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{
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{
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{
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"structure_string": "Mg3 Al6 O12\n1.0\n4.381433 -7.588864 0.000000\n4.381433 7.588864 0.000000\n0.000000 0.000000 2.831636\nMg Al O\n3 6 12\ndirect\n0.333333 0.666667 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.000000 Mg\n0.020190 0.343584 0.000000 Al\n0.323394 0.979810 0.000000 Al\n0.656416 0.676606 0.000000 Al\n0.314487 0.323293 0.500000 Al\n0.008806 0.685513 0.500000 Al\n0.676707 0.991194 0.500000 Al\n0.134895 0.202705 0.000000 O\n0.067810 0.865105 0.000000 O\n0.797295 0.932190 0.000000 O\n0.198670 0.464086 0.500000 O\n0.265416 0.801330 0.500000 O\n0.535914 0.734584 0.500000 O\n0.563584 0.038609 0.000000 O\n0.475025 0.436416 0.000000 O\n0.961391 0.524975 0.000000 O\n0.769515 0.627539 0.500000 O\n0.858025 0.230485 0.500000 O\n0.372461 0.141975 0.500000 O\n",
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{
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"structure_string": "Li4 Cr2 Si8 O22\n1.0\n-5.313675 5.313675 3.846208\n5.313675 -5.313675 3.846208\n5.313675 5.313675 -3.846208\nLi Cr Si O\n4 2 8 22\ndirect\n0.655152 0.621338 0.276490 Li\n0.378662 0.655152 0.033815 Li\n0.621338 0.344848 0.966185 Li\n0.344848 0.378662 0.723510 Li\n0.244660 0.244660 0.000000 Cr\n0.755340 0.755340 0.000000 Cr\n0.499860 0.177804 0.285551 Si\n0.107748 0.785691 0.285551 Si\n0.177804 0.892252 0.677943 Si\n0.785691 0.500140 0.677943 Si\n0.822196 0.107748 0.322057 Si\n0.214309 0.499860 0.322057 Si\n0.892252 0.214309 0.714449 Si\n0.500140 0.822196 0.714449 Si\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.454106 0.214872 0.107947 O\n0.893075 0.653842 0.107947 O\n0.285976 0.037416 0.323393 O\n0.677465 0.410132 0.459651 O\n0.049519 0.782187 0.459651 O\n0.589868 0.049519 0.267332 O\n0.217813 0.677465 0.267332 O\n0.214872 0.106925 0.760767 O\n0.653842 0.545894 0.760767 O\n0.962584 0.285976 0.248560 O\n0.037416 0.714024 0.751440 O\n0.346158 0.454106 0.239233 O\n0.785128 0.893075 0.239233 O\n0.782187 0.322535 0.732668 O\n0.410132 0.950481 0.732668 O\n0.950481 0.217813 0.540349 O\n0.322535 0.589868 0.540349 O\n0.714024 0.962584 0.676607 O\n0.106925 0.346158 0.892053 O\n0.545894 0.785128 0.892053 O\n",
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{
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"created_at": "2022-09-04T14:44:50.495398Z",
"structure_string": "Fe18 O18 F18\n1.0\n3.092407 0.000000 0.000000\n0.000000 14.190431 0.000000\n0.000000 0.023300 14.226524\nFe O F\n18 18 18\ndirect\n0.000000 0.004122 0.984474 Fe\n0.000000 0.988285 0.667851 Fe\n0.000000 0.990573 0.346587 Fe\n0.500000 0.847404 0.834942 Fe\n0.500000 0.839556 0.509774 Fe\n0.500000 0.849106 0.175963 Fe\n0.000000 0.658583 0.006455 Fe\n0.000000 0.665064 0.658714 Fe\n0.000000 0.660244 0.330760 Fe\n0.500000 0.499207 0.515186 Fe\n0.500000 0.499998 0.813239 Fe\n0.500000 0.510549 0.169897 Fe\n0.000000 0.321272 0.000466 Fe\n0.000000 0.342319 0.663639 Fe\n0.000000 0.319986 0.337146 Fe\n0.500000 0.171006 0.843634 Fe\n0.500000 0.162272 0.486190 Fe\n0.500000 0.178035 0.170065 Fe\n0.500000 0.937646 0.733341 O\n0.500000 0.926486 0.398283 O\n0.000000 0.894093 0.904383 O\n0.000000 0.901013 0.564747 O\n0.000000 0.901609 0.231169 O\n0.500000 0.732555 0.601383 O\n0.500000 0.605771 0.729360 O\n0.500000 0.601618 0.064562 O\n0.000000 0.563359 0.561598 O\n0.000000 0.565952 0.232966 O\n0.000000 0.430740 0.769321 O\n0.500000 0.392156 0.599168 O\n0.500000 0.272674 0.403227 O\n0.500000 0.267310 0.063668 O\n0.000000 0.236479 0.893046 O\n0.000000 0.231856 0.232329 O\n0.000000 0.100215 0.433764 O\n0.500000 0.066367 0.932817 O\n0.500000 0.935636 0.064488 F\n0.000000 0.769939 0.774017 F\n0.000000 0.760557 0.429487 F\n0.000000 0.771114 0.100661 F\n0.500000 0.727815 0.936146 F\n0.500000 0.732345 0.264649 F\n0.500000 0.598463 0.398857 F\n0.000000 0.566558 0.897632 F\n0.000000 0.438370 0.428258 F\n0.000000 0.436011 0.102233 F\n0.500000 0.404562 0.939052 F\n0.500000 0.399260 0.265868 F\n0.500000 0.262884 0.727818 F\n0.000000 0.226883 0.568723 F\n0.000000 0.104544 0.765235 F\n0.000000 0.096861 0.102720 F\n0.500000 0.069000 0.604467 F\n0.500000 0.063722 0.265577 F\n",
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"structure_string": "Cr19 S30\n1.0\n8.881151 0.000000 0.000000\n4.037145 9.580222 0.000000\n3.236005 0.486309 10.224471\nCr S\n19 30\ndirect\n0.797156 0.102823 0.798482 Cr\n0.000000 0.500000 0.000000 Cr\n0.202844 0.897177 0.201518 Cr\n0.603825 0.699977 0.601818 Cr\n0.396175 0.300023 0.398182 Cr\n0.022414 0.822343 0.986281 Cr\n0.223812 0.229243 0.189096 Cr\n0.416413 0.633342 0.384462 Cr\n0.795901 0.436461 0.802596 Cr\n0.620381 0.028253 0.585498 Cr\n0.977586 0.177657 0.013719 Cr\n0.204099 0.563539 0.197404 Cr\n0.379619 0.971747 0.414502 Cr\n0.776188 0.770757 0.810904 Cr\n0.583587 0.366658 0.615538 Cr\n0.293249 0.101507 0.803153 Cr\n0.105838 0.696195 0.601837 Cr\n0.894162 0.303805 0.398163 Cr\n0.706751 0.898493 0.196847 Cr\n0.206739 0.266182 0.968142 S\n0.004796 0.864932 0.767519 S\n0.801815 0.465453 0.570289 S\n0.602758 0.065909 0.365909 S\n0.404016 0.669687 0.168237 S\n0.008705 0.200369 0.779633 S\n0.818270 0.794375 0.576403 S\n0.609893 0.397177 0.376573 S\n0.414867 0.994506 0.179744 S\n0.212772 0.594054 0.974373 S\n0.206856 0.942928 0.972997 S\n0.003622 0.545033 0.773233 S\n0.811277 0.142566 0.568188 S\n0.606817 0.747778 0.371636 S\n0.412924 0.338639 0.173795 S\n0.397242 0.934091 0.634091 S\n0.198185 0.534547 0.429711 S\n0.995204 0.135068 0.232481 S\n0.793261 0.733818 0.031858 S\n0.595984 0.330313 0.831763 S\n0.585133 0.005494 0.820256 S\n0.390107 0.602823 0.623427 S\n0.181730 0.205625 0.423597 S\n0.991295 0.799631 0.220367 S\n0.787228 0.405946 0.025627 S\n0.393183 0.252222 0.628364 S\n0.188723 0.857434 0.431812 S\n0.996378 0.454967 0.226767 S\n0.793144 0.057072 0.027003 S\n0.587076 0.661361 0.826205 S\n",
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{
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"structure_string": "Li8 Hf1 O6\n1.0\n5.418504 -2.757530 0.000000\n5.418504 2.757530 0.000000\n4.015170 0.000000 4.565367\nLi Hf O\n8 1 6\ndirect\n0.234361 0.504672 0.896996 Li\n0.103004 0.765639 0.495328 Li\n0.495328 0.103004 0.765639 Li\n0.655384 0.655384 0.655384 Li\n0.344616 0.344616 0.344616 Li\n0.504672 0.896996 0.234361 Li\n0.896996 0.234361 0.504672 Li\n0.765639 0.495328 0.103004 Li\n0.000000 0.000000 0.000000 Hf\n0.091888 0.384144 0.765948 O\n0.234052 0.908112 0.615856 O\n0.615856 0.234052 0.908112 O\n0.384144 0.765948 0.091888 O\n0.765948 0.091888 0.384144 O\n0.908112 0.615856 0.234052 O\n",
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{
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{
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{
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"structure_string": "Rb4 Se2 O8\n1.0\n5.193416 0.125849 -0.285532\n-2.487720 4.308857 0.571065\n-0.687054 1.190011 17.232458\nRb Se O\n4 2 8\ndirect\n0.918648 0.046550 0.475685 Rb\n0.081352 0.127903 0.975685 Rb\n0.345682 0.766828 0.665815 Rb\n0.654318 0.421144 0.165815 Rb\n0.297534 0.635555 0.298504 Se\n0.702466 0.338020 0.798504 Se\n0.214230 0.833036 0.217090 O\n0.016599 0.265419 0.311642 O\n0.382519 0.764009 0.028719 O\n0.434915 0.493668 0.540002 O\n0.565085 0.058752 0.040002 O\n0.617481 0.381489 0.528720 O\n0.785771 0.618805 0.717090 O\n0.983402 0.248822 0.811642 O\n",
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]
}