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{
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{
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"structure_string": "Li3 Al3 Si3 O12\n1.0\n5.281927 0.000000 -0.000000\n-2.640964 4.574283 0.000000\n0.000000 0.000000 11.454413\nLi Al Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.666667 Li\n0.000000 0.000000 0.333333 Li\n0.500000 0.500000 0.166667 Al\n0.000000 0.500000 0.833333 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 0.500000 0.666667 Si\n0.000000 0.500000 0.333333 Si\n0.500000 -0.000000 0.000000 Si\n0.204870 0.398237 0.744446 O\n0.806632 0.204869 0.411114 O\n0.398238 0.193368 0.077780 O\n0.806632 0.601762 0.255553 O\n0.193369 0.795130 0.411114 O\n0.795131 0.193368 0.922220 O\n0.601763 0.795130 0.588886 O\n0.193368 0.398237 0.255553 O\n0.204870 0.806631 0.922220 O\n0.398238 0.204869 0.588886 O\n0.795131 0.601762 0.744446 O\n0.601763 0.806631 0.077780 O\n",
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{
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"created_at": "2022-09-04T14:35:59.082658Z",
"updated_at": "2022-09-04T14:35:59.082676Z",
"structure_string": "Na3 Co2 Sb1 O6\n1.0\n5.283366 0.039020 -0.856228\n-2.808327 4.475353 -0.856228\n-0.003492 -0.006369 5.643681\nNa Co Sb O\n3 2 1 6\ndirect\n0.500000 0.499999 0.499998 Na\n0.176321 0.823678 0.499999 Na\n0.823678 0.176323 0.500000 Na\n0.338194 0.661805 0.999998 Co\n0.661806 0.338194 0.999998 Co\n0.000000 0.000000 0.000000 Sb\n0.067162 0.386483 0.206674 O\n0.246190 0.246189 0.790494 O\n0.753810 0.753809 0.209505 O\n0.386482 0.067162 0.206674 O\n0.613518 0.932836 0.793324 O\n0.932837 0.613517 0.793324 O\n",
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{
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"created_at": "2022-09-04T14:35:58.034131Z",
"updated_at": "2022-09-04T14:35:58.034161Z",
"structure_string": "P4 H4 S4 F8\n1.0\n9.129453 0.000000 -1.360184\n0.000000 4.267529 0.000000\n0.004990 0.000000 8.306532\nP H S F\n4 4 4 8\ndirect\n0.273574 0.029639 0.581958 P\n0.726426 0.529639 0.918042 P\n0.726426 0.970361 0.418042 P\n0.273574 0.470361 0.081958 P\n0.238332 0.804518 0.459185 H\n0.761668 0.304518 0.040815 H\n0.761668 0.195482 0.540815 H\n0.238332 0.695482 0.959185 H\n0.123096 0.248083 0.166472 S\n0.876903 0.748084 0.333528 S\n0.876903 0.751917 0.833528 S\n0.123096 0.251917 0.666472 S\n0.389014 0.239406 0.508168 F\n0.610986 0.739407 0.991832 F\n0.610986 0.760594 0.491833 F\n0.389014 0.260594 0.008168 F\n0.383913 0.842082 0.710712 F\n0.616087 0.342082 0.789288 F\n0.616087 0.157918 0.289288 F\n0.383913 0.657918 0.210712 F\n",
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{
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"structure_string": "Ti4 Fe2 P4 O20\n1.0\n6.404351 0.000000 -3.746255\n0.000000 7.385530 0.000000\n-0.062486 0.000000 7.470781\nTi Fe P O\n4 2 4 20\ndirect\n0.977573 0.273298 0.717060 Ti\n0.022426 0.726701 0.282940 Ti\n0.477574 0.226701 0.217060 Ti\n0.522425 0.773298 0.782940 Ti\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.748156 0.373425 -0.000840 P\n0.248156 0.126575 0.499159 P\n0.251844 0.626575 0.000841 P\n0.751844 0.873425 0.500841 P\n0.909324 -0.001564 0.680927 O\n0.845834 0.244763 0.908673 O\n0.920415 0.488551 0.175586 O\n0.590675 0.498436 0.819073 O\n0.272144 0.661831 0.496731 O\n0.579585 0.988551 0.324415 O\n0.864829 0.757373 0.418448 O\n0.227856 0.161831 0.003269 O\n0.345834 0.255237 0.408673 O\n0.409324 0.501564 0.180927 O\n0.079584 0.511449 0.824415 O\n0.772144 0.838169 0.996731 O\n0.654165 0.744763 0.591327 O\n0.090676 0.001564 0.319073 O\n0.135171 0.242627 0.581552 O\n0.727855 0.338169 0.503269 O\n0.635171 0.257373 0.081553 O\n0.364828 0.742627 0.918448 O\n0.154166 0.755237 0.091327 O\n0.420415 0.011449 0.675585 O\n",
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{
"id": "jvasp-98239",
"created_at": "2022-09-04T14:35:57.694332Z",
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"structure_string": "Na2 Ge4 P6 O24\n1.0\n7.176688 0.017722 4.786577\n2.570252 6.700670 4.786577\n0.025711 0.017722 8.626442\nNa Ge P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.351829 0.351829 0.351829 Ge\n0.648171 0.648170 0.648171 Ge\n0.143387 0.143387 0.143387 Ge\n0.856613 0.856613 0.856614 Ge\n0.249255 0.537243 0.965086 P\n0.537243 0.965086 0.249256 P\n0.965086 0.249255 0.537244 P\n0.750745 0.462756 0.034914 P\n0.462757 0.034913 0.750745 P\n0.034914 0.750744 0.462757 P\n0.475942 0.836592 0.775469 O\n0.378817 0.990144 0.198178 O\n0.009856 0.801823 0.621184 O\n0.801823 0.621183 0.009856 O\n0.621184 0.009855 0.801823 O\n0.163407 0.224531 0.524059 O\n0.224531 0.524058 0.163408 O\n0.524059 0.163407 0.224531 O\n0.836593 0.775468 0.475942 O\n0.775469 0.475941 0.836593 O\n0.883860 0.105070 0.748003 O\n0.806471 0.463889 0.512547 O\n0.748002 0.883860 0.105071 O\n0.116140 0.894929 0.251998 O\n0.894930 0.251997 0.116140 O\n0.251998 0.116139 0.894929 O\n0.198177 0.378816 0.990145 O\n0.463890 0.512546 0.806472 O\n0.512546 0.806471 0.463890 O\n0.193529 0.536110 0.487454 O\n0.536110 0.487454 0.193529 O\n0.487454 0.193528 0.536110 O\n0.105071 0.748002 0.883861 O\n0.990145 0.198177 0.378817 O\n",
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"created_at": "2022-09-04T14:36:04.460447Z",
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"structure_string": "La4 Mn2 Co2 O12\n1.0\n5.481237 0.000000 0.000000\n0.000000 5.513091 0.002616\n0.000000 0.007247 7.759563\nLa Mn Co O\n4 2 2 12\ndirect\n0.973919 0.004634 0.749810 La\n0.026082 0.995367 0.250190 La\n0.526083 0.504634 0.249811 La\n0.473918 0.495366 0.750189 La\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500001 0.500000 Mn\n0.000000 0.499999 0.000000 Co\n0.500000 0.999999 0.500000 Co\n0.493096 0.064413 0.244107 O\n0.993097 0.435587 0.255893 O\n0.772868 0.783963 0.034213 O\n0.717084 0.271348 0.965722 O\n0.217084 0.228652 0.534278 O\n0.282917 0.728651 0.034278 O\n0.782917 0.771349 0.465723 O\n0.727134 0.283962 0.534212 O\n0.227133 0.216038 0.965787 O\n0.272867 0.716038 0.465788 O\n0.506903 0.935586 0.755893 O\n0.006902 0.564414 0.744107 O\n",
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{
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"structure_string": "Li4 Sc4 Ge4 O16\n1.0\n5.005243 -0.000000 0.000000\n-0.000000 6.015771 0.000000\n0.000000 0.000000 10.716130\nLi Sc Ge O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.995838 0.750000 0.728967 Sc\n0.495838 0.250000 0.771033 Sc\n0.004162 0.250000 0.271033 Sc\n0.504162 0.750000 0.228967 Sc\n0.949863 0.750000 0.411241 Ge\n0.449863 0.250000 0.088759 Ge\n0.050137 0.250000 0.588759 Ge\n0.550136 0.750000 0.911241 Ge\n0.783604 0.972010 0.327423 O\n0.283605 0.027990 0.172577 O\n0.783604 0.527990 0.327423 O\n0.283605 0.472010 0.172577 O\n0.216395 0.027990 0.672577 O\n0.716395 0.972010 0.827423 O\n0.704677 0.750000 0.059696 O\n0.700790 0.250000 0.594907 O\n0.295322 0.250000 0.940304 O\n0.795322 0.750000 0.559696 O\n0.299210 0.750000 0.405093 O\n0.799209 0.250000 0.094907 O\n0.716395 0.527990 0.827423 O\n0.200790 0.750000 0.905093 O\n0.204678 0.250000 0.440304 O\n0.216395 0.472010 0.672577 O\n",
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"structure_string": "Sr4 Li4 Al12 N16\n1.0\n5.717118 -0.001366 1.340049\n1.200422 7.369480 0.835193\n-0.006210 -0.002375 9.974598\nSr Li Al N\n4 4 12 16\ndirect\n0.995724 0.866154 0.872598 Sr\n0.004276 0.133846 0.127402 Sr\n0.976795 0.615860 0.628439 Sr\n0.023204 0.384141 0.371561 Sr\n0.533362 0.674879 0.887140 Li\n0.466638 0.325121 0.112860 Li\n0.791900 0.818745 0.355312 Li\n0.208100 0.181255 0.644688 Li\n0.562214 0.202468 0.367210 Al\n0.437786 0.797532 0.632790 Al\n0.531141 0.438707 0.624727 Al\n0.819770 0.556838 0.100107 Al\n0.180230 0.443162 0.899893 Al\n0.468859 0.561293 0.375273 Al\n0.831215 0.292382 0.852616 Al\n0.174590 0.940250 0.398008 Al\n0.825410 0.059750 0.601992 Al\n0.552377 0.954301 0.123506 Al\n0.447623 0.045699 0.876494 Al\n0.168785 0.707618 0.147384 Al\n0.196979 0.708733 0.332952 N\n0.803021 0.291267 0.667048 N\n0.161894 0.475495 0.089226 N\n0.838106 0.524505 0.910774 N\n0.830917 0.795059 0.144375 N\n0.169083 0.204941 0.855625 N\n0.152210 0.932361 0.592446 N\n0.616759 0.916373 0.720692 N\n0.383241 0.083627 0.279308 N\n0.372601 0.354888 0.504728 N\n0.627399 0.645113 0.495272 N\n0.349928 0.866806 0.028024 N\n0.650072 0.133194 0.971976 N\n0.342582 0.591440 0.761618 N\n0.847790 0.067639 0.407554 N\n0.657418 0.408560 0.238382 N\n",
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"structure_string": "Li2 B12 H20 O4\n1.0\n4.463736 5.388645 0.022094\n-4.463736 5.388645 0.022094\n0.000000 3.479410 6.338312\nLi B H O\n2 12 20 4\ndirect\n0.361685 0.361685 0.516568 Li\n0.638315 0.638315 0.483431 Li\n0.798292 0.997148 0.221203 B\n0.949271 0.949271 0.810602 B\n0.823865 0.823865 0.084162 B\n0.176134 0.176134 0.915836 B\n0.090988 0.768694 0.968311 B\n0.050729 0.050729 0.189396 B\n0.909012 0.231305 0.031688 B\n0.768694 0.090988 0.968311 B\n0.997148 0.798292 0.221203 B\n0.201707 0.002851 0.778795 B\n0.002851 0.201707 0.778795 B\n0.231305 0.909012 0.031688 B\n0.603681 0.155403 0.946320 H\n0.087089 0.087089 0.322093 H\n0.912910 0.912910 0.677905 H\n0.698233 0.698233 0.145434 H\n0.301767 0.301767 0.854565 H\n0.155403 0.603681 0.946320 H\n0.396318 0.844596 0.053678 H\n0.844596 0.396318 0.053678 H\n0.992568 0.654111 0.379175 H\n0.721860 0.546523 0.830881 H\n0.007432 0.345889 0.620823 H\n0.654111 0.992568 0.379175 H\n0.453477 0.278140 0.169117 H\n0.546523 0.721860 0.830881 H\n0.278140 0.453477 0.169117 H\n0.757584 0.300958 0.376982 H\n0.699042 0.242416 0.623016 H\n0.242416 0.699042 0.623016 H\n0.300958 0.757584 0.376982 H\n0.345889 0.007432 0.620823 H\n0.376025 0.376025 0.242212 O\n0.337911 0.662089 0.499999 O\n0.662089 0.337911 0.499999 O\n0.623975 0.623975 0.757786 O\n",
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{
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