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{
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{
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{
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{
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"created_at": "2022-09-04T14:46:36.790197Z",
"structure_string": "Ba50 O50\n1.0\n13.166729 0.378604 -0.578403\n0.383682 13.928512 -0.792812\n-0.572490 -0.806671 14.292678\nBa O\n50 50\ndirect\n0.546081 0.743575 0.586594 Ba\n0.004680 0.652253 0.363142 Ba\n0.143738 0.875214 0.206151 Ba\n0.089076 0.214933 0.795964 Ba\n0.277684 0.951442 0.942564 Ba\n0.862932 0.835890 0.548487 Ba\n0.724655 0.687141 0.779988 Ba\n0.629204 0.834966 0.293062 Ba\n0.022624 0.784285 0.889117 Ba\n0.033865 0.122940 0.519411 Ba\n0.303152 0.293487 0.985080 Ba\n0.266112 0.258306 0.634351 Ba\n0.296508 0.757299 0.432751 Ba\n0.852263 0.976905 0.298753 Ba\n0.685465 0.306595 0.304100 Ba\n0.313502 0.288118 0.256457 Ba\n0.032331 0.116657 0.032450 Ba\n0.479669 0.484734 0.378504 Ba\n0.975881 0.274900 0.304861 Ba\n0.748447 0.123847 0.518879 Ba\n0.626602 0.442912 0.639370 Ba\n0.536084 0.087469 0.234874 Ba\n0.477659 0.977106 0.450610 Ba\n0.374146 0.550029 0.648743 Ba\n0.044757 0.387583 0.066776 Ba\n0.315089 0.974704 0.654530 Ba\n0.802310 0.964317 0.041197 Ba\n0.254213 0.626331 0.999475 Ba\n0.879856 0.358231 0.572364 Ba\n0.565196 0.950977 0.942721 Ba\n0.401331 0.793003 0.136755 Ba\n0.899728 0.750053 0.165805 Ba\n0.261663 0.061190 0.341741 Ba\n0.522806 0.484636 0.881298 Ba\n0.801464 0.475845 0.156170 Ba\n0.805913 0.221409 0.808251 Ba\n0.767314 0.978336 0.777289 Ba\n0.043590 0.975560 0.755281 Ba\n0.136859 0.473100 0.489891 Ba\n0.167586 0.727359 0.658460 Ba\n0.944298 0.606266 0.662448 Ba\n0.211698 0.552622 0.218746 Ba\n0.862178 0.491210 0.887876 Ba\n0.521585 0.464724 0.126187 Ba\n0.651133 0.232770 0.029712 Ba\n0.403385 0.744975 0.821208 Ba\n0.478366 0.169209 0.796900 Ba\n0.166365 0.474212 0.811905 Ba\n0.729081 0.563777 0.450863 Ba\n0.503057 0.244246 0.521610 Ba\n0.765464 0.849605 0.888593 O\n0.382230 0.600501 0.143121 O\n0.661159 0.127640 0.861028 O\n0.521601 0.797656 0.426997 O\n0.214706 0.813096 0.058280 O\n0.524381 0.574407 0.530881 O\n0.908779 0.060743 0.874686 O\n0.691534 0.485075 0.993918 O\n0.663232 0.495419 0.275722 O\n0.152128 0.654596 0.483587 O\n0.977506 0.795626 0.697030 O\n0.723146 0.264362 0.647662 O\n0.183139 0.841534 0.821275 O\n0.406115 0.171930 0.370309 O\n0.201909 0.456220 0.020889 O\n0.421260 0.373286 0.627279 O\n0.804479 0.506203 0.717486 O\n0.488828 0.327281 0.959023 O\n0.448828 0.830216 0.983262 O\n0.286346 0.938983 0.456875 O\n0.419341 0.005165 0.831666 O\n0.752137 0.861228 0.167150 O\n0.859998 0.013945 0.617207 O\n0.336568 0.577503 0.845358 O\n0.351136 0.773189 0.629971 O\n0.093681 0.144298 0.359389 O\n0.861785 0.216169 0.426023 O\n0.500162 0.311613 0.209648 O\n0.549579 0.619689 0.763029 O\n0.991730 0.529725 0.200502 O\n0.148249 0.077428 0.663556 O\n0.750806 0.712922 0.603767 O\n0.153024 0.249952 0.125928 O\n0.427303 0.117718 0.614425 O\n0.953411 0.329619 0.895374 O\n0.823332 0.297377 0.174263 O\n0.281946 0.448254 0.352576 O\n0.924438 0.511937 0.484029 O\n0.148494 0.091408 0.914525 O\n0.630810 0.070955 0.083568 O\n0.664964 0.010093 0.365377 O\n0.255120 0.295024 0.809390 O\n0.005483 0.607837 0.855140 O\n0.145935 0.723380 0.273176 O\n0.881738 0.807430 0.351537 O\n0.062535 0.293071 0.606904 O\n0.436820 0.942904 0.255097 O\n0.167180 0.538540 0.656427 O\n0.637382 0.387023 0.462939 O\n0.966565 0.918022 0.143320 O\n",
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{
"id": "mp-1212178",
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"structure_string": "In4 H36 S8 O48\n1.0\n5.647747 0.000000 0.000000\n0.000000 10.086732 0.000000\n0.000000 0.000000 18.735869\nIn H S O\n4 36 8 48\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.500000 0.500000 0.500000 In\n0.551232 0.498298 0.250000 H\n0.448768 0.501702 0.750000 H\n0.051232 0.001702 0.750000 H\n0.948768 0.998298 0.250000 H\n0.654566 0.092156 0.100000 H\n0.345434 0.907844 0.900000 H\n0.154566 0.407844 0.900000 H\n0.345434 0.907844 0.600000 H\n0.845434 0.592156 0.100000 H\n0.654566 0.092156 0.400000 H\n0.845434 0.592156 0.400000 H\n0.154566 0.407844 0.600000 H\n0.353738 0.065212 0.597312 H\n0.646262 0.934788 0.402688 H\n0.853738 0.434788 0.402688 H\n0.646262 0.934788 0.097312 H\n0.146262 0.565212 0.597312 H\n0.353738 0.065212 0.902688 H\n0.146262 0.565212 0.902688 H\n0.853738 0.434788 0.097312 H\n0.525901 0.659930 0.205543 H\n0.474099 0.340070 0.794457 H\n0.025901 0.840070 0.794457 H\n0.474099 0.340070 0.705543 H\n0.974099 0.159930 0.205543 H\n0.525901 0.659930 0.294457 H\n0.974099 0.159930 0.294457 H\n0.025901 0.840070 0.705543 H\n0.504403 0.319242 0.206749 H\n0.495597 0.680758 0.793251 H\n0.004403 0.180758 0.793251 H\n0.495597 0.680758 0.706749 H\n0.995597 0.819242 0.206749 H\n0.504403 0.319242 0.293251 H\n0.995597 0.819242 0.293251 H\n0.004403 0.180758 0.706749 H\n0.222222 0.259666 0.091521 S\n0.777778 0.740334 0.908479 S\n0.722222 0.240334 0.908479 S\n0.777778 0.740334 0.591521 S\n0.277778 0.759666 0.091521 S\n0.222222 0.259666 0.408479 S\n0.277778 0.759666 0.408479 S\n0.722222 0.240334 0.591521 S\n0.247609 0.401455 0.066816 O\n0.752391 0.598545 0.933184 O\n0.747609 0.098545 0.933184 O\n0.752391 0.598545 0.566816 O\n0.252391 0.901455 0.066816 O\n0.247609 0.401455 0.433184 O\n0.252391 0.901455 0.433184 O\n0.747609 0.098545 0.566816 O\n0.194037 0.176874 0.025271 O\n0.805963 0.823126 0.974729 O\n0.694037 0.323126 0.974729 O\n0.805963 0.823126 0.525271 O\n0.305963 0.676874 0.025271 O\n0.194037 0.176874 0.474729 O\n0.305963 0.676874 0.474729 O\n0.694037 0.323126 0.525271 O\n0.435461 0.216846 0.131212 O\n0.564539 0.783154 0.868788 O\n0.935461 0.283154 0.868788 O\n0.564539 0.783154 0.631212 O\n0.064539 0.716846 0.131212 O\n0.435461 0.216846 0.368788 O\n0.064539 0.716846 0.368788 O\n0.935461 0.283154 0.631212 O\n0.753130 0.011608 0.092716 O\n0.246870 0.988392 0.907284 O\n0.253130 0.488392 0.907284 O\n0.246870 0.988392 0.592716 O\n0.746870 0.511608 0.092716 O\n0.753130 0.011608 0.407284 O\n0.746870 0.511608 0.407284 O\n0.253130 0.488392 0.592716 O\n0.552846 0.369450 0.250000 O\n0.447154 0.630550 0.750000 O\n0.052846 0.130550 0.750000 O\n0.947154 0.869450 0.250000 O\n0.567576 0.609144 0.250000 O\n0.432424 0.390856 0.750000 O\n0.067576 0.890856 0.750000 O\n0.932424 0.109144 0.250000 O\n0.005626 0.257068 0.135746 O\n0.994374 0.742932 0.864254 O\n0.505626 0.242932 0.864254 O\n0.994374 0.742932 0.635746 O\n0.494374 0.757068 0.135746 O\n0.005626 0.257068 0.364254 O\n0.494374 0.757068 0.364254 O\n0.505626 0.242932 0.635746 O\n",
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{
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{
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{
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{
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"structure_string": "Mg6 Sn6 As8 O32\n1.0\n5.547634 0.000000 0.000000\n0.000000 9.184924 0.000000\n0.000000 9.089319 15.315955\nMg Sn As O\n6 6 8 32\ndirect\n0.565670 0.324946 0.221331 Mg\n0.065670 0.675054 0.278669 Mg\n0.434330 0.675054 0.778669 Mg\n0.934330 0.324946 0.721331 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.541119 0.169875 0.635275 Sn\n0.458881 0.830125 0.364725 Sn\n0.041119 0.830125 0.864725 Sn\n0.958881 0.169875 0.135275 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.993994 0.017841 0.366825 As\n0.540233 0.436302 0.379814 As\n0.040233 0.563698 0.120186 As\n0.959767 0.436302 0.879814 As\n0.006006 0.982159 0.633175 As\n0.459767 0.563698 0.620186 As\n0.506006 0.017841 0.866825 As\n0.493994 0.982159 0.133175 As\n0.342723 0.851406 0.230776 O\n0.062393 0.749742 0.022438 O\n0.473916 0.423255 0.291348 O\n0.552018 0.176091 0.129928 O\n0.526084 0.576745 0.708652 O\n0.157277 0.851406 0.730776 O\n0.973916 0.576745 0.208652 O\n0.708919 0.559595 0.866695 O\n0.687316 0.992593 0.947340 O\n0.657277 0.148594 0.769224 O\n0.947982 0.176091 0.629928 O\n0.291081 0.440405 0.133305 O\n0.303194 0.555377 0.388611 O\n0.312684 0.007407 0.052660 O\n0.707463 0.924152 0.633340 O\n0.207463 0.075848 0.866660 O\n0.803194 0.444623 0.111389 O\n0.026084 0.423255 0.791348 O\n0.187316 0.007407 0.552660 O\n0.208919 0.440405 0.633305 O\n0.792537 0.924152 0.133340 O\n0.292537 0.075848 0.366660 O\n0.937607 0.250258 0.977562 O\n0.562393 0.250258 0.477562 O\n0.696806 0.444623 0.611389 O\n0.842723 0.148594 0.269224 O\n0.447982 0.823909 0.870072 O\n0.812684 0.992593 0.447340 O\n0.437607 0.749742 0.522438 O\n0.791081 0.559595 0.366695 O\n0.196806 0.555377 0.888611 O\n0.052018 0.823909 0.370072 O\n",
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{
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}