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{
"id": "jvasp-102795",
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{
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{
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"updated_at": "2022-09-04T14:36:15.480522Z",
"structure_string": "Ba4 Ge1 Mo1\n1.0\n-0.000000 4.899182 4.899182\n4.899182 0.000000 4.899182\n4.899182 4.899182 0.000000\nBa Ge Mo\n4 1 1\ndirect\n0.127083 0.624305 0.624305 Ba\n0.624305 0.624305 0.624305 Ba\n0.624305 0.127083 0.624305 Ba\n0.624305 0.624305 0.127083 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Mo\n",
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{
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"structure_string": "Ca2 Fe1 P2 H8 O12\n1.0\n5.901683 0.033183 -0.010990\n1.583158 6.240589 0.035912\n1.403988 2.030254 6.404784\nCa Fe P H O\n2 1 2 8 12\ndirect\n0.703658 0.664517 0.791178 Ca\n0.296343 0.335482 0.208821 Ca\n0.000000 0.000000 0.000000 Fe\n0.774176 0.562140 0.284564 P\n0.225825 0.437859 0.715435 P\n0.770104 0.171259 0.291829 H\n0.821640 0.143992 0.623559 H\n0.624904 0.167772 0.809993 H\n0.322468 0.061277 0.672994 H\n0.178360 0.856008 0.376440 H\n0.229896 0.828740 0.708170 H\n0.677533 0.938723 0.327005 H\n0.375096 0.832227 0.190006 H\n0.759854 0.053530 0.768651 O\n0.309328 0.905864 0.775354 O\n0.240147 0.946469 0.231348 O\n0.680953 0.681315 0.452509 O\n0.979941 0.668471 0.127537 O\n0.113181 0.690710 0.622422 O\n0.425940 0.407732 0.845966 O\n0.574060 0.592267 0.154033 O\n0.886820 0.309289 0.377577 O\n0.020059 0.331528 0.872462 O\n0.319048 0.318684 0.547490 O\n0.690672 0.094135 0.224645 O\n",
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{
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"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.957778 -0.008550 0.576966\n4.154977 2.704774 0.576966\n-0.012305 -0.003641 17.490970\nLi Mn Co O\n8 2 4 14\ndirect\n0.294476 0.294475 0.931293 Li\n0.856587 0.856584 0.776304 Li\n0.408868 0.408867 0.625283 Li\n-0.002956 -0.002956 0.501135 Li\n0.567312 0.567310 0.360931 Li\n0.142039 0.142038 0.220227 Li\n0.720151 0.720149 0.078668 Li\n0.710123 0.710121 0.562205 Li\n0.007409 0.007409 0.006073 Mn\n0.580143 0.580141 0.860400 Mn\n0.856428 0.856425 0.285134 Co\n0.431355 0.431354 0.145578 Co\n0.132729 0.132728 0.697572 Co\n0.282802 0.282800 0.427639 Co\n0.063141 0.063140 0.108562 O\n0.374452 0.374451 0.040922 O\n0.948737 0.948734 0.903614 O\n0.514286 0.514284 0.765326 O\n0.058536 0.058536 0.608816 O\n0.656171 0.656168 0.454969 O\n0.229593 0.229592 0.320158 O\n0.804147 0.804144 0.180642 O\n0.208656 0.208655 0.834073 O\n0.770808 0.770805 0.680605 O\n0.350069 0.350068 0.520635 O\n0.910659 0.910656 0.385868 O\n0.485125 0.485123 0.247137 O\n0.638189 0.638187 0.970239 O\n",
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{
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"created_at": "2022-09-04T14:38:54.108663Z",
"updated_at": "2022-09-04T14:38:54.108700Z",
"structure_string": "Sr3 Ti2 Mn2 Bi1 O12\n1.0\n5.273271 0.001865 7.905640\n2.396093 4.697460 7.905640\n0.003043 0.001865 9.502975\nSr Ti Mn Bi O\n3 2 2 1 12\ndirect\n0.747846 0.747844 0.747848 Sr\n0.500000 0.499999 0.500001 Sr\n0.252154 0.252153 0.252155 Sr\n0.124474 0.124474 0.124475 Ti\n0.875525 0.875524 0.875528 Ti\n0.625242 0.625241 0.625243 Mn\n0.374758 0.374757 0.374759 Mn\n0.000000 0.000000 0.000000 Bi\n0.250217 0.752703 0.752705 O\n-0.000000 0.499999 0.500001 O\n-0.000000 -0.000001 0.500001 O\n0.247296 0.247295 0.749784 O\n0.752703 0.752703 0.250219 O\n0.500000 -0.000001 0.500001 O\n0.752704 0.250216 0.752705 O\n-0.000000 0.500000 0.000000 O\n0.749782 0.247295 0.247297 O\n0.247296 0.749782 0.247297 O\n0.500000 0.499999 0.000001 O\n0.500000 -0.000001 0.000000 O\n",
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{
"id": "jvasp-10814",
"created_at": "2022-09-04T14:37:12.146198Z",
"updated_at": "2022-09-04T14:37:12.146214Z",
"structure_string": "Mg1 Cr4 S8\n1.0\n6.920053 0.010069 0.007120\n3.468747 6.008044 0.000000\n3.468747 2.002681 5.664440\nMg Cr S\n1 4 8\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.000001 0.500000 0.500000 Cr\n0.500000 0.500000 -0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.254191 0.257257 0.257257 S\n0.254191 0.257257 0.731295 S\n0.254191 0.731294 0.257257 S\n0.729823 0.256726 0.256726 S\n0.270178 0.743274 0.743274 S\n0.745810 0.742742 0.268705 S\n0.745810 0.268705 0.742743 S\n0.745810 0.742742 0.742743 S\n",
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{
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"created_at": "2022-09-04T14:35:44.837121Z",
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"structure_string": "Sm2 Br6\n1.0\n4.041974 0.000000 0.000000\n-2.020987 6.372230 0.000000\n0.000000 0.000000 9.132642\nSm Br\n2 6\ndirect\n0.742789 0.485579 0.250000 Sm\n0.257209 0.514420 0.750000 Sm\n0.354448 0.708896 0.434305 Br\n0.645551 0.291104 0.565694 Br\n0.918025 0.836053 0.750000 Br\n0.081973 0.163947 0.250000 Br\n0.354448 0.708896 0.065694 Br\n0.645551 0.291104 0.934305 Br\n",
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"structure_string": "Sr4 Co4 O10\n1.0\n5.202169 0.081045 -7.427228\n-0.406628 5.141660 -7.458608\n-0.111582 -0.081045 9.067184\nSr Co O\n4 4 10\ndirect\n0.615792 0.620583 0.015835 Sr\n0.384208 0.400043 0.004791 Sr\n0.104748 0.120584 0.004792 Sr\n0.895252 0.900043 0.015835 Sr\n0.500000 0.009684 0.509684 Co\n0.000000 0.509684 0.509684 Co\n0.680243 0.221191 0.401433 Co\n0.319758 0.721192 0.540949 Co\n0.874522 0.374381 0.536927 O\n0.125478 0.662407 0.499860 O\n0.337454 0.874382 0.499860 O\n0.662547 0.162407 0.536927 O\n0.748405 0.256655 0.009679 O\n0.746976 0.756656 0.508250 O\n0.251595 0.261275 0.508251 O\n0.629271 0.882748 0.012018 O\n0.253023 0.761274 0.009679 O\n0.370728 0.382748 0.253476 O\n",
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{
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"created_at": "2022-09-04T14:37:20.018661Z",
"updated_at": "2022-09-04T14:37:20.018686Z",
"structure_string": "Ca2 Sn4 O10\n1.0\n3.978215 0.000059 0.000000\n-1.988890 5.458182 0.000000\n0.000000 0.000000 10.834248\nCa Sn O\n2 4 10\ndirect\n0.807202 0.614281 0.750000 Ca\n0.192800 0.385720 0.250000 Ca\n0.131569 0.263039 0.563317 Sn\n0.868433 0.736962 0.436682 Sn\n0.868433 0.736962 0.063318 Sn\n0.131569 0.263039 0.936683 Sn\n0.801430 0.603020 0.250000 O\n0.198572 0.396980 0.750000 O\n0.305897 0.611865 0.053191 O\n0.694106 0.388136 0.946809 O\n0.694106 0.388136 0.553191 O\n0.305897 0.611865 0.446808 O\n-0.047976 -0.095377 0.609429 O\n0.047976 0.095376 0.390571 O\n-0.047976 -0.095377 0.890571 O\n0.047976 0.095376 0.109430 O\n",
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}