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{
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"structure_string": "As8 O12\n1.0\n0.000000 8.098974 -0.096313\n4.577261 0.000000 0.000000\n0.000000 -6.213702 -8.785930\nAs O\n8 12\ndirect\n0.559442 0.792924 0.877979 As\n0.440557 0.292924 0.622020 As\n0.440557 0.207076 0.122020 As\n0.559442 0.707075 0.377979 As\n0.917777 0.330013 0.804784 As\n0.082223 0.830013 0.695216 As\n0.082223 0.669987 0.195216 As\n0.917777 0.169987 0.304784 As\n0.042551 0.055830 0.213528 O\n0.957449 0.555830 0.286471 O\n0.407208 0.855454 0.182639 O\n0.592791 0.355454 0.317360 O\n0.592791 0.144546 0.817360 O\n0.666001 0.366234 0.627320 O\n0.333998 0.633766 0.372680 O\n0.666001 0.133766 0.127320 O\n0.042551 0.444169 0.713528 O\n0.333998 0.866233 0.872680 O\n0.407209 0.644546 0.682639 O\n0.957449 0.944169 0.786471 O\n",
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{
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"structure_string": "H8 C8 O4\n1.0\n4.852028 -0.000365 0.000010\n-0.000483 4.844444 -0.004847\n-0.000006 0.005896 7.015452\nH C O\n8 8 4\ndirect\n0.733603 0.102139 0.000245 H\n0.942101 0.017656 0.199148 H\n0.233590 0.381769 0.500217 H\n0.442059 0.466415 0.699131 H\n0.942079 0.517554 0.780755 H\n0.733607 0.602133 0.979669 H\n0.442080 0.966312 0.280742 H\n0.233587 0.881761 0.479646 H\n0.095818 0.864004 0.939139 C\n0.595800 0.120029 0.540752 C\n0.595808 0.620007 0.439131 C\n0.448109 0.893676 0.429954 C\n0.095827 0.364025 0.040753 C\n0.448105 0.393703 0.549920 C\n0.948126 0.090303 0.049937 C\n0.948123 0.590277 0.929964 C\n0.825013 0.090627 0.611962 O\n0.825032 0.590584 0.367940 O\n0.325050 0.393533 0.111944 O\n0.325033 0.893491 0.867930 O\n",
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{
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"structure_string": "Ca1 Ti4 Fe3 O12\n1.0\n6.117563 -0.000000 -2.162884\n-3.058782 5.297963 -2.162884\n0.000000 0.000000 6.488655\nCa Ti Fe O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Ca\n-0.000000 -0.000000 0.500001 Ti\n-0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500001 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000001 Fe\n-0.000000 0.500000 0.500000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.182651 0.698107 0.880762 O\n0.484546 0.182652 0.301894 O\n0.698106 0.880759 0.182652 O\n0.817347 0.301892 0.119241 O\n0.698107 0.515454 0.817349 O\n0.119241 0.817348 0.301894 O\n0.182651 0.301892 0.484546 O\n0.880759 0.182652 0.698108 O\n0.817348 0.698107 0.515457 O\n0.515454 0.817348 0.698107 O\n0.301894 0.484545 0.182653 O\n0.301894 0.119240 0.817350 O\n",
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{
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"structure_string": "Nd4 Rh4 O12\n1.0\n5.379336 0.000000 0.000000\n-0.000000 5.879534 0.000000\n0.000000 0.000000 7.815947\nNd Rh O\n4 4 12\ndirect\n0.474288 0.577652 0.750000 Nd\n0.974288 0.922347 0.250000 Nd\n0.025713 0.077653 0.750000 Nd\n0.525713 0.422347 0.250000 Nd\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n0.888347 0.464555 0.750000 O\n0.388347 0.035445 0.250000 O\n0.816572 0.195709 0.053238 O\n0.316571 0.304290 0.946762 O\n0.683429 0.695709 0.446762 O\n0.316571 0.304290 0.553238 O\n0.183429 0.804290 0.946762 O\n0.683429 0.695709 0.053238 O\n0.111654 0.535444 0.250000 O\n0.816572 0.195709 0.446762 O\n0.183429 0.804290 0.553238 O\n0.611654 0.964555 0.750000 O\n",
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{
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"structure_string": "Li6 Si2 Ni2 O10\n1.0\n4.964600 0.022366 -0.006667\n1.528357 5.300212 0.000742\n1.734559 0.987828 6.104321\nLi Si Ni O\n6 2 2 10\ndirect\n0.486925 0.252855 0.004562 Li\n0.301921 0.448544 0.404114 Li\n0.294758 0.950561 0.405343 Li\n0.705243 0.049440 0.594656 Li\n0.698080 0.551457 0.595885 Li\n0.513076 0.747146 0.995437 Li\n0.901854 0.845313 0.219773 Si\n0.098147 0.154688 0.780226 Si\n0.099815 0.651577 0.793485 Ni\n0.900186 0.348424 0.206514 Ni\n0.358146 0.340251 0.719162 O\n0.639382 0.129633 0.279962 O\n0.641855 0.659749 0.280837 O\n0.157024 0.052823 0.093264 O\n0.996263 0.761115 0.467894 O\n0.161423 0.568492 0.112344 O\n0.838578 0.431509 0.887655 O\n0.003738 0.238886 0.532105 O\n0.842977 0.947178 0.906735 O\n0.360619 0.870368 0.720037 O\n",
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{
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"created_at": "2022-09-04T14:37:00.408804Z",
"updated_at": "2022-09-04T14:37:00.408838Z",
"structure_string": "Ca2 Ti2 Si4 O12\n1.0\n5.029304 -0.071578 0.959845\n1.073100 6.645075 0.771951\n-0.163521 0.195257 6.770496\nCa Ti Si O\n2 2 4 12\ndirect\n0.750000 0.301366 0.698635 Ca\n0.250001 0.698633 0.301368 Ca\n0.249999 0.070716 0.929286 Ti\n0.749999 0.929285 0.070715 Ti\n0.272637 0.195233 0.392709 Si\n0.227362 0.607292 0.804768 Si\n0.772637 0.392708 0.195234 Si\n0.727363 0.804767 0.607293 Si\n0.653179 0.966071 0.771148 O\n0.846821 0.228852 0.033929 O\n0.672249 0.623070 0.117513 O\n0.827749 0.882488 0.376930 O\n0.327750 0.376928 0.882488 O\n0.972274 0.618776 0.673956 O\n0.027725 0.381223 0.326046 O\n0.472275 0.673954 0.618779 O\n0.346820 0.033929 0.228853 O\n0.527725 0.326046 0.381223 O\n0.172250 0.117511 0.623072 O\n0.153180 0.771148 0.966072 O\n",
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{
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"structure_string": "Dy8 S8 O4\n1.0\n0.000000 6.859173 0.013756\n6.898543 0.000000 0.000000\n0.000000 -1.354055 -8.141381\nDy S O\n8 8 4\ndirect\n0.249518 0.054422 0.137391 Dy\n0.250482 0.554422 0.862609 Dy\n0.750482 0.945578 0.862608 Dy\n0.749518 0.445578 0.137391 Dy\n0.320707 0.143163 0.576744 Dy\n0.179293 0.643163 0.423256 Dy\n0.679293 0.856837 0.423255 Dy\n0.820707 0.356837 0.576744 Dy\n0.924289 0.133987 0.319036 S\n0.530119 0.777686 0.076812 S\n0.969881 0.277686 0.923187 S\n0.469881 0.222314 0.923187 S\n0.575711 0.633987 0.680963 S\n0.424289 0.366013 0.319036 S\n0.030119 0.722314 0.076812 S\n0.075711 0.866013 0.680963 S\n0.350234 0.912914 0.383079 O\n0.649766 0.087086 0.616920 O\n0.149767 0.412914 0.616920 O\n0.850234 0.587085 0.383079 O\n",
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{
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"created_at": "2022-09-04T14:37:00.549341Z",
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"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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"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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"updated_at": "2022-09-04T14:37:00.548975Z",
"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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{
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"created_at": "2022-09-04T14:36:54.699004Z",
"updated_at": "2022-09-04T14:36:54.699023Z",
"structure_string": "Sb2 N18\n1.0\n6.357418 0.042358 4.397266\n2.327594 5.916152 4.397266\n0.061741 0.042359 7.729741\nSb N\n2 18\ndirect\n0.693181 0.693181 0.693182 Sb\n0.306818 0.306819 0.306819 Sb\n0.165955 0.855354 0.346288 N\n0.144645 0.653712 0.834045 N\n0.653712 0.834045 0.144647 N\n0.834045 0.144646 0.653713 N\n0.742671 0.242661 0.263457 N\n0.242661 0.263457 0.742671 N\n0.263457 0.742671 0.242662 N\n0.257329 0.757339 0.736544 N\n0.757338 0.736543 0.257330 N\n0.736543 0.257329 0.757339 N\n0.624084 0.130815 0.367656 N\n0.130815 0.367656 0.624084 N\n0.367656 0.624084 0.130816 N\n0.375915 0.869185 0.632345 N\n0.869185 0.632344 0.375917 N\n0.632344 0.375916 0.869185 N\n0.346287 0.165955 0.855354 N\n0.855354 0.346288 0.165956 N\n",
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{
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"created_at": "2022-09-04T14:37:00.953980Z",
"updated_at": "2022-09-04T14:37:00.953991Z",
"structure_string": "Li6 Cu2 F12\n1.0\n5.893511 0.002436 0.002494\n-0.129821 5.892082 0.002494\n-0.129821 -0.132767 5.890587\nLi Cu F\n6 2 12\ndirect\n0.066756 0.249200 0.556501 Li\n0.249200 0.556501 0.066755 Li\n0.443499 0.933244 0.750799 Li\n0.556501 0.066756 0.249200 Li\n0.750800 0.443499 0.933244 Li\n0.933245 0.750800 0.443498 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.806630 0.452669 0.599448 F\n0.694843 0.076607 0.917740 F\n0.599448 0.806629 0.452668 F\n0.547331 0.400552 0.193370 F\n0.452669 0.599448 0.806629 F\n0.082261 0.305157 0.923393 F\n0.305158 0.923393 0.082260 F\n0.193371 0.547331 0.400552 F\n0.917740 0.694843 0.076606 F\n0.076608 0.917739 0.694842 F\n0.400552 0.193370 0.547331 F\n0.923393 0.082261 0.305157 F\n",
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]
}