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{
"id": "jvasp-116538",
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"structure_string": "Li1 Ce1 Mo2 O8\n1.0\n4.829343 -0.012713 -4.718226\n-0.864897 4.751280 -4.718226\n0.010636 0.012713 6.751599\nLi Ce Mo O\n1 1 2 8\ndirect\n0.750000 0.250000 0.499999 Li\n0.499999 0.500000 -0.000001 Ce\n0.250000 0.750000 0.499999 Mo\n0.000000 0.000000 0.000000 Mo\n0.402250 0.508287 0.585013 O\n0.923274 0.817236 0.414985 O\n0.066457 0.160843 0.397683 O\n0.763160 0.668774 0.602316 O\n0.839157 0.236839 0.905613 O\n0.331225 0.933543 0.094385 O\n0.182764 0.597750 0.106038 O\n0.491713 0.076726 0.893962 O\n",
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{
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"structure_string": "Mn1 Cd1 Cu4 Sn2 Se8\n1.0\n6.467969 -0.009862 2.917236\n3.836337 5.207421 2.917236\n0.003775 0.001904 11.686806\nMn Cd Cu Sn Se\n1 1 4 2 8\ndirect\n0.998897 0.001104 0.000000 Mn\n0.001863 -0.001862 0.500000 Cd\n0.749532 0.747343 0.879134 Cu\n0.749502 0.753711 0.370814 Cu\n0.252657 0.250470 0.120867 Cu\n0.246289 0.250499 0.629187 Cu\n0.501155 0.500464 0.753605 Sn\n0.499536 0.498846 0.246395 Sn\n0.605861 0.111578 0.699927 Se\n0.622466 0.105963 0.185616 Se\n0.104179 0.627618 0.947004 Se\n0.113471 0.600234 0.443848 Se\n0.372382 0.895822 0.052996 Se\n0.399767 0.886530 0.556153 Se\n0.888422 0.394140 0.300074 Se\n0.894038 0.377534 0.814384 Se\n",
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{
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"created_at": "2022-09-04T14:38:43.137178Z",
"updated_at": "2022-09-04T14:38:43.137206Z",
"structure_string": "Li5 Mn3 O8\n1.0\n4.805850 -0.015949 -1.432286\n-0.832904 4.848438 0.000961\n-0.008234 0.002533 5.685919\nLi Mn O\n5 3 8\ndirect\n0.494355 0.241315 0.868086 Li\n0.505646 0.758685 0.131913 Li\n0.495640 0.761523 0.618296 Li\n0.504362 0.238476 0.381704 Li\n0.000000 -0.000000 0.500001 Li\n0.000000 -0.000000 -0.000000 Mn\n0.000504 0.499567 0.256739 Mn\n-0.000503 0.500433 0.743261 Mn\n0.225471 0.861162 0.820350 O\n0.222597 0.366937 0.055572 O\n0.231113 0.392944 0.559169 O\n0.228234 0.862702 0.294278 O\n0.777405 0.633062 0.944428 O\n0.774530 0.138838 0.179650 O\n0.771767 0.137297 0.705722 O\n0.768889 0.607056 0.440831 O\n",
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{
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"created_at": "2022-09-04T14:38:43.135960Z",
"updated_at": "2022-09-04T14:38:43.135986Z",
"structure_string": "S1 I1 O1\n1.0\n4.432226 -0.000000 0.000000\n-2.216113 3.838421 -0.000000\n-0.000000 -0.000000 3.648181\nS I O\n1 1 1\ndirect\n0.666667 0.333333 0.000000 S\n0.000000 0.000000 0.000000 I\n0.333334 0.666666 0.000000 O\n",
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{
"id": "jvasp-114664",
"created_at": "2022-09-04T14:38:43.134614Z",
"updated_at": "2022-09-04T14:38:43.134643Z",
"structure_string": "Rb1 Tl1 Br3\n1.0\n5.769986 0.000000 0.000000\n-0.000000 5.769986 -0.000000\n0.000000 0.000000 5.769986\nRb Tl Br\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.500001 Tl\n0.000000 0.500001 0.500001 Br\n0.500001 0.000000 0.500001 Br\n0.500001 0.500001 0.000000 Br\n",
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{
"id": "jvasp-112041",
"created_at": "2022-09-04T14:38:43.131440Z",
"updated_at": "2022-09-04T14:38:43.131448Z",
"structure_string": "Sn1 H26 C14 O4\n1.0\n4.840366 0.063376 0.877390\n1.724636 7.341967 3.441067\n-0.000282 -0.055220 10.711415\nSn H C O\n1 26 14 4\ndirect\n0.577517 0.365438 0.175939 Sn\n0.407091 0.604168 0.624161 H\n0.751078 0.477488 0.346762 H\n0.569005 0.299171 0.440676 H\n0.785779 0.240315 0.975137 H\n0.432784 0.204036 0.033391 H\n0.537348 0.698780 0.714841 H\n0.366273 0.527177 0.355096 H\n0.527939 0.985141 0.504750 H\n0.191159 0.936880 0.563066 H\n0.271059 0.797972 0.374668 H\n0.561288 0.905566 0.309169 H\n0.823468 0.287808 0.582279 H\n0.476900 0.426800 0.922053 H\n0.212460 0.397160 0.626649 H\n0.234623 0.070360 0.708777 H\n0.503267 0.040314 0.897083 H\n0.530776 0.820714 0.902718 H\n0.590885 0.798446 0.127522 H\n0.068739 0.084350 0.864447 H\n0.871752 0.913375 0.068637 H\n0.786725 0.967402 0.693322 H\n0.633783 0.304026 0.734538 H\n0.968842 0.721105 0.553844 H\n0.852260 0.620148 0.463575 H\n0.997772 0.439177 0.766108 H\n0.046284 0.807750 0.806139 H\n0.770630 0.823919 0.050348 C\n-0.010520 0.433664 0.665472 C\n0.653929 0.909312 0.907200 C\n0.883776 0.937455 0.788218 C\n0.025185 0.091353 0.764787 C\n0.845384 0.623616 0.566045 C\n0.849176 0.281698 0.684194 C\n0.983996 0.643541 0.070763 C\n0.400081 0.890184 0.515792 C\n0.538634 0.697175 0.612040 C\n0.151351 0.090005 0.302173 C\n0.566078 0.426807 0.351647 C\n0.567847 0.299691 0.004828 C\n0.356483 0.908503 0.370545 C\n0.915564 0.092596 0.265535 O\n0.910517 0.517402 0.054853 O\n0.234332 0.628017 0.098678 O\n0.214690 0.234808 0.290254 O\n",
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{
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"structure_string": "Cd1 Cl2\n1.0\n4.058771 -0.000000 0.000000\n0.000000 4.058771 0.000000\n0.000000 0.000000 5.179633\nCd Cl\n1 2\ndirect\n0.500000 0.500000 0.500000 Cd\n-0.000000 0.500000 0.215870 Cl\n0.500000 0.000000 0.784130 Cl\n",
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{
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"structure_string": "H6 C12 S6 N2\n1.0\n3.819587 0.000546 -0.001351\n-0.002680 6.830271 -1.292167\n0.002545 0.018923 12.856148\nH C S N\n6 12 6 2\ndirect\n0.468343 0.534972 0.733741 H\n0.662267 0.145712 0.439351 H\n0.463280 0.872979 0.671070 H\n0.962268 0.241414 0.935989 H\n0.161723 0.968725 0.167678 H\n0.967310 0.579419 0.873304 H\n0.087215 0.552840 0.946076 C\n0.088605 0.371680 0.979271 C\n0.294106 0.906060 0.011322 C\n0.313173 0.232352 0.140437 C\n0.242508 0.700379 0.019467 C\n0.256226 0.377730 0.076451 C\n0.588166 0.561570 0.660967 C\n0.813676 0.882097 0.466582 C\n0.794928 0.208386 0.595700 C\n0.756924 0.736718 0.530584 C\n0.743309 0.414059 0.587564 C\n0.589515 0.742734 0.627777 C\n0.953494 0.158938 0.707588 S\n0.967212 0.820603 0.343782 S\n0.467150 0.293822 0.263206 S\n0.452441 0.955518 0.899420 S\n0.898274 0.500925 0.478265 S\n0.397701 0.613545 0.128755 S\n0.724500 0.080265 0.502335 N\n0.223845 0.034177 0.104688 N\n",
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{
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"structure_string": "Rb2 Ag1 Te1\n1.0\n4.649138 -3.264401 -0.735877\n4.649138 3.264401 -0.735877\n-3.737637 0.000000 5.353419\nRb Ag Te\n2 1 1\ndirect\n0.249995 0.249995 0.750024 Rb\n0.750005 0.750005 0.249975 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Te\n",
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"structure_string": "Ti1 H24 C13 O4\n1.0\n4.892578 0.018107 0.447287\n0.107315 6.342959 1.737824\n0.310317 0.350223 11.456363\nTi H C O\n1 24 13 4\ndirect\n0.943160 0.943092 0.843950 Ti\n0.542461 0.493762 0.170733 H\n0.482956 0.360270 0.064602 H\n0.708789 0.248836 0.503259 H\n0.972553 0.420013 0.106060 H\n0.407679 0.409381 0.509004 H\n0.294183 0.215673 0.326096 H\n0.934638 0.219820 0.345018 H\n0.838552 0.333970 0.864894 H\n0.183621 0.059392 0.135114 H\n0.235961 0.895300 0.281355 H\n0.066033 0.603706 0.769513 H\n0.036887 0.561459 0.208525 H\n0.669371 0.064076 0.211474 H\n0.806114 0.822441 0.194113 H\n0.843076 0.136722 0.010975 H\n0.926684 0.428224 0.632473 H\n0.642818 0.604715 0.628137 H\n0.069103 0.741424 0.476046 H\n0.159545 0.257637 0.927577 H\n0.116650 0.835371 0.637902 H\n0.642994 0.935523 0.434831 H\n0.512024 0.737539 0.383171 H\n0.378848 0.751354 0.739248 H\n0.997639 0.559039 0.397952 H\n0.398577 0.485519 0.105427 C\n0.811130 0.933410 0.249455 C\n0.112368 0.430281 0.172045 C\n0.112701 0.220596 0.276877 C\n0.102138 0.021315 0.232531 C\n0.702432 0.819192 0.383560 C\n0.427445 0.691797 0.002263 C\n0.766665 0.509785 0.576331 C\n0.584349 0.339643 0.557694 C\n0.480953 0.181348 0.677900 C\n0.157597 0.762590 0.733593 C\n0.957252 0.202206 0.919697 C\n0.901205 0.656905 0.455260 C\n0.676507 0.744312 0.958430 O\n0.667114 0.067289 0.741096 O\n0.221198 0.801067 0.964555 O\n0.230395 0.161849 0.712535 O\n",
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}