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{
"id": "jvasp-122010",
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"structure_string": "Li7 Co5 O12\n1.0\n14.021765 0.000995 2.330816\n13.733696 2.827632 2.330816\n0.002206 0.000225 4.911518\nLi Co O\n7 5 12\ndirect\n0.250009 0.250007 0.749838 Li\n0.420576 0.420573 0.916787 Li\n0.579425 0.579426 0.083216 Li\n0.923423 0.923423 0.429527 Li\n0.076578 0.076576 0.570475 Li\n0.749992 0.749992 0.250165 Li\n0.500000 0.500000 0.500001 Li\n0.666790 0.666789 0.662469 Co\n0.333211 0.333210 0.337533 Co\n0.833334 0.833332 0.837172 Co\n0.000000 0.000000 0.000000 Co\n0.166667 0.166667 0.162830 Co\n0.960801 0.960800 0.736011 O\n0.368888 0.368886 0.636014 O\n0.537567 0.537566 0.808651 O\n0.703526 0.703524 0.961583 O\n0.039200 0.039199 0.263991 O\n0.203636 0.203634 0.460576 O\n0.868265 0.868266 0.138306 O\n0.131736 0.131733 0.861696 O\n0.296475 0.296475 0.038419 O\n0.462433 0.462434 0.191351 O\n0.796365 0.796365 0.539426 O\n0.631113 0.631113 0.363988 O\n",
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{
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"structure_string": "Zn1 H14 C9 O4\n1.0\n3.920133 0.237120 0.450905\n1.440848 4.475336 0.343462\n-0.030247 0.003762 13.198553\nZn H C O\n1 14 9 4\ndirect\n0.817327 0.804785 0.826163 Zn\n0.639420 0.161092 0.394211 H\n0.820101 0.705494 0.122721 H\n0.225849 0.696502 0.168876 H\n0.578199 0.675876 0.314093 H\n0.004266 0.637427 0.354260 H\n0.067410 0.118967 0.433154 H\n0.335023 0.616973 0.503892 H\n0.170800 0.236837 0.022802 H\n0.582931 0.217104 0.068923 H\n0.888291 0.202989 0.210542 H\n0.312113 0.171155 0.250212 H\n0.430126 0.081859 0.576025 H\n0.848339 0.052177 0.616101 H\n0.763567 0.580451 0.542406 H\n0.358131 0.580351 0.961402 C\n0.311529 0.375022 0.050846 C\n0.089312 0.550371 0.144303 C\n0.041614 0.337983 0.233358 C\n0.608400 0.450638 0.517277 C\n0.797364 0.290713 0.418223 C\n0.577607 0.218861 0.601394 C\n0.375310 0.344627 0.702202 C\n0.847548 0.506364 0.330556 C\n0.089759 0.825917 0.941444 O\n0.423675 0.174597 0.782812 O\n0.142684 0.619277 0.702320 O\n0.665606 0.498280 0.908442 O\n",
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{
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"structure_string": "Li1 Co1 O2\n1.0\n2.719107 -0.002637 4.091454\n1.233611 2.423171 4.091454\n-0.004307 -0.002637 4.912589\nLi Co O\n1 1 2\ndirect\n0.500000 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.260021 0.260020 0.260021 O\n0.739979 0.739977 0.739979 O\n",
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{
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"updated_at": "2022-09-04T14:38:41.822774Z",
"structure_string": "Li8 Co6 O14\n1.0\n16.334185 0.055172 -0.302154\n16.078832 2.877463 -0.302154\n-0.114414 -0.010352 4.927111\nLi Co O\n8 6 14\ndirect\n0.930709 0.930706 0.145350 Li\n0.358736 0.358735 0.279185 Li\n0.786148 0.786145 0.425786 Li\n0.213854 0.213853 0.574215 Li\n0.641266 0.641264 0.720816 Li\n0.500001 0.499999 0.000001 Li\n0.069292 0.069293 0.854651 Li\n-0.000000 0.000000 0.500000 Li\n0.714346 0.714343 0.073864 Co\n0.285656 0.285656 0.926137 Co\n0.142992 0.142991 0.220160 Co\n0.569726 0.569724 0.364661 Co\n0.430275 0.430274 0.635340 Co\n0.857010 0.857007 0.779841 Co\n0.609879 0.609877 0.073122 O\n0.180289 0.180289 0.924990 O\n0.751366 0.751363 0.777724 O\n0.322469 0.322468 0.629683 O\n0.893969 0.893966 0.489770 O\n0.106033 0.106033 0.510231 O\n0.539024 0.539022 0.661981 O\n0.248636 0.248635 0.222278 O\n0.819713 0.819709 0.075011 O\n0.390123 0.390122 0.926879 O\n0.959813 0.959810 0.802707 O\n0.460978 0.460976 0.338020 O\n0.677533 0.677531 0.370318 O\n0.040188 0.040189 0.197294 O\n",
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{
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"structure_string": "Li7 Co5 O12\n1.0\n2.832241 -0.018899 0.029892\n0.030116 4.927708 0.160825\n-0.152303 -0.308765 13.936524\nLi Co O\n7 5 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.500043 0.830717 0.161823 Li\n-0.000108 0.671753 0.330102 Li\n0.500001 0.500001 0.500000 Li\n0.000110 0.328249 0.669898 Li\n0.499959 0.169285 0.838176 Li\n0.500001 0.500000 -0.000000 Li\n0.000000 0.000000 0.500000 Co\n0.499893 0.170752 0.333564 Co\n0.500109 0.829249 0.666436 Co\n0.000176 0.659435 0.837341 Co\n-0.000173 0.340566 0.162658 Co\n0.500067 0.526511 0.752676 O\n0.500282 0.816666 0.906280 O\n-0.000080 0.648366 0.091068 O\n0.499935 0.473490 0.247324 O\n-0.000003 0.308984 0.413972 O\n0.500137 0.137135 0.579572 O\n0.000221 0.964848 0.743753 O\n0.499720 0.183336 0.093719 O\n-0.000219 0.035153 0.256246 O\n0.499865 0.862866 0.420427 O\n0.000005 0.691017 0.586027 O\n0.000082 0.351635 0.908932 O\n",
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{
"id": "jvasp-112907",
"created_at": "2022-09-04T14:38:45.417487Z",
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"structure_string": "Li6 Co4 O10\n1.0\n2.827960 -0.044710 0.015091\n-1.337120 4.663075 -0.953561\n-0.067216 -0.057807 12.371083\nLi Co O\n6 4 10\ndirect\n0.399925 0.299650 0.296638 Li\n-0.000001 0.500000 0.500000 Li\n0.600074 0.700350 0.703362 Li\n0.195457 0.891157 0.909160 Li\n0.804542 0.108843 0.090840 Li\n0.500000 0.500000 0.000000 Li\n0.699994 0.899980 0.399911 Co\n0.300005 0.100021 0.600089 Co\n0.101091 0.702268 0.195119 Co\n0.898908 0.297732 0.804881 Co\n0.847229 0.194506 0.937117 O\n0.736147 0.972117 0.254332 O\n0.335699 0.171135 0.451717 O\n0.933464 0.366711 0.650957 O\n0.531240 0.562157 0.842465 O\n0.152770 0.805495 0.062883 O\n0.066535 0.633290 0.349042 O\n0.664300 0.828865 0.548282 O\n0.263852 0.027884 0.745668 O\n0.468759 0.437844 0.157534 O\n",
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{
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"created_at": "2022-09-04T14:36:48.135075Z",
"updated_at": "2022-09-04T14:36:48.135101Z",
"structure_string": "Zn1 H12 C8 O4\n1.0\n3.843271 0.171676 0.255119\n1.646673 4.414282 0.172452\n-0.411211 0.202999 12.132880\nZn H C O\n1 12 8 4\ndirect\n0.560341 0.947015 0.187997 Zn\n0.385813 0.660777 0.493966 H\n0.697477 0.696744 0.920672 H\n0.207482 0.821219 0.932570 H\n0.557602 0.692317 0.702785 H\n0.080463 0.769199 0.735164 H\n0.637121 0.189124 0.622337 H\n0.921398 0.714730 0.535443 H\n0.753564 0.215773 0.828819 H\n0.277308 0.290127 0.857794 H\n0.494217 0.138072 0.421993 H\n0.048265 0.173323 0.469995 H\n0.171813 0.246497 0.662070 H\n0.501638 0.460055 0.044956 C\n0.469594 0.610699 0.930871 C\n0.472453 0.404619 0.836698 C\n0.361701 0.579769 0.726118 C\n0.208784 0.537272 0.524024 C\n0.207535 0.310783 0.437996 C\n0.035936 0.442839 0.327569 C\n0.351662 0.370543 0.634399 C\n0.402186 0.629184 0.128402 O\n0.080925 0.260083 0.249293 O\n0.838164 0.732706 0.319561 O\n0.616926 0.165768 0.051615 O\n",
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{
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{
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"structure_string": "Li4 Fe2 O6\n1.0\n4.895912 -0.003513 0.000718\n-2.440447 4.244314 0.001082\n-0.831072 -1.435623 4.687639\nLi Fe O\n4 2 6\ndirect\n0.507449 0.007844 0.000277 Li\n0.007436 0.507707 0.500215 Li\n0.168658 0.346609 0.000188 Li\n0.846283 0.668989 0.000195 Li\n0.340613 0.174519 0.500227 Fe\n0.674232 0.840904 0.500227 Fe\n0.726954 0.227243 0.728292 O\n0.287891 0.788183 0.272155 O\n0.440564 0.583518 0.723831 O\n0.931610 0.074575 0.276629 O\n0.574295 0.431905 0.276634 O\n0.083226 0.940828 0.723823 O\n",
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{
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"updated_at": "2022-09-04T14:37:35.860970Z",
"structure_string": "Mg1 H2 O2\n1.0\n3.162452 0.000046 -0.004349\n-1.581186 2.738694 0.000000\n0.006023 0.003477 4.684992\nMg H O\n1 2 2\ndirect\n-0.000000 0.061433 -0.000000 Mg\n0.333399 0.728218 0.568612 H\n0.666598 0.394819 0.431388 H\n0.333347 0.728133 0.776482 O\n0.666650 0.394784 0.223517 O\n",
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},
{
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"created_at": "2022-09-04T14:35:47.867859Z",
"updated_at": "2022-09-04T14:35:47.867885Z",
"structure_string": "Li4 Co4 O8\n1.0\n5.683596 0.046209 -0.009672\n-0.046544 5.683564 -0.009298\n-2.811769 -2.858268 4.028836\nLi Co O\n4 4 8\ndirect\n0.500001 0.000000 0.500001 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500001 0.500000 0.500001 Li\n0.000000 0.500000 -0.000000 Co\n0.000000 0.000000 0.500001 Co\n0.500001 0.500000 -0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.240004 0.720031 0.979998 O\n0.239989 0.259973 0.980000 O\n0.779972 0.259998 0.520007 O\n0.240027 0.260013 0.520005 O\n0.759975 0.739986 0.479996 O\n0.220030 0.740002 0.479994 O\n0.760013 0.740026 0.020001 O\n0.759997 0.279968 0.020003 O\n",
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{
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"created_at": "2022-09-04T14:36:53.046792Z",
"updated_at": "2022-09-04T14:36:53.046807Z",
"structure_string": "Zn1 H14 C9 O4\n1.0\n3.899228 -0.239244 -0.615282\n-1.484146 4.478910 0.058180\n-0.407759 0.233082 13.338079\nZn H C O\n1 14 9 4\ndirect\n0.295100 0.757731 0.172341 Zn\n0.901265 0.114466 0.604139 H\n0.995165 0.659410 0.875634 H\n0.543417 0.650788 0.829458 H\n0.045566 0.629418 0.684227 H\n0.579715 0.592161 0.644030 H\n0.434872 0.073917 0.565044 H\n0.098629 0.570136 0.494494 H\n0.743698 0.190873 0.975550 H\n0.285590 0.171482 0.929408 H\n0.837401 0.156960 0.787824 H\n0.374224 0.125901 0.748057 H\n-0.072270 0.034478 0.422513 H\n0.470562 0.007186 0.381976 H\n0.632080 0.535028 0.455777 H\n0.618775 0.534185 0.037010 C\n0.575281 0.329192 0.947513 C\n0.704126 0.504552 0.854044 C\n0.661939 0.292292 0.764958 C\n0.811324 0.404578 0.481011 C\n0.720456 0.244848 0.580063 C\n0.756774 0.172694 0.396928 C\n0.860029 0.297952 0.296210 C\n0.759261 0.460553 0.667747 C\n0.907479 0.779528 0.057008 O\n0.732167 0.127565 0.215699 O\n0.092756 0.572476 0.296096 O\n0.364469 0.451924 0.090021 O\n",
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}
]
}