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"structure_string": "Ba4 Si1 Bi1\n1.0\n0.000000 4.922790 4.922790\n4.922790 0.000000 4.922790\n4.922790 4.922790 0.000000\nBa Si Bi\n4 1 1\ndirect\n0.125149 0.624950 0.624950 Ba\n0.624950 0.624950 0.624950 Ba\n0.624950 0.125149 0.624950 Ba\n0.624950 0.624950 0.125149 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Bi\n",
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"structure_string": "Ba4 Si10 N16\n1.0\n5.831452 0.000000 0.000000\n0.000000 7.019025 0.000000\n0.000000 0.000000 9.463898\nBa Si N\n4 10 16\ndirect\n0.500000 0.121599 0.132275 Ba\n0.000000 0.878402 0.632275 Ba\n0.500000 0.145553 0.499610 Ba\n0.000000 0.854448 -0.000390 Ba\n0.250944 0.663597 0.320856 Si\n0.249056 0.336404 0.820856 Si\n0.749056 0.663597 0.320856 Si\n0.000000 0.052316 0.322473 Si\n0.750944 0.336404 0.820856 Si\n0.000000 0.419330 0.539416 Si\n0.500000 0.580671 0.039416 Si\n0.000000 0.399555 0.103477 Si\n0.500000 0.600446 0.603477 Si\n0.500000 0.947685 0.822473 Si\n0.253245 0.553722 0.493232 N\n0.238405 0.905144 0.330370 N\n0.261595 0.094857 0.830371 N\n0.761594 0.905144 0.330370 N\n0.738405 0.094857 0.830371 N\n0.246755 0.446278 0.993232 N\n0.753245 0.446278 0.993232 N\n0.500000 0.580564 0.229574 N\n0.000000 0.576180 0.235412 N\n0.500000 0.423821 0.735413 N\n0.000000 0.175222 0.164723 N\n0.500000 0.824779 0.664724 N\n0.000000 0.419437 0.729575 N\n0.000000 0.198035 0.471165 N\n0.746755 0.553722 0.493232 N\n0.500000 0.801965 0.971165 N\n",
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"created_at": "2022-09-04T14:36:10.309656Z",
"updated_at": "2022-09-04T14:36:10.309689Z",
"structure_string": "Ba4 Se1 Cl1\n1.0\n0.000000 4.925177 4.925177\n4.925177 0.000000 4.925177\n4.925177 4.925177 -0.000000\nBa Se Cl\n4 1 1\ndirect\n0.122726 0.625758 0.625758 Ba\n0.625758 0.625758 0.625758 Ba\n0.625758 0.122726 0.625758 Ba\n0.625758 0.625758 0.122726 Ba\n0.000000 0.000000 0.000000 Se\n0.250000 0.250000 0.250000 Cl\n",
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{
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"created_at": "2022-09-04T14:38:16.158143Z",
"updated_at": "2022-09-04T14:38:16.158170Z",
"structure_string": "Ba4 Se1 Br1\n1.0\n-0.000000 4.952026 4.952026\n4.952026 -0.000000 4.952026\n4.952026 4.952026 -0.000000\nBa Se Br\n4 1 1\ndirect\n0.122788 0.625738 0.625738 Ba\n0.625738 0.625738 0.625738 Ba\n0.625738 0.122788 0.625738 Ba\n0.625738 0.625738 0.122788 Ba\n0.000000 0.000000 0.000000 Se\n0.250000 0.250000 0.250000 Br\n",
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{
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"created_at": "2022-09-04T14:36:06.114163Z",
"updated_at": "2022-09-04T14:36:06.114184Z",
"structure_string": "Ba4 Sc8 Te16\n1.0\n4.297208 0.000000 0.000000\n-0.000000 13.399938 0.000000\n0.000000 0.000000 15.640352\nBa Sc Te\n4 8 16\ndirect\n0.750000 0.762676 0.327772 Ba\n0.750000 0.262676 0.172228 Ba\n0.250000 0.737324 0.827771 Ba\n0.250000 0.237324 0.672228 Ba\n0.250000 0.580401 0.096480 Sc\n0.750000 0.419599 0.903520 Sc\n0.250000 0.056009 0.890365 Sc\n0.750000 0.919599 0.596480 Sc\n0.750000 0.943991 0.109635 Sc\n0.250000 0.556009 0.609635 Sc\n0.750000 0.443991 0.390365 Sc\n0.250000 0.080401 0.403520 Sc\n0.250000 0.878141 0.473729 Te\n0.750000 0.121859 0.526271 Te\n0.250000 0.378141 0.026271 Te\n0.750000 0.621859 0.973729 Te\n0.250000 0.797014 0.148997 Te\n0.750000 0.202986 0.851003 Te\n0.250000 0.297014 0.351003 Te\n0.250000 0.588149 0.426350 Te\n0.750000 0.411851 0.573650 Te\n0.750000 0.911851 0.926349 Te\n0.250000 0.971645 0.715533 Te\n0.750000 0.028355 0.284467 Te\n0.250000 0.471645 0.784467 Te\n0.750000 0.528355 0.215533 Te\n0.750000 0.702986 0.648997 Te\n0.250000 0.088149 0.073650 Te\n",
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"created_at": "2022-09-04T14:37:05.040906Z",
"updated_at": "2022-09-04T14:37:05.040929Z",
"structure_string": "Ba4 Sc2 Ir2 O12\n1.0\n-0.000000 5.804611 -0.000050\n5.804663 -0.000000 -0.000000\n0.000000 -5.804429 -8.208890\nBa Sc Ir O\n4 2 2 12\ndirect\n0.250001 0.500024 0.749990 Ba\n0.749999 0.499975 0.250010 Ba\n0.749999 0.000024 0.750010 Ba\n0.250001 -0.000024 0.249990 Ba\n0.000000 0.500000 -0.000000 Sc\n-0.000000 -0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.743407 0.256629 0.500007 O\n0.256593 0.756629 -0.000007 O\n0.256596 0.243396 0.999971 O\n0.743404 0.743395 0.500029 O\n0.743404 0.756604 0.000029 O\n0.256644 -0.000010 0.756613 O\n0.743356 0.000010 0.243387 O\n0.256644 0.500010 0.256613 O\n0.743407 0.243371 0.000007 O\n0.743356 0.499989 0.743387 O\n0.256596 0.256604 0.499971 O\n0.256593 0.743371 0.499993 O\n",
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"structure_string": "Ba4 Sc2 Cu2 O9\n1.0\n8.501325 0.012032 2.981419\n6.462183 5.533967 2.905455\n-0.006587 0.017838 5.886874\nBa Sc Cu O\n4 2 2 9\ndirect\n0.877905 0.385486 0.122095 Ba\n0.385486 0.877905 0.614513 Ba\n0.614514 0.122095 0.385486 Ba\n0.122094 0.614514 0.877904 Ba\n0.500000 -0.000000 -0.000000 Sc\n-0.000001 0.500000 0.499999 Sc\n0.731063 0.268937 0.731063 Cu\n0.268936 0.731064 0.268936 Cu\n0.250000 0.250000 0.250000 O\n0.256288 0.256289 0.743711 O\n0.743711 0.743712 0.256288 O\n0.882720 0.341516 0.658484 O\n0.658484 0.117280 0.882720 O\n0.341515 0.882721 0.117279 O\n0.750000 0.750000 0.749999 O\n0.117279 0.658485 0.341515 O\n0.500000 0.500000 0.499999 O\n",
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