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{
"id": "jvasp-99694",
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"structure_string": "K2 Na1 Ir1 F6\n1.0\n5.165006 0.000000 2.982018\n1.721669 4.869614 2.982018\n0.000000 -0.000000 5.964036\nK Na Ir F\n2 1 1 6\ndirect\n0.750001 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Ir\n0.759546 0.240455 0.240455 F\n0.240455 0.240455 0.759546 F\n0.240456 0.759544 0.759546 F\n0.240456 0.759544 0.240456 F\n0.759546 0.240455 0.759546 F\n0.759546 0.759544 0.240456 F\n",
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{
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{
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"structure_string": "Li2 Pr1 As2\n1.0\n2.145038 -3.715315 0.000000\n2.145038 3.715315 -0.000000\n-0.000000 -0.000000 7.037098\nLi Pr As\n2 1 2\ndirect\n0.666668 0.333333 0.622587 Li\n0.333333 0.666668 0.377413 Li\n0.000000 0.000000 0.000000 Pr\n0.666668 0.333333 0.247999 As\n0.333333 0.666668 0.752001 As\n",
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{
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"created_at": "2022-09-04T14:38:42.474699Z",
"updated_at": "2022-09-04T14:38:42.474718Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n8.667234 -0.008838 3.994169\n8.203562 2.796888 3.994169\n0.031573 0.005218 9.481292\nLi Mn Co O\n8 2 4 14\ndirect\n0.360226 0.360227 0.074462 Li\n0.057929 0.057929 0.229553 Li\n0.798990 0.798992 0.353963 Li\n0.495625 0.495627 0.494578 Li\n0.216098 0.216099 0.640309 Li\n0.928105 0.928108 0.779252 Li\n0.642642 0.642645 0.923614 Li\n0.428561 0.428562 0.295009 Li\n0.997111 0.997112 0.006748 Mn\n0.713926 0.713927 0.142833 Mn\n0.572519 0.572520 0.712468 Co\n0.284639 0.284641 0.857398 Co\n0.143570 0.143571 0.428087 Co\n0.857991 0.857993 0.568053 Co\n0.813530 0.813532 0.963210 O\n0.472013 0.472015 0.891128 O\n0.183104 0.183104 0.040859 O\n0.900019 0.900020 0.160741 O\n0.614964 0.614965 0.321646 O\n0.323731 0.323732 0.477964 O\n0.045413 0.045414 0.608744 O\n0.756525 0.756527 0.755739 O\n0.244619 0.244619 0.245436 O\n0.958572 0.958573 0.407176 O\n0.670801 0.670802 0.531374 O\n0.383440 0.383441 0.680884 O\n0.101482 0.101483 0.816204 O\n0.533831 0.533832 0.092573 O\n",
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{
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"updated_at": "2022-09-04T14:37:28.871022Z",
"structure_string": "V6 O10 F2\n1.0\n4.612967 0.031284 0.007120\n0.146870 5.469472 0.031159\n0.110403 0.747304 7.355150\nV O F\n6 10 2\ndirect\n0.521823 0.674130 0.841872 V\n0.478178 0.325868 0.158128 V\n0.500000 -0.000001 0.500000 V\n0.977115 0.138748 0.831904 V\n-0.000000 0.499999 0.500000 V\n0.022885 0.861250 0.168097 V\n0.201878 0.137663 0.064500 O\n0.195708 0.801963 0.397060 O\n0.297852 0.636077 0.067410 O\n0.299807 0.303880 0.399259 O\n0.298145 0.960642 0.734707 O\n0.701855 0.039356 0.265293 O\n0.702148 0.363921 0.932591 O\n0.798122 0.862335 0.935500 O\n0.804292 0.198035 0.602940 O\n0.700193 0.696118 0.600741 O\n0.796489 0.538026 0.263031 F\n0.203511 0.461972 0.736969 F\n",
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{
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"structure_string": "Ba6 Cr4 S12\n1.0\n8.053416 -0.025420 -0.657737\n-0.711580 8.021958 -0.657737\n-0.023339 -0.025420 8.080196\nBa Cr S\n6 4 12\ndirect\n0.363519 0.750000 0.136481 Ba\n0.750000 0.136481 0.363519 Ba\n0.636481 0.250000 0.863519 Ba\n0.863519 0.636481 0.250000 Ba\n0.250000 0.863519 0.636481 Ba\n0.136481 0.363519 0.750000 Ba\n0.250000 0.250000 0.250000 Cr\n0.750000 0.750000 0.750000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.516848 0.409327 0.207399 S\n0.909327 0.016847 0.707399 S\n0.292601 0.090673 0.983153 S\n0.983153 0.292601 0.090673 S\n0.090673 0.983153 0.292601 S\n0.590674 0.792601 0.483152 S\n0.483153 0.590674 0.792601 S\n0.792601 0.483153 0.590673 S\n0.707399 0.909327 0.016847 S\n0.016847 0.707399 0.909327 S\n0.207399 0.516848 0.409326 S\n0.409327 0.207399 0.516847 S\n",
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{
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"created_at": "2022-09-04T14:37:09.282174Z",
"updated_at": "2022-09-04T14:37:09.282200Z",
"structure_string": "Ba1 Fe4 O8\n1.0\n2.713160 -4.699332 -0.000000\n2.713160 4.699332 0.000000\n-0.000000 -0.000000 7.055817\nBa Fe O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.256821 Fe\n0.666667 0.333333 0.256821 Fe\n0.333333 0.666667 0.743179 Fe\n0.666667 0.333333 0.743179 Fe\n0.643588 0.643588 0.304854 O\n0.000000 0.356412 0.304854 O\n0.356412 0.000000 0.304854 O\n0.356412 0.356412 0.695146 O\n0.643588 0.000000 0.695146 O\n0.000000 0.643588 0.695146 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:04.700344Z",
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"structure_string": "Fe4 O3 F5\n1.0\n4.794387 -0.237747 0.000000\n-0.237747 4.794387 0.000000\n0.000000 0.000000 5.882464\nFe O F\n4 3 5\ndirect\n0.989701 0.989701 0.000000 Fe\n0.027556 0.027556 0.500000 Fe\n0.490972 0.490972 0.232450 Fe\n0.490972 0.490972 0.767549 Fe\n0.287813 0.287813 0.000000 O\n0.321184 0.321184 0.500000 O\n0.695382 0.695382 0.000000 O\n0.198111 0.797573 0.251569 F\n0.198111 0.797573 0.748430 F\n0.705046 0.705046 0.500000 F\n0.797573 0.198111 0.748430 F\n0.797573 0.198111 0.251569 F\n",
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{
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"structure_string": "V6 O10 F2\n1.0\n5.455311 0.013287 -0.015018\n1.547824 5.229670 -0.010846\n2.329523 1.737434 6.494959\nV O F\n6 10 2\ndirect\n0.642623 0.664235 0.852292 V\n0.369964 0.311649 0.671594 V\n0.640918 0.652767 0.335341 V\n0.331567 0.329322 0.163840 V\n0.010151 0.033188 0.495745 V\n-0.000948 0.009801 0.981959 V\n0.701545 0.301444 0.999241 O\n0.959023 0.370171 0.330356 O\n0.651477 0.022606 0.667126 O\n0.294698 0.704049 0.000679 O\n0.428364 0.426461 0.368888 O\n0.569211 0.566950 0.634342 O\n0.104967 0.106832 0.694940 O\n0.235894 0.233460 0.963190 O\n0.361588 0.960729 0.333472 O\n0.764538 0.770539 0.039074 O\n0.037678 0.636065 0.666212 F\n0.896732 0.899731 0.301701 F\n",
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{
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"structure_string": "Ba4 B4 O4 F12\n1.0\n5.129517 0.000000 0.000000\n-0.000000 6.863060 0.000000\n0.000000 0.000000 9.249666\nBa B O F\n4 4 4 12\ndirect\n0.250000 0.327916 0.691186 Ba\n0.750000 0.672084 0.308815 Ba\n0.750000 0.827916 0.808815 Ba\n0.250000 0.172084 0.191185 Ba\n0.250000 0.824723 0.578255 B\n0.750000 0.175277 0.421745 B\n0.750000 0.324723 0.921745 B\n0.250000 0.675277 0.078255 B\n0.250000 0.936313 0.697785 O\n0.250000 0.563687 0.197784 O\n0.750000 0.436313 0.802216 O\n0.750000 0.063687 0.302216 O\n0.975293 0.316278 0.429961 F\n0.250000 0.585675 0.935561 F\n0.750000 0.414325 0.064440 F\n0.750000 0.085675 0.564440 F\n0.250000 0.914325 0.435561 F\n0.524708 0.316278 0.429961 F\n0.975293 0.183722 0.929962 F\n0.475293 0.816278 0.070039 F\n0.024708 0.683722 0.570039 F\n0.024708 0.816278 0.070039 F\n0.524708 0.183722 0.929962 F\n0.475293 0.683722 0.570039 F\n",
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"created_at": "2022-09-04T14:38:48.247223Z",
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"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.975006 0.032865 2.100461\n5.284092 2.789291 2.100461\n0.158924 0.039835 14.012254\nLi Mn Co O\n8 2 4 14\ndirect\n0.500001 0.499999 -0.000000 Li\n0.064169 0.064169 0.153728 Li\n0.635341 0.635339 0.299254 Li\n0.935831 0.935830 0.846271 Li\n0.364660 0.364661 0.700746 Li\n0.200481 0.200482 0.436284 Li\n0.799519 0.799517 0.563716 Li\n0.500000 0.500000 0.500000 Li\n0.213619 0.213622 0.928666 Mn\n0.786381 0.786378 0.071333 Mn\n0.071604 0.071606 0.639376 Co\n0.644773 0.644773 0.784857 Co\n0.355228 0.355227 0.215143 Co\n0.928396 0.928393 0.360624 Co\n0.062991 0.062992 0.389514 O\n0.650410 0.650407 0.030136 O\n0.223125 0.223125 0.168266 O\n0.798316 0.798313 0.309427 O\n0.082027 0.082030 0.887377 O\n0.514613 0.514613 0.742463 O\n0.361306 0.361306 0.450248 O\n0.937010 0.937008 0.610486 O\n0.349591 0.349593 0.969863 O\n0.917974 0.917970 0.112622 O\n0.485387 0.485386 0.257537 O\n0.776875 0.776875 0.831733 O\n0.201684 0.201686 0.690573 O\n0.638694 0.638693 0.549752 O\n",
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}