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"id": "jvasp-66356",
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"structure_string": "Ba4 Si1 Ru1\n1.0\n0.000000 4.769077 4.769077\n4.769077 0.000000 4.769077\n4.769077 4.769077 0.000000\nBa Si Ru\n4 1 1\ndirect\n0.124660 0.625114 0.625114 Ba\n0.625114 0.625114 0.625114 Ba\n0.625114 0.124660 0.625114 Ba\n0.625114 0.625114 0.124660 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ru\n",
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{
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"structure_string": "Bi5 I1\n1.0\n2.203798 -3.817098 0.000000\n2.203798 3.817098 -0.000000\n0.000000 -0.000000 12.894326\nBi I\n5 1\ndirect\n0.666667 0.333334 0.063177 Bi\n0.666667 0.333334 0.583691 Bi\n0.333334 0.666667 0.436822 Bi\n0.333334 0.666667 0.916307 Bi\n0.000000 0.000000 0.750001 Bi\n0.000000 0.000000 0.250002 I\n",
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{
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"structure_string": "Ca4 Mn4 O8\n1.0\n3.374689 -0.043237 0.100425\n0.913949 7.473223 0.178126\n0.828360 1.312990 8.639946\nCa Mn O\n4 4 8\ndirect\n0.754167 0.706535 0.974925 Ca\n0.245403 0.269750 0.039790 Ca\n0.711236 0.901663 0.329087 Ca\n0.278033 0.066748 0.700610 Ca\n0.705072 0.427251 0.719318 Mn\n0.081875 0.617387 0.666410 Mn\n0.818511 0.306287 0.362004 Mn\n0.323843 0.581798 0.286491 Mn\n0.664642 0.430522 0.160863 O\n0.777009 0.261993 0.577745 O\n0.188824 0.705098 0.454010 O\n0.323074 0.543604 0.857268 O\n0.804770 0.208586 0.876264 O\n0.840447 0.843399 0.716783 O\n0.181308 0.789489 0.133927 O\n0.172851 0.114263 0.305174 O\n",
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{
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"updated_at": "2022-09-04T14:37:01.277448Z",
"structure_string": "Li12 W2 N8\n1.0\n6.663721 0.000000 -0.000000\n0.000000 6.663721 -0.000000\n-0.000000 -0.000000 4.885561\nLi W N\n12 2 8\ndirect\n0.212871 0.787129 0.000000 Li\n0.500000 0.000000 0.076892 Li\n0.000000 0.500000 0.923108 Li\n0.000000 0.500000 0.423108 Li\n0.712871 0.287129 0.500000 Li\n0.787129 0.787129 0.000000 Li\n0.500000 0.000000 0.576892 Li\n0.287129 0.712871 0.500000 Li\n0.787129 0.212871 0.000000 Li\n0.712871 0.712871 0.500000 Li\n0.287129 0.287129 0.500000 Li\n0.212871 0.212871 0.000000 Li\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.500000 0.257123 0.798331 N\n0.000000 0.757123 0.701668 N\n0.000000 0.242877 0.701668 N\n0.742877 0.500000 0.201668 N\n0.257123 0.500000 0.201668 N\n0.757123 0.000000 0.298332 N\n0.500000 0.742877 0.798331 N\n0.242877 0.000000 0.298332 N\n",
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{
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"created_at": "2022-09-04T14:36:59.605922Z",
"updated_at": "2022-09-04T14:36:59.605949Z",
"structure_string": "Te2 Mo2 S2\n1.0\n3.367567 0.000000 0.000000\n-1.683783 2.916399 -0.000071\n0.000000 -0.000563 22.089879\nTe Mo S\n2 2 2\ndirect\n0.333381 0.666761 0.537788 Te\n0.333348 0.666696 0.366455 Te\n0.333304 0.666606 0.149674 Mo\n0.666698 0.333395 0.452247 Mo\n0.666625 0.333247 0.081285 S\n0.666651 0.333299 0.218156 S\n",
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{
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"created_at": "2022-09-04T14:38:54.825997Z",
"updated_at": "2022-09-04T14:38:54.826024Z",
"structure_string": "Li4 Ti2 V4 O12\n1.0\n5.716267 0.008733 -1.306951\n-0.291727 5.774299 -1.423220\n0.015629 -0.046038 6.580616\nLi Ti V O\n4 2 4 12\ndirect\n0.335082 0.849777 0.344399 Li\n0.835089 0.849778 0.344392 Li\n0.498246 0.483556 0.988936 Li\n0.998240 0.483553 0.988943 Li\n0.666669 0.666687 0.666675 Ti\n0.166660 0.666646 0.666663 Ti\n0.489486 0.010542 0.993183 V\n0.343843 0.322787 0.340154 V\n0.989538 0.010544 0.993192 V\n0.843792 0.322787 0.340147 V\n0.083547 0.088593 0.315810 O\n0.583535 0.088553 0.315812 O\n0.917361 0.890113 0.670945 O\n0.417342 0.890113 0.670948 O\n0.915969 0.443220 0.662391 O\n0.741957 0.767115 0.988142 O\n0.091371 0.566219 0.345194 O\n0.591371 0.566249 0.345189 O\n0.241957 0.767084 0.988146 O\n0.249794 0.244781 0.017523 O\n0.415987 0.443220 0.662388 O\n0.749781 0.244741 0.017525 O\n",
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{
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"updated_at": "2022-09-04T14:37:39.507106Z",
"structure_string": "K2 Te2 O2 F6\n1.0\n0.000000 5.800824 -1.020505\n4.700363 0.000000 0.000000\n0.000000 -1.334707 -7.722524\nK Te O F\n2 2 2 6\ndirect\n0.255710 0.654165 0.631952 K\n0.744289 0.154166 0.368048 K\n0.750868 0.162144 0.849741 Te\n0.249131 0.662144 0.150260 Te\n0.543192 0.074627 0.688176 O\n0.456807 0.574627 0.311824 O\n0.581606 -0.007337 0.060580 F\n0.100476 0.279475 0.139348 F\n0.899523 0.779475 0.860652 F\n0.004733 0.703924 0.342544 F\n-0.004734 0.203924 0.657455 F\n0.418394 0.492662 -0.060579 F\n",
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{
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"created_at": "2022-09-04T14:37:30.262172Z",
"updated_at": "2022-09-04T14:37:30.262193Z",
"structure_string": "Er2 Pu6\n1.0\n3.397237 -5.884188 0.000000\n3.397237 5.884188 0.000000\n-0.000000 -0.000000 5.427275\nEr Pu\n2 6\ndirect\n0.333333 0.666667 0.750001 Er\n0.666667 0.333333 0.250000 Er\n0.672409 0.836205 0.250000 Pu\n0.163796 0.836205 0.250000 Pu\n0.163796 0.327592 0.250000 Pu\n0.327592 0.163796 0.750001 Pu\n0.836205 0.163796 0.750001 Pu\n0.836205 0.672409 0.750001 Pu\n",
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{
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"structure_string": "La2 Mg2 Fe2 Cu2 O12\n1.0\n5.174842 0.125048 0.000034\n-0.207746 7.824519 -0.000279\n-0.000040 0.000192 5.355620\nLa Mg Fe Cu O\n2 2 2 2 12\ndirect\n0.989363 0.250566 0.040252 La\n0.489364 0.750569 0.459747 La\n0.533319 0.246471 0.559033 Mg\n0.033318 0.746472 0.940968 Mg\n0.501871 0.502500 0.992693 Fe\n0.001872 0.002500 0.507307 Fe\n0.496676 0.000193 0.004756 Cu\n0.996674 0.500194 0.495242 Cu\n0.769497 0.064292 0.761076 O\n0.269496 0.564293 0.738922 O\n0.427231 0.274566 0.949878 O\n0.927230 0.774566 0.550120 O\n0.697927 0.055878 0.306970 O\n0.139246 0.222649 0.485045 O\n0.680984 0.438406 0.293837 O\n0.180983 0.938406 0.206163 O\n0.263881 0.944476 0.737998 O\n0.639245 0.722649 0.014954 O\n0.197926 0.555878 0.193030 O\n0.763883 0.444475 0.761999 O\n",
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{
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"structure_string": "Sn1 I3\n1.0\n6.009233 -0.000000 -0.000000\n-0.000000 6.009233 0.000000\n-0.000000 -0.000000 6.009233\nSn I\n1 3\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 0.000000 I\n0.000000 0.000000 0.500000 I\n0.000000 0.500000 0.000000 I\n",
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{
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"structure_string": "Li6 Nb2 V4 O12\n1.0\n5.613820 -0.086445 -1.197528\n-0.518882 5.897410 -1.668871\n0.113282 -0.194800 6.598385\nLi Nb V O\n6 2 4 12\ndirect\n0.831218 0.840632 0.321835 Li\n0.335451 0.826033 0.344834 Li\n0.003066 0.490587 0.001007 Li\n0.494494 0.520657 0.985958 Li\n0.163601 0.176080 0.665660 Li\n0.672170 0.146012 0.680703 Li\n0.815010 0.341273 0.343428 Nb\n0.351657 0.325392 0.323236 Nb\n0.473546 0.006005 0.008611 V\n0.142955 0.688569 0.688738 V\n0.023707 0.978096 0.977927 V\n0.693124 0.660661 0.658053 V\n0.073873 0.087893 0.318170 O\n0.758914 0.216784 0.004870 O\n0.243450 0.249128 -0.016350 O\n0.923216 0.417537 0.683016 O\n0.407751 0.449883 0.661796 O\n0.915588 0.922371 0.661200 O\n0.423400 0.893683 0.684624 O\n0.251076 0.744293 0.005465 O\n0.743270 0.772980 0.982040 O\n0.092796 0.578775 0.348497 O\n0.583728 0.604547 0.327150 O\n0.582938 0.062122 0.339519 O\n",
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}