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{
"id": "jvasp-50904",
"created_at": "2022-09-04T14:37:13.971186Z",
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"structure_string": "Lu4 Ti2 O10\n1.0\n0.000000 4.008070 0.000412\n10.323498 0.000000 0.000000\n0.000000 -2.002736 -5.371946\nLu Ti O\n4 2 10\ndirect\n0.856828 0.068641 0.713755 Lu\n0.856828 0.431359 0.713755 Lu\n0.143172 0.931359 0.286246 Lu\n0.143172 0.568641 0.286246 Lu\n0.826660 0.750000 0.653357 Ti\n0.173340 0.250000 0.346644 Ti\n0.949980 0.622129 0.900106 O\n0.949980 0.877872 0.900106 O\n0.293085 0.088326 0.586214 O\n0.293085 0.411674 0.586214 O\n0.729301 0.250000 0.458574 O\n0.270699 0.750000 0.541427 O\n0.706915 0.911674 0.413787 O\n0.706915 0.588326 0.413787 O\n0.050020 0.377872 0.099895 O\n0.050020 0.122128 0.099895 O\n",
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"structure_string": "Ba6 B2 P2 O6\n1.0\n2.778755 -4.812945 -0.000000\n2.778755 4.812945 0.000000\n0.000000 -0.000000 13.543918\nBa B P O\n6 2 2 6\ndirect\n0.333334 0.666668 0.597325 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.250000 Ba\n0.666668 0.333334 0.097325 Ba\n0.666668 0.333334 0.402676 Ba\n0.333334 0.666668 0.902676 Ba\n0.666668 0.333334 0.750000 B\n0.333334 0.666668 0.250000 B\n0.000000 0.000000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.478271 0.521731 0.250000 O\n0.521731 0.043462 0.750000 O\n0.521731 0.478271 0.750000 O\n0.043462 0.521731 0.250000 O\n0.478271 0.956540 0.250000 O\n0.956540 0.478271 0.750000 O\n",
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"structure_string": "Ca2 Si2 Sn2 O10\n1.0\n5.462041 0.016370 -1.319012\n-1.970658 5.094181 -1.319012\n-0.018214 -0.026661 7.205002\nCa Si Sn O\n2 2 2 10\ndirect\n0.838090 0.161910 0.250000 Ca\n0.161910 0.838090 0.750000 Ca\n0.818513 0.181488 0.750000 Si\n0.181487 0.818512 0.250000 Si\n0.500000 0.500000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.399235 0.825128 0.129264 O\n0.174871 0.600764 0.370736 O\n0.600765 0.174872 0.870736 O\n0.825129 0.399236 0.629264 O\n0.759878 0.893358 0.584872 O\n0.106643 0.240122 0.915128 O\n0.589841 0.410159 0.250000 O\n0.410159 0.589842 0.750000 O\n0.893358 0.759878 0.084872 O\n0.240122 0.106642 0.415128 O\n",
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{
"id": "jvasp-10695",
"created_at": "2022-09-04T14:37:12.720696Z",
"updated_at": "2022-09-04T14:37:12.720718Z",
"structure_string": "Ba4 Li2 Re2 N8\n1.0\n0.000000 6.554247 -0.015595\n6.030661 0.000000 0.000000\n0.000000 -2.552557 -7.079889\nBa Li Re N\n4 2 2 8\ndirect\n0.265984 0.250000 0.945752 Ba\n0.734017 0.750000 0.054249 Ba\n0.812216 0.750000 0.579257 Ba\n0.187784 0.250000 0.420743 Ba\n0.348630 0.750000 0.634776 Li\n0.651370 0.250000 0.365225 Li\n0.706187 0.250000 0.785433 Re\n0.293813 0.750000 0.214567 Re\n0.471772 0.506671 0.266397 N\n0.528228 0.006671 0.733603 N\n0.528228 0.493329 0.733603 N\n0.471772 0.993329 0.266397 N\n0.119872 0.750000 0.367538 N\n0.880129 0.250000 0.632463 N\n0.127907 0.750000 0.964434 N\n0.872094 0.250000 0.035567 N\n",
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{
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"created_at": "2022-09-04T14:37:13.574387Z",
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"structure_string": "Zn1 H6 C5 O4\n1.0\n4.331670 0.000553 0.652302\n1.914625 4.419074 1.051339\n0.164967 -0.175734 7.493478\nZn H C O\n1 6 5 4\ndirect\n0.518107 0.279592 0.724520 Zn\n0.219836 0.630682 0.405074 H\n0.978795 0.025993 0.394373 H\n0.456491 0.110732 0.173247 H\n0.896611 0.565930 0.234817 H\n0.211047 -0.028441 0.088192 H\n0.650265 0.447557 0.133512 H\n0.424226 0.874688 0.523674 C\n0.235373 0.851491 0.380295 C\n0.397744 0.911561 0.185103 C\n0.712189 0.642591 0.132841 C\n0.908896 0.685366 0.948280 C\n0.607104 0.645256 0.626772 O\n0.398507 0.141825 0.529162 O\n0.868548 0.945228 0.858466 O\n0.128898 0.439477 0.900603 O\n",
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{
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"created_at": "2022-09-04T14:37:14.048453Z",
"updated_at": "2022-09-04T14:37:14.048476Z",
"structure_string": "H4 C4 S4 N4\n1.0\n4.381752 0.089829 -0.311855\n-0.150063 4.283119 -0.068228\n-0.258016 0.095076 10.935249\nH C S N\n4 4 4 4\ndirect\n0.227659 0.434502 0.660698 H\n0.227666 0.434490 0.160698 H\n0.883911 0.932930 0.852818 H\n0.883918 0.932918 0.352819 H\n0.966460 0.381660 0.803138 C\n0.966466 0.381650 0.303139 C\n0.144990 0.882597 0.210337 C\n0.144984 0.882606 0.710337 C\n0.356675 0.004770 0.100262 S\n0.356672 0.004781 0.600262 S\n0.754214 0.501736 0.912983 S\n0.754220 0.501724 0.412983 S\n0.109609 0.562284 0.722751 N\n0.109616 0.562274 0.222751 N\n0.002077 0.061911 0.790800 N\n0.002084 0.061901 0.290800 N\n",
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{
"id": "jvasp-21804",
"created_at": "2022-09-04T14:38:26.963874Z",
"updated_at": "2022-09-04T14:38:26.963905Z",
"structure_string": "Mn10 B4 P2\n1.0\n4.969907 -0.000000 -2.320929\n-1.083795 4.850319 -2.320777\n-0.067017 -0.083433 6.338096\nMn B P\n10 4 2\ndirect\n0.698255 0.198245 0.723113 Mn\n0.975139 0.475125 0.276886 Mn\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 -0.000000 Mn\n0.024862 0.524875 0.723114 Mn\n0.198252 0.024875 0.723114 Mn\n0.524858 0.698245 0.723113 Mn\n0.801749 0.975125 0.276886 Mn\n0.475143 0.301756 0.276887 Mn\n0.301746 0.801756 0.276887 Mn\n0.375629 0.875637 -0.000001 B\n0.124372 0.375637 -0.000001 B\n0.875630 0.624363 0.000001 B\n0.624372 0.124363 0.000001 B\n0.750000 0.750000 0.500000 P\n0.250001 0.250000 0.500000 P\n",
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{
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"updated_at": "2022-09-04T14:38:08.822983Z",
"structure_string": "K2 Sn4 I10\n1.0\n7.953833 0.000000 -3.954479\n-1.966084 7.707009 -3.954479\n-0.024433 -0.031448 9.927060\nK Sn I\n2 4 10\ndirect\n0.250000 0.250000 0.500000 K\n0.750000 0.750000 0.500000 K\n0.170673 0.670673 0.000000 Sn\n0.329327 0.170673 -0.000000 Sn\n0.670673 0.829328 -0.000000 Sn\n0.829327 0.329328 -0.000000 Sn\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 -0.000000 I\n0.517078 0.017078 0.719333 I\n0.702255 0.517078 0.719333 I\n0.017078 0.202255 0.719333 I\n0.297745 0.482922 0.280667 I\n0.982922 0.797745 0.280667 I\n0.797745 0.297745 0.280667 I\n0.482923 0.982922 0.280667 I\n0.202256 0.702255 0.719333 I\n",
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"structure_string": "Nd2 Pd6 S8\n1.0\n6.758997 -0.000000 -0.000000\n0.000000 6.758997 -0.000000\n0.000000 -0.000000 6.758997\nNd Pd S\n2 6 8\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.750000 0.000000 0.500000 Pd\n0.500000 0.750000 0.000000 Pd\n0.000000 0.500000 0.750000 Pd\n0.000000 0.500000 0.250000 Pd\n0.250000 0.000000 0.500000 Pd\n0.500000 0.250000 0.000000 Pd\n0.750000 0.250000 0.250000 S\n0.250000 0.250000 0.750000 S\n0.250000 0.750000 0.250000 S\n0.750000 0.750000 0.750000 S\n0.250000 0.750000 0.750000 S\n0.750000 0.750000 0.250000 S\n0.250000 0.250000 0.250000 S\n0.750000 0.250000 0.750000 S\n",
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"structure_string": "Ca4 V4 O8\n1.0\n3.068166 0.006099 0.001879\n1.526574 8.624438 -0.435374\n1.529160 0.068035 8.325349\nCa V O\n4 4 8\ndirect\n0.383302 0.311355 0.923205 Ca\n0.592639 0.716842 0.096879 Ca\n0.837042 0.089758 0.238723 Ca\n0.138903 0.938441 0.781363 Ca\n0.831872 0.600767 0.735109 V\n0.587858 0.248565 0.577608 V\n0.388147 0.779641 0.442478 V\n0.144044 0.427440 0.284970 V\n0.547204 0.570395 0.334877 O\n0.790489 0.801853 0.615398 O\n0.185468 0.226351 0.404687 O\n0.428719 0.457807 0.685211 O\n0.210693 0.688878 0.888892 O\n0.036517 0.194770 0.734446 O\n0.765237 0.339323 0.131190 O\n0.939469 0.833429 0.285637 O\n",
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{
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"structure_string": "K2 Tb4 Cu2 S8\n1.0\n3.960971 -0.000000 0.000000\n-1.980485 6.722748 -0.000000\n0.000000 0.000000 13.728220\nTb K Cu S\n4 2 2 8\ndirect\n0.365803 0.731604 0.936631 Tb\n0.634199 0.268397 0.436631 Tb\n0.365803 0.731604 0.563369 Tb\n0.634199 0.268397 0.063369 Tb\n0.889899 0.779798 0.250000 K\n0.110102 0.220202 0.750000 K\n0.838283 0.676565 0.750000 Cu\n0.161718 0.323435 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.264532 0.529063 0.111861 S\n0.735470 0.470937 0.888139 S\n0.433687 0.867371 0.750000 S\n0.264532 0.529063 0.388139 S\n0.566315 0.132629 0.250000 S\n0.735470 0.470937 0.611861 S\n",
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"structure_string": "Li4 H8 N4\n1.0\n3.967154 -0.000000 0.000000\n0.000000 4.629164 0.000000\n0.000000 -0.000000 5.430160\nLi H N\n4 8 4\ndirect\n0.250000 0.628553 0.120479 Li\n0.250000 0.128553 0.379521 Li\n0.749999 0.371446 0.879521 Li\n0.749999 0.871446 0.620479 Li\n0.250000 0.242996 0.822234 H\n0.250000 0.742995 0.677766 H\n0.749999 0.757004 0.177766 H\n0.749999 0.257004 0.322234 H\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 H\n0.500000 0.000000 -0.000000 H\n-0.000000 0.500000 0.500000 H\n0.250000 0.197715 0.008376 N\n0.250000 0.697715 0.491624 N\n0.749999 0.802284 -0.008376 N\n0.749999 0.302284 0.508376 N\n",
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]
}