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{
"id": "jvasp-115805",
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{
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"structure_string": "Li3 V4 O7 F5\n1.0\n-4.952511 0.050732 0.722040\n2.298984 4.520460 -1.550241\n1.086206 -0.332220 -8.715070\nLi V O F\n3 4 7 5\ndirect\n0.799795 0.014016 0.602441 Li\n0.559890 0.279587 0.853460 Li\n0.437054 0.731271 0.138795 Li\n0.801547 0.241511 0.264028 V\n0.531574 0.506128 0.481223 V\n0.202563 0.705011 0.765061 V\n0.014104 0.018502 0.002764 V\n0.197968 0.432688 0.314042 O\n0.175621 0.828023 0.928037 O\n0.234507 0.379223 0.877701 O\n0.740566 0.875693 0.376116 O\n0.792474 0.158763 0.067291 O\n0.809371 0.573753 0.683004 O\n0.698061 0.320861 0.430441 O\n0.335981 0.706502 0.572075 F\n0.737737 0.611861 0.121800 F\n0.676669 0.957889 0.805192 F\n0.314970 0.048369 0.190870 F\n0.248920 0.140236 0.628399 F\n",
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{
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"structure_string": "Er4 Co4 O12\n1.0\n5.086569 -0.000000 0.000000\n-0.000000 5.494670 0.000000\n0.000000 0.000000 7.325220\nEr Co O\n4 4 12\ndirect\n0.023576 0.920776 0.750000 Er\n0.476424 0.420776 0.750000 Er\n0.523576 0.579224 0.250000 Er\n0.976424 0.079224 0.250000 Er\n0.500000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.812807 0.803970 0.447376 O\n0.187193 0.196030 0.947376 O\n0.608068 0.032068 0.750000 O\n0.312807 0.696030 0.947376 O\n0.687193 0.303970 0.447376 O\n0.812807 0.803970 0.052624 O\n0.108068 0.467932 0.250000 O\n0.187193 0.196030 0.552624 O\n0.312807 0.696030 0.552624 O\n0.891932 0.532068 0.750000 O\n0.391932 0.967932 0.250000 O\n0.687193 0.303970 0.052624 O\n",
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{
"id": "jvasp-109423",
"created_at": "2022-09-04T14:38:27.806497Z",
"updated_at": "2022-09-04T14:38:27.806516Z",
"structure_string": "Mn1 Sn1 B2 O6\n1.0\n4.364697 -0.015236 3.839164\n1.726848 4.008592 3.839163\n-0.023241 -0.015236 5.812850\nMn Sn B O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.499999 0.499998 Sn\n0.754054 0.754050 0.754051 B\n0.245950 0.245947 0.245948 B\n0.045109 0.744867 0.469384 O\n0.744868 0.469384 0.045108 O\n0.530616 0.954890 0.255132 O\n0.469385 0.045108 0.744867 O\n0.954895 0.255130 0.530613 O\n0.255133 0.530614 0.954892 O\n",
"nsites": 10,
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"density_atomic": 0.09768527804202126,
"volume": 102.36957093676185,
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{
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"created_at": "2022-09-04T14:37:05.352543Z",
"updated_at": "2022-09-04T14:37:05.352573Z",
"structure_string": "Li1 Mn4 O8\n1.0\n5.730787 -0.000000 -0.000000\n2.865394 4.963007 -0.000000\n2.865394 1.654336 4.679169\nLi Mn O\n1 4 8\ndirect\n0.250000 0.250000 0.250000 Li\n0.121619 0.626127 0.626127 Mn\n0.626126 0.121621 0.626127 Mn\n0.626126 0.626127 0.121621 Mn\n0.626126 0.626127 0.626127 Mn\n0.387769 0.387770 0.387770 O\n0.387768 0.387771 0.836691 O\n0.387769 0.836692 0.387770 O\n0.836690 0.387770 0.387770 O\n0.416513 0.861163 0.861162 O\n0.861161 0.416516 0.861162 O\n0.861161 0.861163 0.416515 O\n0.861160 0.861163 0.861162 O\n",
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{
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"created_at": "2022-09-04T14:38:40.459559Z",
"updated_at": "2022-09-04T14:38:40.459584Z",
"structure_string": "Li6 Fe2 P2 C2 O14\n1.0\n4.931558 -0.000000 0.000000\n0.000000 6.279741 0.000000\n-0.000000 -0.000000 8.595314\nLi Fe P C O\n6 2 2 2 14\ndirect\n0.521684 0.260260 0.734137 Li\n0.521684 0.739739 0.734137 Li\n0.910072 0.500000 0.927068 Li\n0.410072 0.000000 0.072932 Li\n0.021684 0.760260 0.265863 Li\n0.021684 0.239740 0.265863 Li\n0.519179 0.500000 0.359100 Fe\n0.019179 0.000000 0.640900 Fe\n0.029715 0.500000 0.584621 P\n0.529716 0.000000 0.415379 P\n0.947749 0.000000 0.968023 C\n0.447748 0.500000 0.031976 C\n0.933098 0.500000 0.411325 O\n0.343985 0.500000 0.584619 O\n0.416260 0.805459 0.324673 O\n0.416260 0.194540 0.324673 O\n0.653740 0.500000 0.126929 O\n0.200892 0.500000 0.081120 O\n0.916260 0.305460 0.675327 O\n0.503833 0.500000 0.883930 O\n0.700892 0.000000 0.918879 O\n0.153740 0.000000 0.873070 O\n0.916260 0.694540 0.675327 O\n0.433098 0.000000 0.588675 O\n0.003832 0.000000 0.116069 O\n0.843985 0.000000 0.415381 O\n",
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{
"id": "jvasp-112740",
"created_at": "2022-09-04T14:38:43.703538Z",
"updated_at": "2022-09-04T14:38:43.703565Z",
"structure_string": "Na8 Fe4 O12\n1.0\n5.123719 0.005368 -0.834579\n0.411839 8.614832 2.520278\n0.004695 -0.018902 5.560718\nNa Fe O\n8 4 12\ndirect\n0.749967 0.250032 0.499944 Na\n0.249973 0.750032 0.499949 Na\n-0.000002 0.999986 0.000010 Na\n0.500000 0.499986 0.000014 Na\n0.235761 0.078603 0.500054 Na\n0.735764 0.578604 0.500062 Na\n0.264197 0.421455 0.500024 Na\n0.764197 0.921455 0.500022 Na\n0.000900 0.333619 0.999997 Fe\n0.499117 0.166360 -0.000009 Fe\n0.500901 0.833620 1.000000 Fe\n0.999120 0.666360 -0.000005 Fe\n0.588161 0.033769 0.802301 O\n0.654509 0.345504 0.801322 O\n0.154511 0.845502 0.801326 O\n0.845507 0.154484 0.198669 O\n0.345510 0.654483 0.198676 O\n0.344720 0.277165 0.197682 O\n0.844723 0.777165 0.197686 O\n0.911864 0.466217 0.197683 O\n0.411863 0.966216 0.197682 O\n0.155290 0.222807 0.802306 O\n0.655294 0.722807 0.802309 O\n0.088164 0.533771 0.802304 O\n",
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{
"id": "jvasp-35905",
"created_at": "2022-09-04T14:37:34.843178Z",
"updated_at": "2022-09-04T14:37:34.843197Z",
"structure_string": "Ir2 N4\n1.0\n2.744606 0.000000 0.000000\n-1.372303 3.010588 -0.000000\n0.000000 0.000000 7.434965\nIr N\n2 4\ndirect\n0.728567 0.457129 0.250000 Ir\n0.271436 0.542871 0.749999 Ir\n1.002181 1.004358 0.414980 N\n-0.002178 -0.004357 0.585020 N\n-0.002178 -0.004357 0.914979 N\n1.002181 1.004358 0.085020 N\n",
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{
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"created_at": "2022-09-04T14:36:59.733934Z",
"updated_at": "2022-09-04T14:36:59.733956Z",
"structure_string": "Ca2 H4 C6 O8\n1.0\n4.212989 0.042592 0.616793\n0.777921 6.470778 0.409421\n0.160332 0.145143 7.551046\nCa H C O\n2 4 6 8\ndirect\n0.937535 0.913063 0.513474 Ca\n0.937535 0.913063 0.013474 Ca\n0.158530 0.353699 0.191011 H\n0.158531 0.353699 0.691012 H\n0.118973 0.430433 0.407896 H\n0.118974 0.430433 0.907896 H\n0.299673 0.396378 0.789454 C\n0.299674 0.396378 0.289454 C\n0.513542 0.201091 0.831883 C\n0.426452 0.595865 0.710311 C\n0.426453 0.595867 0.210310 C\n0.513544 0.201090 0.331883 C\n0.229661 0.760546 0.251428 O\n0.686751 0.601380 0.103608 O\n0.686750 0.601380 0.603609 O\n0.402537 0.082915 0.465006 O\n0.402539 0.082915 0.965005 O\n0.789580 0.148743 0.241879 O\n0.789579 0.148742 0.741880 O\n0.229662 0.760546 0.751427 O\n",
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{
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"created_at": "2022-09-04T14:38:44.487637Z",
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"structure_string": "H5 C7 S1 N1 O1\n1.0\n3.705881 0.024799 -0.142941\n-0.151684 5.432728 -0.135044\n-0.023286 -0.052322 7.629493\nH C S N O\n5 7 1 1 1\ndirect\n0.713153 0.153877 0.601570 H\n0.233152 0.838749 0.249195 H\n0.193247 0.852888 0.577691 H\n0.750066 0.140975 0.273640 H\n0.535760 0.726101 0.830851 H\n0.307983 0.695284 0.509845 C\n0.328075 0.688159 0.328610 C\n0.450085 0.503524 0.607797 C\n0.490269 0.488947 0.246966 C\n0.594792 0.298039 0.523514 C\n0.616395 0.290610 0.341019 C\n0.435113 0.396665 0.927441 C\n0.240690 0.119620 0.926330 S\n0.481140 0.546418 0.791768 N\n0.575985 0.525525 0.072577 O\n",
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{
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"updated_at": "2022-09-04T14:37:09.103405Z",
"structure_string": "Li4 Cr4 Si4 O16\n1.0\n4.708685 0.000000 0.000000\n0.000000 6.062744 0.000000\n0.000000 0.000000 10.043310\nLi Cr Si O\n4 4 4 16\ndirect\n0.022474 0.006534 0.216246 Li\n0.477527 0.006534 0.716246 Li\n0.522474 0.506534 0.283754 Li\n0.977527 0.506534 0.783754 Li\n-0.000000 0.256527 0.499999 Cr\n0.500000 0.256527 -0.000001 Cr\n0.500000 0.756527 0.000001 Cr\n0.000000 0.756527 0.500001 Cr\n0.921835 0.006528 0.907669 Si\n0.578166 0.006528 0.407669 Si\n0.421835 0.506528 0.592331 Si\n0.078166 0.506528 0.092331 Si\n0.778407 0.232443 0.848820 O\n0.770978 0.506527 0.582395 O\n0.729023 0.506527 0.082395 O\n0.721595 0.232443 0.348820 O\n0.721595 0.780609 0.348823 O\n0.750569 0.006529 0.558380 O\n0.249432 0.506529 0.441620 O\n0.221595 0.280610 0.151177 O\n0.278406 0.732442 0.651180 O\n0.270978 0.006527 0.917605 O\n0.229023 0.006527 0.417605 O\n0.221594 0.732442 0.151180 O\n0.778406 0.780609 0.848823 O\n0.250568 0.506529 0.941620 O\n0.278406 0.280610 0.651177 O\n0.749433 0.006529 0.058380 O\n",
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{
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"updated_at": "2022-09-04T14:36:59.825107Z",
"structure_string": "Ca1 H3 Pd1\n1.0\n3.713317 -0.000000 0.000000\n0.000000 3.713317 0.000000\n-0.000000 -0.000000 3.713317\nCa H Pd\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 -0.000000 H\n-0.000000 0.500000 -0.000000 H\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 Pd\n",
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}
]
}