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{
"id": "jvasp-13834",
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"structure_string": "Ba2 Y1 Cu4 O8\n1.0\n3.946570 0.000000 0.000000\n0.000000 3.718767 -0.532730\n0.000000 0.194320 14.602415\nBa Y Cu O\n2 1 4 8\ndirect\n0.500000 0.358683 0.717366 Ba\n0.500000 0.641317 0.282635 Ba\n0.500000 0.000000 0.000000 Y\n0.000000 0.925495 0.850988 Cu\n0.000000 0.074506 0.149012 Cu\n0.000000 0.786541 0.573081 Cu\n0.000000 0.213460 0.426920 Cu\n0.000000 0.851136 0.702271 O\n0.000000 0.148865 0.297729 O\n0.000000 0.455701 0.911402 O\n0.000000 0.544300 0.088599 O\n0.500000 0.925189 0.850377 O\n0.500000 0.074812 0.149623 O\n0.000000 0.279599 0.559198 O\n0.000000 0.720402 0.440803 O\n",
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{
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"structure_string": "Rb2 Sm4 Cu2 S8\n1.0\n4.039956 0.000000 0.000000\n-2.019978 6.945563 0.000000\n0.000000 -0.000000 13.923292\nRb Sm Cu S\n2 4 2 8\ndirect\n0.892622 0.785243 0.250000 Rb\n0.107378 0.214756 0.750000 Rb\n0.365744 0.731488 0.938115 Sm\n0.634256 0.268511 0.438115 Sm\n0.365744 0.731488 0.561885 Sm\n0.634256 0.268511 0.061885 Sm\n0.836144 0.672288 0.750000 Cu\n0.163856 0.327712 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.572928 0.145854 0.250000 S\n0.427073 0.854145 0.750000 S\n0.261634 0.523268 0.388453 S\n0.738366 0.476732 0.888453 S\n0.738366 0.476732 0.611547 S\n0.261634 0.523268 0.111547 S\n",
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{
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"updated_at": "2022-09-04T14:37:10.331726Z",
"structure_string": "Li3 Mn3 B3 O9\n1.0\n4.095203 -7.093099 -0.000000\n4.095203 7.093099 -0.000000\n-0.000000 -0.000000 3.133130\nLi Mn B O\n3 3 3 9\ndirect\n0.285142 0.299776 0.500000 Li\n0.014632 0.714858 0.500000 Li\n0.700224 0.985367 0.500000 Li\n0.990181 0.360409 0.000000 Mn\n0.370228 0.009819 0.000000 Mn\n0.639590 0.629771 0.000000 Mn\n0.000000 0.000000 0.000000 B\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.748593 0.528501 0.500000 O\n0.424042 0.861828 0.500000 O\n0.138172 0.562214 0.500000 O\n0.437785 0.575957 0.500000 O\n0.080176 0.885038 0.000000 O\n0.114961 0.195137 0.000000 O\n0.804862 0.919823 0.000000 O\n0.779908 0.251406 0.500000 O\n0.471498 0.220091 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:37:28.346297Z",
"updated_at": "2022-09-04T14:37:28.346320Z",
"structure_string": "Li2 Co2 Sn2 O8\n1.0\n-3.136563 1.747850 4.802589\n-3.136563 5.110541 0.047026\n-3.136563 -1.747850 -4.802589\nLi Co Sn O\n2 2 2 8\ndirect\n0.749999 0.120191 0.629808 Li\n0.250000 0.879809 0.370190 Li\n0.500000 -0.000000 -0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.500000 0.500000 -0.000001 Sn\n-0.000000 0.500000 0.499999 Sn\n0.541391 0.746372 0.795017 O\n0.958608 0.746372 0.212235 O\n0.989453 0.277567 0.232979 O\n0.510547 0.756473 0.232979 O\n0.489453 0.243526 0.767020 O\n0.010546 0.722433 0.767020 O\n0.041391 0.253628 0.787763 O\n0.458608 0.253628 0.204981 O\n",
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{
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"structure_string": "Li4 Cu2 P2 O8\n1.0\n3.637737 3.818734 0.008012\n-3.637737 3.818734 -0.008012\n0.044606 0.000000 6.176060\nLi Cu P O\n4 2 2 8\ndirect\n0.314723 0.685276 0.750843 Li\n0.178129 0.178128 0.500000 Li\n0.821871 0.821870 0.500000 Li\n0.685276 0.314723 0.249157 Li\n0.183493 0.183493 -0.000000 Cu\n0.816506 0.816506 -0.000000 Cu\n0.327241 0.672758 0.261435 P\n0.672758 0.327241 0.738565 P\n0.217104 0.782895 0.045991 O\n0.196743 0.803256 0.461272 O\n0.619214 0.705747 0.267135 O\n0.294252 0.380785 0.267135 O\n0.380785 0.294252 0.732865 O\n0.705747 0.619214 0.732865 O\n0.803257 0.196742 0.538728 O\n0.782895 0.217104 0.954009 O\n",
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{
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"created_at": "2022-09-04T14:37:07.046539Z",
"updated_at": "2022-09-04T14:37:07.046568Z",
"structure_string": "K2 Rb1 Y1 F6\n1.0\n5.833346 -0.000000 3.367884\n1.944449 5.499731 3.367884\n-0.000000 -0.000000 6.735768\nK Rb Y F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 Y\n0.773159 0.226841 0.226840 F\n0.226841 0.226841 0.773159 F\n0.226842 0.773159 0.773158 F\n0.226842 0.773159 0.226841 F\n0.773159 0.226841 0.773158 F\n0.773160 0.773159 0.226840 F\n",
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{
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"created_at": "2022-09-04T14:37:20.196883Z",
"updated_at": "2022-09-04T14:37:20.196898Z",
"structure_string": "Li4 V8 O12 F4\n1.0\n5.784142 -0.000426 -0.000016\n0.000319 6.068663 -0.001099\n0.000676 0.001570 8.482303\nLi V O F\n4 8 12 4\ndirect\n0.015839 0.000003 0.019389 Li\n0.515874 0.000001 0.230537 Li\n0.484154 0.499998 0.519385 Li\n0.984134 0.500003 0.730533 Li\n0.499982 0.749959 0.875007 V\n0.499983 0.250038 0.875006 V\n0.260037 -0.000000 0.646438 V\n0.759805 -0.000001 0.603578 V\n0.000016 0.249960 0.375010 V\n0.239970 0.500000 0.146440 V\n0.740192 0.500000 0.103577 V\n0.000021 0.750037 0.375005 V\n0.014342 0.777080 0.610279 O\n0.727736 0.500000 0.877710 O\n0.272350 -0.000003 0.872319 O\n0.514353 0.776898 0.639720 O\n0.514354 0.223100 0.639718 O\n0.014344 0.222921 0.610283 O\n0.485656 0.277070 0.110281 O\n0.227649 0.499999 0.372317 O\n0.985644 0.276909 0.139722 O\n0.985654 0.723091 0.139718 O\n0.485661 0.722929 0.110283 O\n0.772262 -0.000005 0.377712 O\n0.749707 0.000000 0.872032 F\n0.750290 0.499998 0.372034 F\n0.249796 0.000003 0.377978 F\n0.250207 0.499996 0.877978 F\n",
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{
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"updated_at": "2022-09-04T14:37:20.197325Z",
"structure_string": "Ca6 Fe2 Rh2 O12\n1.0\n6.409717 0.001523 -0.181481\n-0.186736 6.406996 -0.181481\n0.001479 0.001523 6.412286\nCa Fe Rh O\n6 2 2 12\ndirect\n0.618827 0.881173 0.250000 Ca\n0.250000 0.618827 0.881174 Ca\n0.881173 0.249999 0.618828 Ca\n0.381173 0.118826 0.750001 Ca\n0.118826 0.750000 0.381174 Ca\n0.750000 0.381173 0.118827 Ca\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750001 Fe\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500001 Rh\n0.960500 0.097437 0.299428 O\n0.539500 0.200572 0.402563 O\n0.402562 0.539500 0.200572 O\n0.200572 0.402562 0.539500 O\n0.700572 0.039499 0.902563 O\n0.799428 0.597438 0.460501 O\n0.039499 0.902562 0.700573 O\n0.460500 0.799428 0.597439 O\n0.597438 0.460500 0.799429 O\n0.299427 0.960500 0.097438 O\n0.902562 0.700572 0.039500 O\n0.097438 0.299428 0.960501 O\n",
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"structure_string": "Ba1 Ag2 Ge1 Se4\n1.0\n6.113701 -0.016672 -2.480647\n-3.558004 5.392099 -1.340561\n0.041951 0.016672 6.597665\nBa Ag Ge Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.817272 0.317272 Ag\n0.500000 0.182729 0.682729 Ag\n0.000000 0.500000 0.500000 Ge\n0.003567 0.858758 0.473180 Se\n0.996433 0.469613 0.855192 Se\n0.614421 0.141242 0.144809 Se\n0.385579 0.530387 0.526821 Se\n",
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{
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"structure_string": "Ho4 Se4 O12 F4\n1.0\n0.000000 6.602497 0.030501\n6.866468 0.000000 0.000000\n0.000000 -1.104126 -7.070181\nHo Se O F\n4 4 12 4\ndirect\n0.137752 0.140663 0.823854 Ho\n0.862248 0.859337 0.176146 Ho\n0.862247 0.640664 0.676146 Ho\n0.137753 0.359337 0.323854 Ho\n0.643750 0.383298 0.208626 Se\n0.356250 0.616703 0.791374 Se\n0.356251 0.883298 0.291374 Se\n0.643749 0.116702 0.708626 Se\n0.824868 0.535200 0.352383 O\n0.824868 0.964800 0.852383 O\n0.175132 0.035200 0.147617 O\n0.823049 0.304348 0.716695 O\n0.514535 0.811921 0.136886 O\n0.514534 0.688080 0.636886 O\n0.485465 0.311921 0.363114 O\n0.823049 0.195652 0.216695 O\n0.175132 0.464800 0.647617 O\n0.485465 0.188079 0.863114 O\n0.176951 0.695652 0.283305 O\n0.176951 0.804348 0.783305 O\n0.169203 0.110583 0.523331 F\n0.830797 0.610583 0.976669 F\n0.169203 0.389417 0.023331 F\n0.830797 0.889417 0.476669 F\n",
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"structure_string": "Zn1 H10 C7 O4\n1.0\n3.979446 0.215298 0.400351\n1.309914 4.259149 0.462015\n-0.529882 0.367828 11.196068\nZn H C O\n1 10 7 4\ndirect\n0.350160 0.863316 0.191464 Zn\n0.116696 0.645939 0.579339 H\n0.085738 0.594874 0.810848 H\n0.617157 0.707712 0.810318 H\n0.666403 0.251498 0.693353 H\n0.135146 0.125764 0.695396 H\n0.137506 0.064554 0.927435 H\n0.676649 0.154313 0.916442 H\n0.136883 0.175475 0.467714 H\n0.661811 0.333939 0.461141 H\n0.646490 0.780318 0.577944 H\n0.923405 0.612315 0.354173 C\n0.901932 0.396486 0.466424 C\n0.887707 0.563210 0.579753 C\n0.890498 0.340461 0.694517 C\n0.866715 0.499940 0.809417 C\n-0.118156 0.264407 0.921601 C\n0.806936 0.411063 0.039177 C\n0.961017 0.258943 0.135522 O\n0.217522 0.536601 0.296266 O\n0.655171 0.865817 0.324400 O\n0.566659 0.691014 0.039000 O\n",
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{
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"structure_string": "Na2 Ag2 C4 O8\n1.0\n3.226403 -0.007494 -0.232036\n0.124194 5.508565 -0.071736\n0.185613 0.170060 10.614785\nNa Ag C O\n2 2 4 8\ndirect\n0.375288 0.437202 0.156230 Na\n0.624709 0.562798 0.843769 Na\n0.697234 0.939111 0.335863 Ag\n0.302763 0.060889 0.664137 Ag\n0.071621 0.428159 0.441334 C\n0.928376 0.571841 0.558666 C\n0.908371 0.948038 0.060978 C\n0.091626 0.051962 0.939022 C\n0.118187 0.901664 0.848582 O\n0.881810 0.098336 0.151418 O\n0.200803 0.269691 0.938903 O\n0.799193 0.730309 0.061097 O\n0.015712 0.484914 0.667242 O\n-0.015715 0.515085 0.332758 O\n0.727323 0.769874 0.536703 O\n0.272673 0.230125 0.463296 O\n",
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]
}