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{
"id": "jvasp-106879",
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{
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{
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"structure_string": "Fe6 O5 F7\n1.0\n-4.901829 4.901829 2.987936\n-0.226581 4.676741 -2.990406\n-4.676741 0.226581 -2.990406\nFe O F\n6 5 7\ndirect\n0.833333 0.663216 0.670118 Fe\n0.672060 0.322393 0.335275 Fe\n0.333332 0.696064 0.637271 Fe\n0.147320 0.344310 0.365738 Fe\n0.519347 0.967595 -0.010977 Fe\n-0.005394 0.998058 0.010940 Fe\n-0.006995 0.705578 0.313968 O\n-0.009082 0.303074 0.719209 O\n0.675747 0.614124 0.030261 O\n0.333332 0.988260 0.345075 O\n0.673661 0.019366 0.627756 O\n0.333332 0.382370 0.950964 F\n0.295080 0.902838 0.899364 F\n0.972010 0.236335 0.240171 F\n0.641584 0.567708 0.571751 F\n0.025081 0.761582 0.765627 F\n0.371586 0.433970 0.430497 F\n0.694657 0.093162 0.096997 F\n",
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{
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"structure_string": "Na2 H12 C2 N4 Cl2 O4\n1.0\n-0.000001 5.068541 0.000021\n6.426169 0.000000 -0.039771\n-3.136918 -2.534306 -8.713843\nNa H C N Cl O\n2 12 2 4 2 4\ndirect\n0.686651 0.737192 0.000525 Na\n0.686131 0.262811 0.999480 Na\n0.122652 0.457368 0.912833 H\n0.014062 0.109570 0.667371 H\n0.573962 0.538515 0.637977 H\n0.906086 0.667362 0.530178 H\n0.539198 0.883237 0.513147 H\n0.204230 0.953460 0.911093 H\n0.375924 0.332640 0.469826 H\n0.935979 0.461488 0.362030 H\n0.346675 0.890427 0.332622 H\n0.293137 0.046533 0.088905 H\n0.209828 0.542641 0.087163 H\n0.026065 0.116759 0.486850 H\n0.639374 0.668535 0.325498 C\n0.313894 0.331459 0.674503 C\n0.105669 0.169810 0.603339 N\n0.438250 0.400099 0.586477 N\n0.502306 0.830181 0.396657 N\n0.851755 0.599897 0.413527 N\n0.025712 0.107791 0.235887 Cl\n0.789815 0.892220 0.764113 Cl\n0.572750 0.584318 0.180233 O\n0.370002 -0.000004 -0.000000 O\n0.040024 0.500008 -0.000000 O\n0.392531 0.415678 0.819767 O\n",
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{
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"structure_string": "Ti1 V4 Co1 O12\n1.0\n6.685078 0.003938 -0.051766\n-0.707979 6.647485 0.051766\n-1.437021 1.291336 5.298433\nTi V Co O\n1 4 1 12\ndirect\n0.914198 0.914199 0.250000 Ti\n0.197479 0.603927 0.752083 V\n0.388977 0.800598 0.254093 V\n0.603926 0.197480 0.747917 V\n0.800598 0.388978 0.245907 V\n0.082237 0.082237 0.750000 Co\n0.816431 0.028620 0.862046 O\n0.622987 0.334690 0.437588 O\n0.635408 0.924402 0.249293 O\n0.657135 0.384513 0.938475 O\n0.334690 0.622988 0.062411 O\n0.186005 0.972556 0.129029 O\n0.384512 0.657136 0.561524 O\n0.924401 0.635408 0.250707 O\n0.087490 0.362356 0.777441 O\n0.028619 0.816432 0.637953 O\n0.362355 0.087490 0.722559 O\n0.972556 0.186005 0.370970 O\n",
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{
"id": "jvasp-46737",
"created_at": "2022-09-04T14:37:59.191262Z",
"updated_at": "2022-09-04T14:37:59.191280Z",
"structure_string": "Li5 Si2 Ni1 O8\n1.0\n3.643598 3.691907 0.017257\n-3.643598 3.691907 -0.017257\n0.028912 0.000000 6.224909\nLi Si Ni O\n5 2 1 8\ndirect\n0.172507 0.792947 0.490914 Li\n0.692159 0.692159 0.750000 Li\n0.331377 0.331377 0.250000 Li\n0.681185 0.681186 0.250000 Li\n0.792947 0.172507 0.009086 Li\n0.170169 0.816822 0.004626 Si\n0.816821 0.170170 0.495374 Si\n0.322252 0.322253 0.750000 Ni\n0.303530 0.688544 0.779947 O\n0.304608 0.699670 0.216782 O\n0.139226 0.225327 0.509493 O\n0.801204 0.858478 0.501063 O\n0.225327 0.139226 0.990508 O\n0.858478 0.801204 0.998938 O\n0.688543 0.303531 0.720053 O\n0.699670 0.304608 0.283218 O\n",
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{
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"created_at": "2022-09-04T14:38:00.619434Z",
"updated_at": "2022-09-04T14:38:00.619448Z",
"structure_string": "Li4 V2 O2 F6\n1.0\n4.816369 2.885201 -0.036934\n-4.816369 2.885201 0.036934\n-0.092551 0.000000 5.166363\nLi V O F\n4 2 2 6\ndirect\n0.343172 0.956781 0.759084 Li\n0.061048 0.656740 0.274920 Li\n0.956781 0.343172 0.740915 Li\n0.656740 0.061048 0.225080 Li\n0.612688 0.612688 0.750000 V\n0.350763 0.350763 0.250000 V\n0.295598 0.508592 0.939032 O\n0.508592 0.295598 0.560967 O\n0.735740 0.999165 0.885932 F\n0.994321 0.271415 0.388468 F\n0.479758 0.734218 0.423281 F\n0.734218 0.479758 0.076719 F\n0.999165 0.735740 0.614067 F\n0.271415 0.994321 0.111532 F\n",
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{
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"structure_string": "Li1 Fe2 P2 O8\n1.0\n2.397278 1.979262 -4.054612\n-2.397278 4.511628 -0.050636\n4.787206 2.525916 3.993778\nLi Fe P O\n1 2 2 8\ndirect\n0.501618 0.501618 -0.000000 Li\n0.991195 0.991194 -0.000000 Fe\n0.510356 0.510356 0.500000 Fe\n0.485063 0.013401 0.252222 P\n0.013401 0.485063 0.747779 P\n0.561130 0.706672 0.254610 O\n0.136498 0.574697 0.554997 O\n0.626606 0.121375 0.067880 O\n0.185804 0.085589 0.223899 O\n0.085589 0.185804 0.776102 O\n0.121376 0.626606 0.932121 O\n0.574696 0.136498 0.445004 O\n0.706672 0.561129 0.745390 O\n",
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{
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"structure_string": "Li2 Al2 Fe1 O6\n1.0\n4.888601 0.007493 0.005228\n2.441186 4.235456 -0.005228\n-0.833646 1.440141 4.787995\nLi Al Fe O\n2 2 1 6\ndirect\n0.503024 0.503023 0.500001 Li\n0.845526 0.845525 0.500001 Li\n0.328279 0.328279 -0.000000 Al\n0.664217 0.664216 -0.000000 Al\n-0.000820 -0.000820 0.000000 Fe\n0.069617 0.603450 0.211932 O\n0.258482 0.730229 0.790981 O\n0.603449 0.069616 0.788069 O\n0.408995 0.921227 0.206601 O\n0.730229 0.258481 0.209020 O\n0.921227 0.408993 0.793400 O\n",
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{
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"structure_string": "Li1 Ti1 V3 O10\n1.0\n6.596422 0.045765 0.121048\n0.045765 6.596422 -0.121048\n0.083620 -0.083620 4.516637\nLi Ti V O\n1 1 3 10\ndirect\n0.499252 0.999251 -0.000000 Li\n0.751373 0.251373 0.500001 Ti\n0.250319 0.750319 0.500000 V\n0.252408 0.250217 0.624384 V\n0.750218 0.752408 0.375617 V\n0.031627 0.759046 0.300540 O\n0.273772 0.224040 0.265135 O\n0.259047 0.531627 0.699460 O\n0.260324 0.959955 0.739122 O\n0.459956 0.760324 0.260878 O\n0.524215 0.235999 0.742585 O\n0.735998 0.024216 0.257417 O\n0.743701 0.483757 0.286932 O\n0.724039 0.773772 0.734866 O\n0.983757 0.243701 0.713069 O\n",
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{
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"updated_at": "2022-09-04T14:38:01.498108Z",
"structure_string": "Li4 Ti2 Ni4 O10\n1.0\n-2.892173 3.455412 2.432031\n-1.462651 2.458810 -7.117027\n-2.925313 -3.411190 -2.400899\nLi Ti Ni O\n4 2 4 10\ndirect\n0.500016 0.603421 0.698280 Li\n-0.000004 0.404189 0.797904 Li\n0.499995 0.794588 0.102696 Li\n0.000003 0.197326 0.401339 Li\n0.500005 0.196450 0.901781 Ti\n0.000006 0.596065 0.201976 Ti\n0.499995 0.991066 0.504471 Ni\n-0.000001 0.001537 0.999237 Ni\n-0.000004 0.795991 0.602002 Ni\n0.499996 0.404737 0.297622 Ni\n0.746760 0.401975 0.051711 O\n0.763125 0.794855 0.853787 O\n0.233819 0.600461 0.965593 O\n0.734394 0.198960 0.659954 O\n0.766167 0.600463 0.433939 O\n0.236874 0.794854 0.351365 O\n0.257780 0.011063 0.754430 O\n0.253240 0.401977 0.546313 O\n0.742222 0.011062 0.234513 O\n0.265597 0.198962 0.141082 O\n",
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{
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"created_at": "2022-09-04T14:38:01.885698Z",
"updated_at": "2022-09-04T14:38:01.885728Z",
"structure_string": "Li3 Co2 Si2 O8\n1.0\n0.063540 -5.158264 -0.248357\n5.158166 -0.069312 -0.248358\n0.033647 -0.033685 6.617543\nLi Co Si O\n3 2 2 8\ndirect\n0.573884 0.093552 0.554541 Li\n0.906444 0.426109 0.445460 Li\n0.137381 0.862618 0.499997 Li\n0.812362 0.187637 -0.000001 Co\n0.198534 0.801467 -0.000002 Co\n0.333714 0.326595 0.251660 Si\n0.673407 0.666287 0.748336 Si\n0.190452 0.177540 0.047633 O\n0.651131 0.279755 0.245807 O\n0.230161 0.208682 0.454320 O\n0.720244 0.348867 0.754191 O\n0.242477 0.635231 0.244862 O\n0.791320 0.769838 0.545678 O\n0.364774 0.757528 0.755135 O\n0.822462 0.809548 0.952365 O\n",
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]
}