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{
"id": "jvasp-104129",
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{
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"updated_at": "2022-09-04T14:37:31.177561Z",
"structure_string": "Ba8 Tb4 Cd6 S20\n1.0\n4.173042 0.000000 -0.000000\n-2.086522 9.057908 -0.000000\n-0.000000 -0.000000 26.737411\nTb Ba Cd S\n4 8 6 20\ndirect\n0.079663 0.159326 0.253563 Tb\n0.496102 0.992203 0.499429 Tb\n0.920337 0.840675 0.753563 Tb\n0.503898 0.007797 0.999429 Tb\n0.160763 0.321527 0.390919 Ba\n0.839237 0.678474 0.890919 Ba\n0.163104 0.326208 0.110787 Ba\n0.836896 0.673792 0.610787 Ba\n0.575350 0.150701 0.655988 Ba\n0.424650 0.849299 0.155988 Ba\n0.405165 0.810331 0.339547 Ba\n0.594835 0.189669 0.839547 Ba\n0.155494 0.310990 0.543806 Cd\n0.844506 0.689011 0.043807 Cd\n0.162324 0.324647 0.961436 Cd\n0.837676 0.675353 0.461436 Cd\n0.217236 0.434472 0.732592 Cd\n0.782764 0.565528 0.232592 Cd\n0.989685 0.979370 0.070493 S\n0.576725 0.153452 0.321046 S\n0.983426 0.966851 0.432193 S\n0.423275 0.846548 0.821046 S\n0.590859 0.181718 0.184211 S\n0.409141 0.818283 0.684211 S\n0.650339 0.300679 0.488696 S\n0.349661 0.699321 0.988696 S\n0.655264 0.310528 0.018554 S\n0.344736 0.689472 0.518554 S\n0.768582 0.537163 0.768164 S\n0.231418 0.462837 0.268164 S\n0.787523 0.575047 0.376633 S\n0.212477 0.424954 0.876633 S\n0.792679 0.585358 0.131661 S\n0.207321 0.414642 0.631661 S\n0.927637 0.855275 0.247199 S\n0.072363 0.144726 0.747199 S\n0.016574 0.033149 0.932193 S\n0.010315 0.020631 0.570493 S\n",
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{
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"created_at": "2022-09-04T14:37:29.338768Z",
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"structure_string": "Ba4 Re12 S22\n1.0\n8.530668 0.004029 8.498063\n3.532137 7.765071 8.498063\n0.006255 0.004029 12.041152\nBa Re S\n4 12 22\ndirect\n0.811954 0.811953 0.811951 Ba\n0.688048 0.688047 0.688046 Ba\n0.188048 0.188047 0.188047 Ba\n0.311953 0.311953 0.311952 Ba\n0.381292 0.708585 0.511529 Re\n0.791415 0.118709 0.988469 Re\n0.618709 0.291415 0.488470 Re\n0.118710 0.988470 0.791414 Re\n0.488471 0.618709 0.291414 Re\n0.011530 0.208585 0.881290 Re\n0.208586 0.881291 0.011529 Re\n0.881291 0.011530 0.208585 Re\n0.988471 0.791415 0.118708 Re\n0.511530 0.381291 0.708584 Re\n0.291415 0.488470 0.618708 Re\n0.708586 0.511530 0.381290 Re\n0.187384 0.793819 0.427978 S\n0.793819 0.427979 0.187382 S\n0.427980 0.187383 0.793818 S\n0.590904 0.590904 0.590903 S\n0.706182 0.312617 0.072020 S\n0.909097 0.909096 0.909095 S\n0.409097 0.409096 0.409096 S\n0.090904 0.090904 0.090904 S\n0.484295 0.750000 0.015705 S\n0.750000 0.015706 0.484294 S\n0.015706 0.484294 0.749999 S\n0.515706 0.250000 0.984293 S\n0.250001 0.984294 0.515705 S\n0.984295 0.515706 0.249999 S\n0.206182 0.572021 0.812616 S\n0.572022 0.812617 0.206181 S\n0.812618 0.206181 0.572020 S\n0.687384 0.927979 0.293818 S\n0.927980 0.293819 0.687382 S\n0.293820 0.687383 0.927978 S\n0.072021 0.706181 0.312617 S\n0.312618 0.072021 0.706181 S\n",
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{
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"structure_string": "La2 P6 H16 O14\n1.0\n7.102303 -0.027822 -1.002735\n-2.412411 7.041081 -2.686571\n0.015327 0.089645 8.751669\nLa P H O\n2 6 16 14\ndirect\n0.844370 0.684780 0.628707 La\n0.155630 0.315221 0.371293 La\n0.651942 0.311952 0.224579 P\n0.348058 0.688049 0.775421 P\n0.033979 0.189748 0.905131 P\n0.966021 0.810252 0.094869 P\n0.532573 0.286516 0.709030 P\n0.467427 0.713485 0.290970 P\n0.812132 0.209121 0.531626 H\n0.187869 0.790880 0.468374 H\n0.825033 0.000774 0.447881 H\n0.174967 -0.000773 0.552118 H\n0.454772 0.582391 0.130495 H\n0.452774 0.875890 0.261871 H\n0.547226 0.124111 0.738129 H\n0.545228 0.417609 0.869505 H\n0.054878 0.352906 0.866309 H\n0.775054 0.833313 0.088131 H\n0.224946 0.166688 0.911869 H\n0.361957 0.881139 0.832519 H\n0.638044 0.118862 0.167481 H\n0.345786 0.643703 0.919010 H\n0.654215 0.356298 0.080990 H\n0.945122 0.647095 0.133691 H\n0.672789 0.763655 0.402339 O\n0.327212 0.236346 0.597661 O\n0.285128 0.636377 0.349248 O\n0.714872 0.363623 0.650752 O\n0.003965 0.766877 0.921159 O\n-0.003964 0.233124 0.078841 O\n0.468578 0.337537 0.284930 O\n0.880839 0.021749 0.762656 O\n0.531422 0.662464 0.715070 O\n0.150481 0.567329 0.646279 O\n0.849519 0.432672 0.353721 O\n0.129749 0.869285 0.550308 O\n0.119161 0.978252 0.237344 O\n0.870252 0.130716 0.449692 O\n",
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"structure_string": "K4 Fe2 H8 S4 O20\n1.0\n6.782686 -0.033474 -2.503118\n-2.280643 9.986121 -3.505594\n0.016268 -0.015202 6.459380\nK Fe H S O\n4 2 8 4 20\ndirect\n0.746433 0.900899 0.189104 K\n0.253569 0.099101 0.810897 K\n0.238118 0.575496 0.812831 K\n0.761883 0.424505 0.187170 K\n0.473038 0.750054 0.498506 Fe\n0.526964 0.249947 0.501495 Fe\n0.073624 0.714062 0.369484 H\n0.827894 0.205161 0.343863 H\n0.172108 0.794840 0.656138 H\n0.926378 0.285938 0.630517 H\n0.820301 0.700834 0.562855 H\n0.151219 0.141622 0.375400 H\n0.848783 0.858379 0.624601 H\n0.179700 0.299166 0.437146 H\n0.273261 0.924948 0.173206 S\n0.726741 0.075053 0.826795 S\n0.728983 0.584136 0.813467 S\n0.271018 0.415865 0.186534 S\n0.165309 0.428756 0.350864 O\n0.875004 0.636081 0.064068 O\n0.124998 0.363919 0.935933 O\n0.229472 0.230171 0.500372 O\n0.400160 0.548921 0.243551 O\n0.770529 0.769830 0.499629 O\n0.834693 0.571245 0.649137 O\n0.599841 0.451080 0.756450 O\n0.409315 0.320404 0.217428 O\n0.433729 0.045925 0.237917 O\n0.622670 0.185171 0.787995 O\n0.377332 0.814829 0.212006 O\n0.846079 0.041783 0.679027 O\n0.153922 0.958217 0.320974 O\n0.858364 0.121344 0.084559 O\n0.141638 0.878657 0.915442 O\n0.566272 0.954075 0.762084 O\n0.189384 0.729367 0.518712 O\n0.590686 0.679597 0.782573 O\n0.810618 0.270634 0.481289 O\n",
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{
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"structure_string": "K6 Sb2 N6 O18 F6\n1.0\n7.163234 0.000000 -0.000000\n-0.000000 8.805638 -1.694284\n0.000000 -0.029555 8.967105\nK Sb N O F\n6 2 6 18 6\ndirect\n0.777069 0.029561 0.383429 K\n0.277070 0.970439 0.616572 K\n0.277070 0.383429 0.029561 K\n-0.011187 0.398198 0.601802 K\n0.488813 0.601802 0.398199 K\n0.777069 0.616571 0.970440 K\n0.843082 0.129053 0.870947 Sb\n0.343082 0.870947 0.129054 Sb\n0.979203 0.694449 0.305552 N\n0.479204 0.305551 0.694449 N\n0.757460 0.316975 0.207919 N\n0.257460 0.683024 0.792082 N\n0.757460 0.792081 0.683025 N\n0.257460 0.207919 0.316976 N\n0.751545 0.650333 0.639973 O\n0.808160 0.719465 0.280535 O\n0.064068 0.779881 0.412924 O\n0.154402 0.625275 0.879183 O\n0.751545 0.360027 0.349667 O\n0.251545 0.639973 0.650334 O\n0.308160 0.280534 0.719466 O\n0.871913 0.848324 0.790736 O\n0.564068 0.412923 0.779882 O\n0.871913 0.209265 0.151676 O\n0.654402 0.374724 0.120818 O\n0.654402 0.879183 0.625276 O\n0.371914 0.151676 0.209265 O\n0.154402 0.120817 0.374724 O\n0.251545 0.349667 0.360028 O\n0.371914 0.790735 0.848324 O\n0.564068 0.220119 0.587077 O\n0.064068 0.587076 0.220119 O\n0.445787 0.658327 0.110170 F\n0.098647 0.074647 0.925353 F\n0.598646 0.925353 0.074648 F\n0.945787 0.341673 0.889831 F\n0.445787 0.889830 0.341674 F\n0.945787 0.110169 0.658327 F\n",
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