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{
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{
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"structure_string": "Mg2 Ti4 O10\n1.0\n3.752702 0.000000 0.000000\n-1.876351 4.897291 0.000000\n0.000000 -0.000000 10.086274\nMg Ti O\n2 4 10\ndirect\n0.195835 0.391669 0.750000 Mg\n0.804165 0.608331 0.250000 Mg\n0.867058 0.734116 0.567383 Ti\n0.132941 0.265884 0.432616 Ti\n0.867058 0.734116 0.932616 Ti\n0.132941 0.265884 0.067383 Ti\n0.313784 0.627566 0.562381 O\n0.686216 0.372433 0.437618 O\n0.686216 0.372433 0.062381 O\n0.313784 0.627566 0.937618 O\n0.046633 0.093268 0.613344 O\n0.953366 0.906732 0.386656 O\n0.782423 0.564846 0.750000 O\n0.217577 0.435154 0.250000 O\n0.046633 0.093268 0.886656 O\n0.953366 0.906732 0.113344 O\n",
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{
"id": "jvasp-10871",
"created_at": "2022-09-04T14:37:03.339221Z",
"updated_at": "2022-09-04T14:37:03.339242Z",
"structure_string": "Na6 P2 S6 O2\n1.0\n5.907320 0.000000 0.000000\n0.000000 7.344971 -1.442535\n0.000000 -0.008726 7.485281\nNa P S O\n6 2 6 2\ndirect\n0.252970 0.085909 0.318160 Na\n0.705065 0.369456 0.630544 Na\n0.205065 0.630544 0.369456 Na\n0.252970 0.681839 0.914090 Na\n0.752970 0.914090 0.681839 Na\n0.752970 0.318160 0.085909 Na\n0.145784 0.205302 0.794697 P\n0.645784 0.794697 0.205302 P\n0.273379 0.951544 0.687123 S\n0.229346 0.381075 0.618925 S\n0.729346 0.618925 0.381075 S\n0.773379 0.048455 0.312876 S\n0.273379 0.312877 0.048455 S\n0.773379 0.687123 0.951544 S\n0.885207 0.195514 0.804486 O\n0.385206 0.804486 0.195514 O\n",
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{
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"structure_string": "I4 F12\n1.0\n4.560524 0.000000 0.000000\n0.000000 6.663876 0.000000\n0.000000 0.000000 8.677027\nI F\n4 12\ndirect\n0.526870 0.750000 0.813029 I\n0.026871 0.250000 0.686972 I\n0.473129 0.250000 0.186972 I\n0.973128 0.750000 0.313028 I\n0.870486 0.750000 0.940568 F\n0.370486 0.250000 0.559432 F\n0.129513 0.250000 0.059432 F\n0.629513 0.750000 0.440568 F\n0.902402 0.450023 0.334761 F\n0.402403 0.549977 0.165239 F\n0.097597 0.950024 0.665239 F\n0.597596 0.049977 0.834761 F\n0.097597 0.549977 0.665239 F\n0.597596 0.450023 0.834761 F\n0.902402 0.049977 0.334761 F\n0.402403 0.950024 0.165239 F\n",
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{
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"updated_at": "2022-09-04T14:37:03.566800Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n3.497682 -0.006282 0.378631\n1.509196 3.780050 0.603957\n0.051810 0.000040 9.016466\nZr H C O\n1 6 5 4\ndirect\n0.074543 0.963657 0.328095 Zr\n0.558497 0.098884 0.908844 H\n0.903377 0.299906 0.914074 H\n0.879902 0.581879 0.602993 H\n0.829504 0.174734 0.660711 H\n0.070791 0.652945 0.770522 H\n0.401829 0.874194 0.776901 H\n0.462156 0.486078 0.483573 C\n0.652751 0.457833 0.631266 C\n0.399327 0.457753 0.067278 C\n0.395620 0.610822 0.772769 C\n0.571104 0.360249 0.912606 C\n0.733544 0.566645 0.348882 O\n0.474522 0.147103 0.463352 O\n0.200404 0.771114 0.093199 O\n0.479204 0.200336 0.174731 O\n",
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{
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"created_at": "2022-09-04T14:37:03.326152Z",
"updated_at": "2022-09-04T14:37:03.326190Z",
"structure_string": "Rb4 Nb2 Cu2 Se8\n1.0\n5.642390 0.000000 1.325156\n2.821195 6.927209 0.662578\n0.021007 -0.000000 12.585518\nRb Nb Cu Se\n4 2 2 8\ndirect\n0.804308 0.750000 0.391384 Rb\n0.445691 0.750000 0.108616 Rb\n0.554309 0.250000 0.891384 Rb\n0.195693 0.250000 0.608616 Rb\n0.375000 0.250000 0.250000 Nb\n0.625000 0.750000 0.750000 Nb\n0.875000 0.250000 0.250000 Cu\n0.125000 0.750000 0.750000 Cu\n0.914176 0.547002 0.863784 Se\n0.824961 0.952998 0.636217 Se\n0.538821 0.547002 0.636217 Se\n0.222040 0.952998 0.863784 Se\n0.461178 0.452998 0.363784 Se\n0.777959 0.047002 0.136216 Se\n0.175039 0.047002 0.363784 Se\n0.085823 0.452998 0.136216 Se\n",
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{
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"created_at": "2022-09-04T14:36:51.371920Z",
"updated_at": "2022-09-04T14:36:51.371957Z",
"structure_string": "Hg4 H4 O4 F4\n1.0\n4.977508 0.000000 0.000000\n0.000000 6.042031 0.000000\n0.000000 0.000000 6.974640\nHg H O F\n4 4 4 4\ndirect\n0.254195 0.493287 0.140761 Hg\n0.754195 0.006713 0.859239 Hg\n0.745805 -0.006713 0.359239 Hg\n0.245805 0.506713 0.640761 Hg\n0.643752 0.509162 0.394131 H\n0.143751 0.990838 0.605869 H\n0.356249 0.009162 0.105869 H\n0.856249 0.490838 0.894131 H\n0.465924 0.598218 0.390657 O\n0.034076 0.401782 0.890657 O\n0.534076 0.098218 0.109343 O\n0.965924 0.901782 0.609343 O\n0.399347 0.107994 0.608302 F\n0.600654 0.607994 0.891698 F\n0.899347 0.392006 0.391698 F\n0.100654 0.892005 0.108302 F\n",
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{
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"structure_string": "Li4 Cu2 Si2 O8\n1.0\n0.000000 4.903588 -0.000578\n6.287695 0.000000 0.000000\n0.000000 -0.000638 -5.275074\nLi Cu Si O\n4 2 2 8\ndirect\n0.005947 0.249370 0.330099 Li\n0.505945 0.250630 0.669901 Li\n0.005947 0.750630 0.330099 Li\n0.505945 0.749369 0.669901 Li\n0.016785 0.000000 0.810237 Cu\n0.516788 0.500000 0.189763 Cu\n0.497189 0.000000 0.162301 Si\n0.997188 0.500000 0.837700 Si\n0.160559 0.000000 0.169260 O\n0.600502 0.000000 0.863596 O\n0.106535 0.285556 0.686910 O\n0.606536 0.214443 0.313089 O\n0.100502 0.500000 0.136402 O\n0.660561 0.500000 0.830740 O\n0.606536 0.785556 0.313089 O\n0.106535 0.714443 0.686910 O\n",
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{
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"structure_string": "Al2 Bi2 Br12\n1.0\n7.766130 -0.205493 0.046971\n-1.208458 7.492700 -0.132921\n-2.460693 -2.355614 9.088866\nAl Bi Br\n2 2 12\ndirect\n0.680082 0.272287 0.843162 Al\n0.319918 0.727714 0.156839 Al\n0.803189 0.481008 0.291489 Bi\n0.196812 0.518993 0.708512 Bi\n0.526331 0.289594 0.352903 Br\n0.473670 0.710407 0.647097 Br\n0.759264 0.586951 0.962526 Br\n0.240736 0.413051 0.037474 Br\n0.842512 0.182576 0.681456 Br\n0.157489 0.817425 0.318545 Br\n0.744122 0.128015 0.034337 Br\n0.255878 0.871986 0.965663 Br\n0.368047 0.177614 0.707967 Br\n0.631953 0.822387 0.292034 Br\n0.067362 0.294000 0.405122 Br\n0.932639 0.706001 0.594878 Br\n",
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{
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"created_at": "2022-09-04T14:37:03.569533Z",
"updated_at": "2022-09-04T14:37:03.569564Z",
"structure_string": "Tl8 Te6 Pb2\n1.0\n7.803337 0.000000 -4.377362\n-2.455526 7.406920 -4.377362\n0.026719 0.037007 9.191650\nTl Te Pb\n8 6 2\ndirect\n0.013127 0.513127 0.318774 Tl\n0.694354 0.194353 0.681227 Tl\n0.305647 0.805647 0.318774 Tl\n0.513127 0.305647 0.318774 Tl\n0.805647 0.013127 0.318774 Tl\n0.486873 0.694353 0.681227 Tl\n0.194353 0.986873 0.681227 Tl\n0.986873 0.486873 0.681227 Tl\n0.836284 0.663716 0.000000 Te\n0.663716 0.163716 0.000000 Te\n0.250000 0.250000 0.500000 Te\n0.750000 0.750000 0.500000 Te\n0.336283 0.836284 0.000000 Te\n0.163716 0.336284 0.000000 Te\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.000000 Pb\n",
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{
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"created_at": "2022-09-04T14:36:50.952422Z",
"updated_at": "2022-09-04T14:36:50.952441Z",
"structure_string": "Sr2 H8 O6\n1.0\n3.678510 0.000000 0.000000\n0.000000 6.161691 0.000000\n0.000000 0.000000 6.659407\nSr H O\n2 8 6\ndirect\n0.000000 0.629009 0.751980 Sr\n0.000000 0.370991 0.251979 Sr\n0.500000 0.293741 0.602601 H\n0.500000 0.706259 0.102601 H\n0.500000 0.968444 0.598045 H\n0.500000 0.031556 0.098044 H\n0.210816 0.121121 0.829529 H\n0.789184 0.878879 0.329528 H\n0.210816 0.878879 0.329528 H\n0.789184 0.121121 0.829529 H\n0.000000 0.214136 0.877714 O\n0.500000 0.564569 0.036490 O\n0.500000 0.942248 0.742916 O\n0.500000 0.057752 0.242915 O\n0.000000 0.785864 0.377714 O\n0.500000 0.435431 0.536490 O\n",
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]
}