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{
"id": "jvasp-71941",
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{
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"structure_string": "Si4 H4 O10\n1.0\n-2.966908 7.440828 2.497535\n2.966908 -7.440828 2.497535\n3.035813 7.472229 -2.497535\nSi H O\n4 4 10\ndirect\n0.573208 0.073589 0.690707 Si\n0.382882 0.882501 0.309292 Si\n0.858083 0.055885 0.007649 Si\n0.048236 0.850433 -0.007649 Si\n0.426302 0.550768 0.441571 H\n0.109196 -0.015272 0.558428 H\n0.754422 0.889108 0.678151 H\n0.210957 0.076271 0.321849 H\n0.246082 0.017088 0.435192 O\n0.581897 0.810890 0.564808 O\n0.853334 0.460931 0.887966 O\n0.572967 0.965368 0.112034 O\n0.589570 0.089569 0.500000 O\n0.285057 0.955168 0.815516 O\n0.845852 0.845852 0.000000 O\n0.872808 0.936763 0.738557 O\n0.139652 0.469541 0.184484 O\n0.198205 0.134249 0.261442 O\n",
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{
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"structure_string": "Ba1 La1 Ti1 Cu1 O6\n1.0\n4.850076 -0.000000 2.800193\n1.616692 4.572695 2.800193\n-0.000000 -0.000000 5.600385\nBa La Ti Cu O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500001 0.500000 La\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750001 0.750000 Cu\n0.003178 0.496822 0.496822 O\n0.496822 0.003179 0.003178 O\n0.003178 0.496822 0.003178 O\n0.496822 0.003179 0.496821 O\n0.496822 0.496822 0.003178 O\n0.003179 0.003179 0.496822 O\n",
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"structure_string": "Na6 V2 B2 As2 O14\n1.0\n0.000000 5.313745 0.001381\n6.678767 0.000000 0.000000\n0.000000 -0.217945 -9.098978\nNa V B As O\n6 2 2 2 14\ndirect\n0.235894 0.750000 0.074778 Na\n0.753662 0.000406 0.243287 Na\n0.753662 0.499594 0.243287 Na\n0.246338 0.500406 0.756713 Na\n0.246338 0.999594 0.756713 Na\n0.764105 0.250000 0.925222 Na\n0.219153 0.250000 0.326354 V\n0.780847 0.750000 0.673646 V\n0.723144 0.750000 0.938855 B\n0.276856 0.250000 0.061146 B\n0.287560 0.750000 0.423684 As\n0.712440 0.250000 0.576316 As\n0.529939 0.750000 0.828068 O\n0.794773 0.051324 0.689693 O\n0.794773 0.448676 0.689693 O\n0.391600 0.250000 0.537633 O\n0.128512 0.750000 0.585505 O\n0.871488 0.250000 0.414495 O\n0.678829 0.750000 0.083553 O\n0.205227 0.551324 0.310307 O\n0.205227 0.948676 0.310307 O\n0.470061 0.250000 0.171933 O\n0.039457 0.250000 0.124459 O\n0.960543 0.750000 0.875542 O\n0.608400 0.750000 0.462368 O\n0.321171 0.250000 0.916447 O\n",
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{
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"updated_at": "2022-09-04T14:36:44.168156Z",
"structure_string": "Cr2 O4\n1.0\n1.426535 -2.470830 -0.000000\n1.426535 2.470830 0.000000\n-0.000000 -0.000000 10.570026\nCr O\n2 4\ndirect\n0.333331 0.666665 0.750000 Cr\n0.666665 0.333331 0.250000 Cr\n0.666665 0.333331 0.405952 O\n0.333331 0.666665 0.905952 O\n0.666665 0.333331 0.094049 O\n0.333331 0.666665 0.594049 O\n",
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{
"id": "jvasp-14411",
"created_at": "2022-09-04T14:38:09.403606Z",
"updated_at": "2022-09-04T14:38:09.403622Z",
"structure_string": "S3 F18\n1.0\n4.051471 -7.017354 -0.000000\n4.051471 7.017354 0.000000\n-0.000000 -0.000000 4.586413\nS F\n3 18\ndirect\n0.666667 0.333333 0.442888 S\n0.333333 0.666667 0.557111 S\n0.000000 0.000000 0.000000 S\n0.759411 0.240588 0.643600 F\n0.573928 0.426072 0.242139 F\n0.573928 0.147855 0.242139 F\n0.852145 0.426072 0.242139 F\n0.147855 0.573928 0.757861 F\n0.426072 0.852145 0.757861 F\n0.426072 0.573928 0.757861 F\n0.907291 0.092709 0.200471 F\n0.907291 0.814583 0.200471 F\n0.185416 0.092709 0.200471 F\n0.814583 0.907291 0.799528 F\n0.092709 0.185416 0.799528 F\n0.092709 0.907291 0.799528 F\n0.518823 0.759411 0.356399 F\n0.240588 0.481177 0.356399 F\n0.240588 0.759411 0.356399 F\n0.759411 0.518823 0.643600 F\n0.481177 0.240588 0.643600 F\n",
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{
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"structure_string": "Ti4 N2\n1.0\n4.953084 -0.000000 0.000000\n0.000000 4.953084 0.000000\n0.000000 0.000000 3.037127\nTi N\n4 2\ndirect\n0.203285 0.796714 0.500000 Ti\n0.703284 0.703284 0.000000 Ti\n0.796714 0.203285 0.500000 Ti\n0.296715 0.296715 0.000000 Ti\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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{
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"updated_at": "2022-09-04T14:38:54.044802Z",
"structure_string": "Ta2 Ti2 Fe8\n1.0\n4.707670 0.000654 0.000067\n-2.354211 4.076745 -0.000067\n-0.000115 0.000066 7.764051\nTa Ti Fe\n2 2 8\ndirect\n0.666673 0.333340 0.571093 Ta\n0.333341 0.666673 0.428907 Ta\n0.333328 0.666663 0.060201 Ti\n0.666663 0.333328 0.939799 Ti\n0.000004 0.000004 0.500000 Fe\n-0.000002 -0.000002 -0.000000 Fe\n0.170872 0.341744 0.751596 Fe\n0.170884 0.829123 0.751599 Fe\n0.658262 0.829134 0.751597 Fe\n0.829133 0.658261 0.248403 Fe\n0.829121 0.170882 0.248401 Fe\n0.341744 0.170871 0.248404 Fe\n",
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{
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"created_at": "2022-09-04T14:35:58.010386Z",
"updated_at": "2022-09-04T14:35:58.010411Z",
"structure_string": "K8 Li12 Fe4 O16\n1.0\n5.485862 0.000000 -0.828053\n0.000000 8.740557 0.000000\n-0.002628 0.000000 10.359542\nK Li Fe O\n8 12 4 16\ndirect\n0.843213 0.992764 0.138484 K\n0.156786 0.007237 0.861516 K\n0.343213 0.507237 0.638484 K\n0.611867 0.773903 0.891995 K\n0.888132 0.273903 0.608005 K\n0.388132 0.226097 0.108005 K\n0.111868 0.726097 0.391995 K\n0.656786 0.492763 0.361516 K\n0.421343 0.261969 0.800211 Li\n0.801415 0.006205 0.429488 Li\n0.921343 0.238031 0.300211 Li\n0.605887 0.032143 0.702480 Li\n0.894112 0.532144 0.797520 Li\n0.394112 0.967857 0.297520 Li\n0.105888 0.467857 0.202480 Li\n0.301415 0.493795 0.929488 Li\n0.198584 0.993795 0.570512 Li\n0.698584 0.506206 0.070512 Li\n0.578656 0.738031 0.199789 Li\n0.078656 0.761969 0.699789 Li\n0.662667 0.786818 0.562923 Fe\n0.837332 0.286818 0.937077 Fe\n0.337332 0.213182 0.437077 Fe\n0.162667 0.713183 0.062923 Fe\n0.163647 0.395469 0.384557 O\n0.113848 0.324764 0.854785 O\n0.386151 0.824764 0.645215 O\n0.886151 0.675237 0.145215 O\n0.613848 0.175236 0.354785 O\n0.386661 0.189702 0.621505 O\n0.113338 0.689702 0.878494 O\n0.613338 0.810299 0.378495 O\n0.663647 0.104531 0.884557 O\n0.836352 0.604531 0.615443 O\n0.619448 0.451443 0.877511 O\n0.880551 0.951444 0.622489 O\n0.380551 0.548557 0.122489 O\n0.119449 0.048557 0.377511 O\n0.336352 0.895469 0.115443 O\n0.886661 0.310299 0.121506 O\n",
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{
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]
}