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{
"id": "jvasp-43916",
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{
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"updated_at": "2022-09-04T14:38:35.239162Z",
"structure_string": "Nd4 Zr4 O14\n1.0\n6.516747 0.000000 3.762446\n2.172248 6.144048 3.762446\n-0.000000 -0.000000 7.524890\nNd Zr O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.500000 -0.000000 0.500000 Nd\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.000000 Zr\n0.500000 -0.000000 0.000000 Zr\n0.882729 0.367272 0.367272 O\n0.875001 0.875000 0.875001 O\n0.117272 0.117272 0.632728 O\n0.125000 0.125000 0.125000 O\n0.632729 0.632728 0.117272 O\n0.632728 0.117272 0.632728 O\n0.367272 0.882728 0.882728 O\n0.882729 0.882728 0.367272 O\n0.117272 0.632728 0.117272 O\n0.882729 0.367272 0.882728 O\n0.367272 0.882728 0.367272 O\n0.117272 0.632728 0.632728 O\n0.632728 0.117272 0.117272 O\n0.367272 0.367272 0.882728 O\n",
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{
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"structure_string": "As2 I6\n1.0\n6.310092 -0.097687 4.798134\n2.324383 5.867204 4.798132\n-0.146194 -0.097683 7.925780\nAs I\n2 6\ndirect\n0.173977 0.173977 0.173977 As\n0.826023 0.826023 0.826023 As\n0.420736 0.072042 0.756167 I\n0.756167 0.420735 0.072042 I\n0.072042 0.756167 0.420736 I\n0.579264 0.927957 0.243833 I\n0.243833 0.579264 0.927957 I\n0.927958 0.243833 0.579264 I\n",
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{
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"structure_string": "Li6 Mn6 O6 F10\n1.0\n5.125403 0.001523 2.710348\n-1.927182 9.762333 -2.550601\n0.073931 -0.000626 6.059675\nLi Mn O F\n6 6 6 10\ndirect\n0.183644 0.568078 0.199397 Li\n0.676767 0.065978 0.713250 Li\n0.883531 0.613783 0.843712 Li\n0.379674 0.110865 0.351545 Li\n-0.001223 0.014926 0.018763 Li\n0.503686 0.517810 0.511802 Li\n0.937107 0.311824 0.438007 Mn\n0.921320 0.307421 0.944226 Mn\n0.422157 0.807593 0.443976 Mn\n0.437763 0.812324 0.937055 Mn\n0.441972 0.307481 0.944237 Mn\n0.942288 0.808081 0.442234 Mn\n0.078836 0.695984 0.532235 O\n0.577441 0.196684 0.041542 O\n0.310377 0.903881 0.279971 O\n0.567880 0.720978 0.590635 O\n0.071190 0.216804 0.075013 O\n0.804722 0.408499 0.798664 O\n0.315840 0.450591 0.307970 F\n0.301553 0.429493 0.826731 F\n0.799895 0.931269 0.335396 F\n0.557019 0.685543 0.041491 F\n0.052126 0.174305 0.562569 F\n0.088212 0.685737 0.038099 F\n0.560454 0.174183 0.561941 F\n0.826866 0.450109 0.306888 F\n0.320163 0.939891 0.829920 F\n0.788737 0.939869 0.832727 F\n",
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{
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"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.258875 0.000000 -0.000000\n-1.629438 2.822126 -0.001738\n-0.000000 -0.020665 32.755204\nMo W Se S\n2 2 4 4\ndirect\n0.331900 0.663802 0.470041 Mo\n0.668099 0.336201 0.281417 Mo\n0.333011 0.666025 0.085396 W\n0.666988 0.333978 0.666062 W\n0.334077 0.668157 0.718147 Se\n0.665922 0.331846 0.033311 Se\n0.666881 0.333762 0.137544 Se\n0.333118 0.666240 0.613914 Se\n0.335042 0.670091 0.328587 S\n0.664956 0.329912 0.422871 S\n0.665437 0.330872 0.517233 S\n0.334562 0.669131 0.234225 S\n",
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{
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"created_at": "2022-09-04T14:38:20.135762Z",
"updated_at": "2022-09-04T14:38:20.135788Z",
"structure_string": "Na2 Ga1 Ag1 Br6\n1.0\n6.516091 -0.000000 3.762067\n2.172030 6.143430 3.762067\n-0.000000 -0.000000 7.524134\nNa Ga Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.758977 0.241023 0.241023 Br\n0.241023 0.241023 0.758977 Br\n0.241023 0.758977 0.758977 Br\n0.241023 0.758977 0.241023 Br\n0.758977 0.241023 0.758977 Br\n0.758977 0.758977 0.241024 Br\n",
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{
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"updated_at": "2022-09-04T14:36:38.206308Z",
"structure_string": "Li4 Mn2 Cr2 P4 O16\n1.0\n0.000000 4.736750 0.005428\n6.203159 0.000000 0.000000\n0.000000 -0.290851 -10.250670\nLi Mn Cr P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.031763 0.750000 0.283437 Mn\n0.968238 0.250000 0.716562 Mn\n0.558425 0.250000 0.214893 Cr\n0.441575 0.750000 0.785106 Cr\n0.423371 0.250000 0.910193 P\n0.906228 0.750000 0.595927 P\n0.093772 0.250000 0.404072 P\n0.576630 0.750000 0.089807 P\n0.284607 0.052338 0.839026 O\n0.284607 0.447662 0.839026 O\n0.778715 0.547284 0.662404 O\n0.778715 0.952716 0.662404 O\n0.233172 0.750000 0.603445 O\n0.215235 0.250000 0.546665 O\n0.784765 0.750000 0.453335 O\n0.252765 0.750000 0.090796 O\n0.221285 0.047284 0.337596 O\n0.221285 0.452716 0.337596 O\n0.715394 0.552338 0.160973 O\n0.715394 0.947662 0.160973 O\n0.747235 0.250000 0.909203 O\n0.307554 0.250000 0.051302 O\n0.766829 0.250000 0.396554 O\n0.692447 0.750000 0.948698 O\n",
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{
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"created_at": "2022-09-04T14:36:38.356050Z",
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"structure_string": "Te4 As2 I2 O1\n1.0\n6.372047 -0.041632 1.623164\n2.896022 5.926282 2.186182\n0.391081 -0.160198 8.011147\nTe As I O\n4 2 2 1\ndirect\n0.888875 0.217332 0.225454 Te\n0.068703 0.762582 0.726403 Te\n0.318598 0.085041 0.835272 Te\n0.713206 0.446478 0.758732 Te\n0.321781 0.409194 0.953651 As\n0.694167 0.717211 0.944823 As\n0.728343 0.877123 0.289202 I\n0.407025 0.508435 0.359548 I\n0.020203 0.137502 0.424212 O\n",
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{
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"created_at": "2022-09-04T14:38:16.112948Z",
"updated_at": "2022-09-04T14:38:16.112974Z",
"structure_string": "Sr6 Li2 Ru2 O12\n1.0\n6.703413 -0.006053 -0.272623\n-0.283689 6.697410 -0.272623\n-0.005807 -0.006053 6.708952\nSr Li Ru O\n6 2 2 12\ndirect\n0.890398 0.250001 0.609601 Sr\n0.390399 0.109601 0.750000 Sr\n0.750000 0.390400 0.109601 Sr\n0.109600 0.750000 0.390399 Sr\n0.249999 0.609601 0.890399 Sr\n0.609600 0.890400 0.250000 Sr\n0.250000 0.250000 0.250000 Li\n0.749999 0.750001 0.750000 Li\n0.000000 0.000000 0.000000 Ru\n0.499999 0.500000 0.500000 Ru\n0.219763 0.416188 0.546869 O\n0.083811 0.280237 0.953131 O\n0.953131 0.083812 0.280237 O\n0.546868 0.219764 0.416188 O\n0.583811 0.453132 0.780237 O\n0.780236 0.583812 0.453132 O\n0.719763 0.046869 0.916188 O\n0.916188 0.719764 0.046869 O\n0.046868 0.916188 0.719763 O\n0.453131 0.780237 0.583812 O\n0.416188 0.546869 0.219764 O\n0.280236 0.953132 0.083812 O\n",
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{
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"structure_string": "Sn7 Sb1\n1.0\n6.702819 -0.000000 -0.000000\n0.000000 6.702819 -0.000000\n0.000000 -0.000000 6.702819\nSn Sb\n7 1\ndirect\n0.253392 0.253392 0.753393 Sn\n0.000000 0.500000 0.000000 Sn\n0.253392 0.746608 0.246608 Sn\n0.500000 0.000000 0.000000 Sn\n0.746608 0.253392 0.246608 Sn\n0.500000 0.500000 0.500000 Sn\n0.746608 0.746608 0.753393 Sn\n0.000000 0.000000 0.500000 Sb\n",
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]
}