 0.896817 C\n0.577305 0.615678 0.818187 C\n0.709566 0.874039 0.758777 C\n0.807633 0.771132 0.679906 C\n0.257934 0.079611 0.403831 C\n0.032563 0.929640 0.541729 C\n0.167419 0.188455 0.482753 C\n0.419782 0.333767 0.347036 C\n0.530706 0.227338 0.270990 C\n0.934909 0.031965 0.620706 C\n-0.017529 0.418926 0.067837 O\n0.765426 0.386805 0.233357 O\n0.389447 -0.027910 0.246629 O\n0.360482 0.831932 0.054724 O\n",
"nsites": 37,
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],
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"formula_full": "H20 Pb1 C12 O4",
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},
{
"id": "jvasp-46760",
"created_at": "2022-09-04T14:38:01.825728Z",
"updated_at": "2022-09-04T14:38:01.825758Z",
"structure_string": "Li4 Ti1 Mn3 P4 O16\n1.0\n0.000000 4.727147 -0.002155\n6.104367 0.000000 0.000000\n0.000000 -0.018212 -10.487832\nLi Ti Mn P O\n4 1 3 4 16\ndirect\n-0.000820 0.252269 0.996785 Li\n-0.000820 0.747732 0.996785 Li\n0.499458 0.748855 0.502437 Li\n0.499458 0.251145 0.502437 Li\n0.026575 0.000000 0.279065 Ti\n0.971645 0.500000 0.718678 Mn\n0.527549 0.500000 0.218813 Mn\n0.472042 0.000000 0.780983 Mn\n0.080918 0.500000 0.409124 P\n0.414060 0.500000 0.909248 P\n0.590580 0.000000 0.092528 P\n0.913566 0.000000 0.590222 P\n0.210857 0.702936 0.337744 O\n0.238135 0.000000 0.591794 O\n0.266594 0.000000 0.095482 O\n0.281052 0.297426 0.839703 O\n0.281052 0.702574 0.839703 O\n0.288570 0.500000 0.046313 O\n0.714603 0.000000 0.955864 O\n0.780438 0.202406 0.659600 O\n0.728302 0.200836 0.163352 O\n0.738714 0.500000 0.907383 O\n0.756691 0.500000 0.408031 O\n0.780438 0.797595 0.659600 O\n0.210857 0.297065 0.337744 O\n0.787821 0.000000 0.452801 O\n0.728302 0.799165 0.163352 O\n0.213374 0.500000 0.544429 O\n",
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{
"id": "jvasp-33801",
"created_at": "2022-09-04T14:38:08.160555Z",
"updated_at": "2022-09-04T14:38:08.160592Z",
"structure_string": "Sb2 H8 Pt1 O4 F12\n1.0\n4.971778 0.039307 -0.045413\n1.945748 7.615610 -0.041977\n0.925294 2.885888 7.991504\nSb H Pt O F\n2 8 1 4 12\ndirect\n0.352313 0.334544 0.337612 Sb\n0.647687 0.665457 0.662387 Sb\n0.746951 0.750841 0.007058 H\n0.837577 0.709969 0.192560 H\n0.239640 0.860968 0.295940 H\n0.947840 0.009588 0.299601 H\n0.052162 0.990412 0.700399 H\n0.760359 0.139034 0.704059 H\n0.162424 0.290032 0.807440 H\n0.253050 0.249159 0.992941 H\n0.000002 0.000000 0.000001 Pt\n0.242186 0.187769 0.909957 O\n0.888323 0.022346 0.770543 O\n0.757814 0.812232 0.090043 O\n0.111677 0.977654 0.229456 O\n0.368879 0.534096 0.768101 F\n0.218941 0.375850 0.119798 F\n0.631124 0.465906 0.231898 F\n0.596959 0.103863 0.329188 F\n0.104377 0.569117 0.334492 F\n0.518906 0.707907 0.443773 F\n0.069793 0.203813 0.440699 F\n0.930205 0.796186 0.559302 F\n0.481096 0.292093 0.556228 F\n0.895623 0.430885 0.665507 F\n0.403044 0.896136 0.670812 F\n0.781059 0.624151 0.880201 F\n",
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}
]
}