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{
"id": "jvasp-101159",
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"structure_string": "Mg1 Ta2 N3\n1.0\n3.966957 0.008311 -3.656624\n-0.380451 2.933561 -4.511895\n-0.007353 -0.008311 5.395145\nMg Ta N\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.667773 0.667772 0.000001 Ta\n0.332228 0.332227 0.000001 Ta\n0.500001 0.000000 0.500001 N\n0.159970 0.659969 0.500002 N\n0.840032 0.340031 0.500002 N\n",
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{
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"updated_at": "2022-09-04T14:38:49.088088Z",
"structure_string": "Li4 Cr3 Co1 P4 O16\n1.0\n6.150023 -0.000000 0.000000\n0.000000 4.716065 0.035811\n-0.000000 0.004678 10.066731\nLi Cr Co P O\n4 3 1 4 16\ndirect\n0.255755 0.991452 0.004039 Li\n0.744245 0.991452 0.004039 Li\n0.741248 0.501505 0.493146 Li\n0.258751 0.501505 0.493146 Li\n0.500000 0.538429 0.782914 Cr\n-0.000000 0.457464 0.218891 Cr\n-0.000000 0.048601 0.717089 Cr\n0.500000 0.967629 0.278447 Co\n0.500000 0.084740 0.595559 P\n0.500000 0.418753 0.092437 P\n-0.000000 0.580165 0.906095 P\n-0.000000 0.916444 0.405783 P\n0.700615 0.219175 0.668089 O\n-0.000000 0.244687 0.398665 O\n-0.000000 0.253251 0.899687 O\n0.297133 0.283311 0.161957 O\n0.702866 0.283311 0.161957 O\n0.500000 0.294947 0.947836 O\n-0.000000 0.693534 0.051435 O\n0.201958 0.778323 0.338639 O\n0.201993 0.717735 0.837150 O\n0.500000 0.743892 0.090290 O\n0.500000 0.757213 0.602460 O\n0.798042 0.778323 0.338639 O\n0.299385 0.219175 0.668089 O\n-0.000000 0.809365 0.553359 O\n0.798006 0.717735 0.837150 O\n0.500000 0.207896 0.453004 O\n",
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{
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"created_at": "2022-09-04T14:37:04.700731Z",
"updated_at": "2022-09-04T14:37:04.700750Z",
"structure_string": "Fe4 O8\n1.0\n4.862160 0.001749 2.805709\n1.622388 4.583479 -2.805740\n-4.863426 -0.000000 2.807899\nFe O\n4 8\ndirect\n0.500000 0.500001 0.000001 Fe\n0.000001 0.000000 0.500000 Fe\n0.000002 0.500001 0.000001 Fe\n-0.000000 0.500001 0.500001 Fe\n0.762757 0.737244 0.025778 O\n0.211465 0.736978 0.474222 O\n0.237244 0.262756 0.974222 O\n0.236979 0.711465 0.974222 O\n0.788535 0.263023 0.525779 O\n0.237244 0.262756 0.525778 O\n0.763024 0.288534 0.025779 O\n0.762758 0.737244 0.474224 O\n",
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{
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"created_at": "2022-09-04T14:36:50.739959Z",
"updated_at": "2022-09-04T14:36:50.739989Z",
"structure_string": "Li2 Zr2 O4\n1.0\n-2.165205 2.165205 4.448692\n2.165205 -2.165205 4.448692\n2.165205 2.165205 -4.448692\nLi Zr O\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.250000 0.749999 0.499999 Li\n0.000000 0.000000 0.000000 Zr\n0.749999 0.250000 0.499999 Zr\n0.256124 0.256124 0.000000 O\n0.743875 0.743875 0.000000 O\n0.493876 0.993875 0.499999 O\n0.006124 0.506123 0.499999 O\n",
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{
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"created_at": "2022-09-04T14:36:53.181697Z",
"updated_at": "2022-09-04T14:36:53.181716Z",
"structure_string": "H4 C6 S1 O2\n1.0\n3.970047 -0.027059 -0.328468\n-1.849200 5.152623 -1.237283\n-0.114533 0.067043 6.635101\nH C S O\n4 6 1 2\ndirect\n0.957012 0.295104 0.849099 H\n0.964288 0.123953 0.210554 H\n0.299953 0.140052 0.580498 H\n0.658803 0.389847 0.004111 H\n0.165985 0.295884 0.315090 C\n0.350256 0.305538 0.512024 C\n0.605556 0.546469 0.610532 C\n0.286434 0.535140 0.268125 C\n0.902956 0.463539 0.938203 C\n0.864916 0.646530 0.801661 C\n0.618948 0.769049 0.460857 S\n0.203114 0.620639 0.102102 O\n0.063610 0.878692 0.853595 O\n",
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{
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"created_at": "2022-09-04T14:37:06.300231Z",
"updated_at": "2022-09-04T14:37:06.300259Z",
"structure_string": "Mg2 Ti2 Si4 O12\n1.0\n4.822602 -0.148801 0.834201\n0.949118 6.494256 0.618247\n-0.281122 0.077714 6.585845\nMg Ti Si O\n2 2 4 12\ndirect\n0.750000 0.275612 0.724388 Mg\n0.250001 0.724388 0.275614 Mg\n0.249999 0.069927 0.930074 Ti\n0.749999 0.930075 0.069927 Ti\n0.287894 0.209979 0.402044 Si\n0.212105 0.597956 0.790022 Si\n0.787894 0.402044 0.209979 Si\n0.712106 0.790021 0.597957 Si\n0.648066 0.966588 0.760664 O\n0.851934 0.239336 0.033412 O\n0.631347 0.623672 0.146847 O\n0.868652 0.853155 0.376329 O\n0.368653 0.376327 0.853154 O\n-0.092718 0.582829 0.700665 O\n0.092718 0.417171 0.299336 O\n0.407283 0.700664 0.582831 O\n0.351933 0.033412 0.239337 O\n0.592718 0.299337 0.417170 O\n0.131348 0.146845 0.623672 O\n0.148067 0.760664 0.966589 O\n",
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"structure_string": "Li2 Cu1 F4\n1.0\n5.010725 0.016819 0.000000\n1.618854 4.742041 0.000000\n0.000000 0.000000 3.075883\nLi Cu F\n2 1 4\ndirect\n-0.000000 0.500000 0.500000 Li\n0.499999 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.239841 0.239842 0.000000 F\n0.234046 0.765954 0.500000 F\n0.765953 0.234046 0.500000 F\n0.760157 0.760158 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:38:07.197767Z",
"updated_at": "2022-09-04T14:38:07.197791Z",
"structure_string": "Ti1 Mn1 H12 O6 F6\n1.0\n-4.887412 2.821750 3.276923\n-0.000000 -5.643497 3.276923\n4.887413 2.821748 3.276923\nTi Mn H O F\n1 1 12 6 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Mn\n0.217369 0.780050 0.723768 H\n0.723768 0.217368 0.780051 H\n0.975820 0.708834 0.647431 H\n0.647431 0.975821 0.708834 H\n0.352568 0.024177 0.291165 H\n0.219948 0.276229 0.782632 H\n0.276230 0.782632 0.219948 H\n0.780050 0.723770 0.217367 H\n0.782629 0.219949 0.276230 H\n0.291165 0.352567 0.024178 H\n0.708832 0.647431 0.975822 H\n0.024178 0.291165 0.352567 H\n0.233883 0.229076 0.921135 O\n0.078864 0.766118 0.770924 O\n0.770924 0.078863 0.766119 O\n0.229075 0.921137 0.233881 O\n0.766118 0.770924 0.078863 O\n0.921136 0.233882 0.229076 O\n0.450495 0.766470 0.621802 F\n0.378197 0.549504 0.233529 F\n0.549504 0.233530 0.378196 F\n0.766470 0.621802 0.450494 F\n0.233529 0.378196 0.549504 F\n0.621802 0.450495 0.766470 F\n",
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{
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{
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"structure_string": "Co5 Sn1 O12\n1.0\n2.499401 4.341570 0.481802\n-2.527688 4.345391 0.240900\n0.419411 0.728533 8.678476\nCo Sn O\n5 1 12\ndirect\n0.166567 0.666863 0.500000 Co\n0.666668 0.666663 -0.000000 Co\n0.333331 0.333337 -0.000000 Co\n0.833431 0.333138 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Sn\n0.038144 0.363707 0.884890 O\n0.325580 0.000000 0.115100 O\n0.598147 0.363708 0.115111 O\n0.799337 0.667042 0.602563 O\n0.131147 -0.000000 0.605929 O\n0.200661 0.332958 0.397437 O\n0.533618 0.667042 0.397437 O\n0.674419 -0.000000 0.884900 O\n0.401851 0.636293 0.884890 O\n0.961855 0.636293 0.115111 O\n0.466380 0.332958 0.602563 O\n0.868852 0.000000 0.394071 O\n",
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{
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"structure_string": "Li2 Fe2 P2 O8\n1.0\n-2.833116 4.628459 0.000000\n2.833116 0.000000 5.567487\n2.833116 4.628459 0.000000\nLi Fe P O\n2 2 2 8\ndirect\n0.436844 0.250000 0.436844 Li\n0.186844 0.750000 0.186844 Li\n0.808166 0.250000 0.808166 Fe\n0.558166 0.750000 0.558166 Fe\n0.129527 0.250000 0.129527 P\n0.879527 0.750000 0.879528 P\n0.798754 0.090685 0.245573 O\n0.322270 0.103926 0.133866 O\n0.737793 0.603926 0.218344 O\n0.836259 0.590686 0.708070 O\n0.133866 0.396074 0.322270 O\n0.245573 0.409315 0.798755 O\n0.708069 0.909315 0.836259 O\n0.218343 0.896074 0.737794 O\n",
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]
}