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{
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"structure_string": "Sb4 O4 F12\n1.0\n8.528462 0.000000 -0.000000\n-0.000000 8.528462 -0.000000\n0.000000 0.000000 3.761222\nSb O F\n4 4 12\ndirect\n0.642424 0.142424 0.749952 Sb\n0.142424 0.357576 0.250047 Sb\n0.857576 0.642424 0.250047 Sb\n0.357576 0.857576 0.749952 Sb\n0.618309 0.118309 0.249953 O\n0.118309 0.381691 0.750047 O\n0.881691 0.618309 0.750047 O\n0.381691 0.881691 0.249953 O\n0.876748 0.862800 0.250090 F\n0.376748 0.637200 0.749910 F\n0.637200 0.623252 0.250090 F\n0.102682 0.602682 0.250022 F\n0.897318 0.397318 0.250022 F\n0.862800 0.123252 0.749910 F\n0.623252 0.362800 0.749910 F\n0.123252 0.137200 0.250090 F\n0.137200 0.876748 0.749910 F\n0.397318 0.102682 0.749978 F\n0.362800 0.376748 0.250090 F\n0.602682 0.897318 0.749978 F\n",
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{
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"structure_string": "Mg2 H4 C6 O8\n1.0\n4.430871 0.003373 -1.560805\n-0.597716 5.623625 -1.682741\n-0.032265 -0.019033 6.977235\nMg H C O\n2 4 6 8\ndirect\n0.522574 0.482781 0.185362 Mg\n0.030327 0.982790 0.185360 Mg\n0.847332 0.511885 0.715282 H\n0.937631 0.812336 0.694732 H\n0.124640 0.312323 0.694720 H\n0.235547 0.011894 0.715283 H\n0.171621 0.826060 0.698703 C\n0.894630 0.326050 0.698702 C\n0.400785 0.789520 0.896471 C\n0.183348 0.699819 0.479697 C\n0.663879 0.199817 0.479698 C\n0.863226 0.289518 0.896478 C\n0.406677 0.110598 0.454532 O\n0.743969 0.213605 0.321745 O\n0.415356 0.610591 0.454527 O\n0.610955 0.319531 0.920292 O\n0.676872 0.819533 0.920272 O\n0.097308 0.243844 0.038475 O\n0.308700 0.743837 0.038478 O\n0.945315 0.713605 0.321745 O\n",
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{
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"updated_at": "2022-09-04T14:36:52.573223Z",
"structure_string": "Hg4 Se4 O12\n1.0\n6.083263 0.000000 0.000000\n0.000000 6.158976 0.000000\n0.000000 0.000000 8.322778\nHg Se O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Hg\n0.499844 0.943569 0.750000 Se\n-0.000156 0.556432 0.250000 Se\n0.000156 0.443569 0.750000 Se\n0.500156 0.056432 0.250000 Se\n0.738416 0.354954 0.750000 O\n0.238416 0.145046 0.250000 O\n0.620155 0.198874 0.086781 O\n0.120155 0.301126 0.913219 O\n0.879844 0.698875 0.413219 O\n0.120155 0.301126 0.586781 O\n0.379845 0.801126 0.913219 O\n0.879844 0.698875 0.086781 O\n0.261583 0.645047 0.250000 O\n0.620155 0.198874 0.413219 O\n0.379845 0.801126 0.586781 O\n0.761583 0.854954 0.750000 O\n",
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{
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"updated_at": "2022-09-04T14:37:01.199924Z",
"structure_string": "K4 Si4 H12\n1.0\n5.322810 0.000000 0.000000\n0.000000 6.802914 0.000000\n0.000000 0.000000 8.753093\nK Si H\n4 4 12\ndirect\n0.250000 0.346356 0.687111 K\n0.750000 0.653644 0.312889 K\n0.750000 0.846355 0.812889 K\n0.250000 0.153644 0.187111 K\n0.250000 0.846987 0.547229 Si\n0.750000 0.153013 0.452770 Si\n0.750000 0.346987 0.952770 Si\n0.250000 0.653013 0.047229 Si\n0.750000 0.303217 0.126651 H\n0.250000 0.696782 0.873349 H\n0.462436 0.805954 0.080452 H\n0.962436 0.194045 0.919547 H\n0.537564 0.305955 0.419547 H\n0.462436 0.694045 0.580452 H\n0.537564 0.194045 0.919547 H\n0.037564 0.805954 0.080452 H\n0.750000 0.196782 0.626651 H\n0.962436 0.305955 0.419547 H\n0.037564 0.694045 0.580452 H\n0.250000 0.803217 0.373349 H\n",
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{
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"structure_string": "Cd4 S4 O12\n1.0\n0.000000 4.478704 0.096236\n8.760013 0.000000 0.000000\n0.000000 -0.287028 -7.235833\nCd S O\n4 4 12\ndirect\n0.766554 0.707010 0.516081 Cd\n0.233445 0.207010 0.983918 Cd\n0.233445 0.292989 0.483918 Cd\n0.766554 0.792989 0.016081 Cd\n0.261006 0.575247 0.790248 S\n0.738992 0.075247 0.709751 S\n0.738993 0.424753 0.209751 S\n0.261006 0.924753 0.290248 S\n0.711491 0.367470 0.411993 O\n0.288508 0.867470 0.088006 O\n0.926382 0.896073 0.315404 O\n0.073617 0.396073 0.184595 O\n0.073617 0.103927 0.684595 O\n0.292517 0.400425 0.769859 O\n0.707481 0.599574 0.230140 O\n0.292518 0.099574 0.269860 O\n0.711491 0.132529 0.911993 O\n0.707481 0.900425 0.730139 O\n0.926381 0.603926 0.815404 O\n0.288508 0.632529 0.588006 O\n",
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{
"id": "jvasp-104012",
"created_at": "2022-09-04T14:36:52.195431Z",
"updated_at": "2022-09-04T14:36:52.195451Z",
"structure_string": "H8 Pb1 C6 S1 O4\n1.0\n4.289546 0.014421 0.315049\n2.121241 4.621675 0.170634\n-0.080894 -0.018050 10.160896\nH Pb C S O\n8 1 6 1 4\ndirect\n0.055210 0.694850 0.318612 H\n0.703966 0.678411 0.412849 H\n0.475216 0.274781 0.436342 H\n0.227514 0.575186 0.539257 H\n0.652090 0.276799 0.744027 H\n0.602532 0.576403 0.640542 H\n0.022312 0.679453 0.767225 H\n0.654391 0.696163 0.861301 H\n0.695248 0.011380 0.090180 Pb\n0.114229 0.339530 0.909318 C\n0.893349 0.546079 0.807676 C\n0.783618 0.404773 0.700585 C\n0.950414 0.338439 0.271127 C\n0.965764 0.544908 0.372496 C\n0.216451 0.403587 0.479693 C\n0.124845 0.153341 0.590513 S\n0.116604 0.089402 0.926203 O\n0.197388 0.088403 0.254357 O\n0.292211 0.428336 0.977648 O\n0.683688 0.427356 0.202836 O\n",
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{
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"created_at": "2022-09-04T14:37:00.549341Z",
"updated_at": "2022-09-04T14:37:00.549357Z",
"structure_string": "Pr4 Ga4 O12\n1.0\n5.507034 -0.000000 0.000000\n-0.000000 5.572023 0.000000\n0.000000 0.000000 7.817402\nPr Ga O\n4 4 12\ndirect\n0.010066 0.957666 0.750000 Pr\n0.510066 0.542334 0.250000 Pr\n0.489934 0.457666 0.750000 Pr\n0.989933 0.042334 0.250000 Pr\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.579631 0.016852 0.750000 O\n0.079631 0.483148 0.250000 O\n0.713409 0.287397 0.042918 O\n0.213409 0.212603 0.957082 O\n0.786590 0.787396 0.457082 O\n0.213409 0.212603 0.542918 O\n0.286591 0.712603 0.957082 O\n0.786590 0.787396 0.042918 O\n0.420368 0.983147 0.250000 O\n0.713409 0.287397 0.457082 O\n0.286591 0.712603 0.542918 O\n0.920368 0.516852 0.750000 O\n",
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{
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"updated_at": "2022-09-04T14:36:51.421443Z",
"structure_string": "Mg4 Sb4 O12\n1.0\n0.000000 5.448752 0.037065\n5.566420 0.000000 0.000000\n0.000000 -5.436094 -8.014012\nMg Sb O\n4 4 12\ndirect\n0.206611 0.026399 0.220219 Mg\n0.206611 0.473601 0.720219 Mg\n0.793390 0.526399 0.279782 Mg\n0.793390 0.973601 0.779782 Mg\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.788261 0.150746 0.963196 O\n0.458443 0.297890 0.108420 O\n0.541558 0.702110 0.891580 O\n0.211739 0.849254 0.036804 O\n0.458443 0.202110 0.608420 O\n0.858153 0.875038 0.223038 O\n0.141848 0.375038 0.276963 O\n0.141848 0.124962 0.776963 O\n0.211740 0.650746 0.536804 O\n0.858153 0.624962 0.723038 O\n0.788261 0.349254 0.463196 O\n0.541557 0.797890 0.391580 O\n",
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{
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"structure_string": "Na4 Ta4 O12\n1.0\n5.526206 -0.025920 -0.000000\n-0.036351 5.526148 0.000000\n-0.000000 0.000000 7.869904\nNa Ta O\n4 4 12\ndirect\n0.503309 0.496692 0.250000 Na\n0.496692 0.503309 0.750000 Na\n0.011631 0.988370 0.250000 Na\n0.988370 0.011631 0.750000 Na\n0.000000 0.500000 0.500000 Ta\n0.500000 -0.000000 0.500000 Ta\n0.500000 -0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.294895 0.294895 0.500000 O\n0.705106 0.705106 0.000000 O\n0.964921 0.451136 0.750000 O\n0.207186 0.792814 0.959119 O\n0.792815 0.207186 0.459120 O\n0.792815 0.207186 0.040880 O\n0.207186 0.792814 0.540880 O\n0.548865 0.035080 0.750000 O\n0.451136 0.964920 0.250000 O\n0.035080 0.548865 0.250000 O\n0.294895 0.294895 0.000000 O\n0.705106 0.705106 0.500000 O\n",
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{
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"structure_string": "Al8 O12\n1.0\n2.422137 -4.195263 0.000000\n2.422137 4.195263 0.000000\n-0.000000 0.000000 9.039856\nAl O\n8 12\ndirect\n0.666668 0.333334 0.961424 Al\n0.666668 0.333334 0.250000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.666668 0.333334 0.538577 Al\n0.333334 0.666668 0.038577 Al\n0.333334 0.666668 0.750000 Al\n0.333334 0.666668 0.461424 Al\n0.031929 0.676703 0.887926 O\n0.968073 0.644776 0.387926 O\n0.323297 0.355226 0.887926 O\n0.355226 0.323297 0.387926 O\n0.031929 0.355226 0.612075 O\n0.323298 0.968072 0.612075 O\n0.644776 0.968073 0.887926 O\n0.676703 0.031929 0.387926 O\n0.676704 0.644776 0.112074 O\n0.355226 0.031929 0.112074 O\n0.968072 0.323298 0.112074 O\n0.644776 0.676704 0.612075 O\n",
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{
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"created_at": "2022-09-04T14:36:51.558051Z",
"updated_at": "2022-09-04T14:36:51.558085Z",
"structure_string": "Mn2 Nb6 S12\n1.0\n2.921146 -5.059573 0.000000\n2.921146 5.059573 -0.000000\n-0.000000 0.000000 12.297703\nMn Nb S\n2 6 12\ndirect\n0.666668 0.333334 0.250000 Mn\n0.333334 0.666668 0.750000 Mn\n0.333334 0.666668 0.498786 Nb\n0.666668 0.333334 0.998786 Nb\n0.666668 0.333334 0.501214 Nb\n0.333334 0.666668 0.001214 Nb\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.330040 0.997367 0.128415 S\n0.332674 0.330040 0.628415 S\n0.669961 0.002635 0.628415 S\n0.330040 0.332674 0.371585 S\n0.667328 0.997367 0.371585 S\n0.669962 0.667328 0.871585 S\n0.002635 0.669961 0.371585 S\n0.997367 0.330040 0.871585 S\n0.002634 0.332673 0.128415 S\n0.332673 0.002634 0.871585 S\n0.667328 0.669962 0.128415 S\n0.997367 0.667328 0.628415 S\n",
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{
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"structure_string": "Mg2 H4 C6 O8\n1.0\n4.604879 0.024797 1.885982\n2.664707 6.368579 -0.134467\n-0.195111 -0.162247 6.041826\nMg H C O\n2 4 6 8\ndirect\n0.523892 0.191799 0.526973 Mg\n0.900513 0.103082 0.967648 Mg\n0.307871 0.929708 0.339596 H\n0.064651 0.644893 0.684660 H\n0.469644 0.638365 0.327636 H\n0.805565 0.658849 -0.028353 H\n0.827625 0.651973 0.782604 C\n0.294337 0.777393 0.311748 C\n0.588170 0.857077 0.779716 C\n0.809784 0.447043 0.709269 C\n0.185043 0.380557 0.197800 C\n0.056235 0.774628 0.260828 C\n0.445844 0.328681 0.223986 O\n0.002026 0.588306 0.221888 O\n0.583282 0.435369 0.671259 O\n0.070415 0.254793 0.158707 O\n0.328924 0.872056 0.783040 O\n0.825596 0.940631 0.248105 O\n0.665686 0.018818 0.773359 O\n0.046035 0.277791 0.695817 O\n",
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]
}