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{
"id": "jvasp-63423",
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{
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{
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"created_at": "2022-09-04T14:37:34.297274Z",
"updated_at": "2022-09-04T14:37:34.297306Z",
"structure_string": "K2 B12 H12\n1.0\n6.407801 -0.000000 3.699546\n2.135934 6.041333 3.699546\n-0.000000 -0.000000 7.399091\nK B H\n2 12 12\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750001 K\n0.222298 0.777701 0.946594 B\n0.053406 0.777701 0.222299 B\n0.222298 0.946593 0.053408 B\n0.053407 0.222298 0.946593 B\n0.946593 0.053407 0.222299 B\n0.777701 0.222298 0.053407 B\n0.946593 0.777701 0.053408 B\n0.777701 0.946593 0.222300 B\n0.053406 0.946593 0.777702 B\n0.222299 0.053407 0.777702 B\n0.946593 0.222298 0.777702 B\n0.777701 0.053407 0.946594 B\n0.095057 0.620404 0.379597 H\n0.379596 0.904942 0.095058 H\n0.095057 0.379596 0.904943 H\n0.904943 0.095057 0.379597 H\n0.620404 0.379596 0.095058 H\n0.904943 0.620404 0.095058 H\n0.620404 0.904942 0.379597 H\n0.095057 0.904942 0.620405 H\n0.379596 0.095057 0.620404 H\n0.620404 0.095057 0.904943 H\n0.379596 0.620404 0.904944 H\n0.904943 0.379596 0.620405 H\n",
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{
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{
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"structure_string": "Zn4 P2 H2 O10\n1.0\n5.553683 0.029463 0.041485\n0.294231 5.733682 0.009684\n1.445450 1.324817 6.241800\nZn P H O\n4 2 2 10\ndirect\n0.385315 0.248683 0.508577 Zn\n0.614685 0.751317 0.491421 Zn\n0.026099 0.737373 0.811892 Zn\n0.973901 0.262627 0.188107 Zn\n0.832397 0.249955 0.726518 P\n0.167603 0.750045 0.273480 P\n0.434678 0.905993 0.825347 H\n0.565322 0.094007 0.174652 H\n0.027849 0.248097 0.513298 O\n0.972151 0.751903 0.486701 O\n0.405543 0.619715 0.329196 O\n0.594457 0.380285 0.670802 O\n0.771083 0.992762 0.851996 O\n0.939655 0.387698 0.865980 O\n0.228917 0.007238 0.148003 O\n0.360311 0.889121 0.705893 O\n0.060345 0.612302 0.134019 O\n0.639689 0.110879 0.294105 O\n",
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{
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"created_at": "2022-09-04T14:38:09.491868Z",
"updated_at": "2022-09-04T14:38:09.491891Z",
"structure_string": "H8 Br2 N2\n1.0\n5.703863 0.000000 0.000000\n0.000000 5.703863 0.000000\n0.000000 -0.000000 4.063732\nH Br N\n8 2 2\ndirect\n0.850113 0.000000 0.851906 H\n0.149886 0.000000 0.851906 H\n0.500000 0.350113 0.851906 H\n0.500000 0.649886 0.851906 H\n0.000000 0.149886 0.148093 H\n0.649886 0.500000 0.148093 H\n0.350113 0.500000 0.148093 H\n0.000000 0.850113 0.148093 H\n0.500000 0.000000 0.534375 Br\n0.000000 0.500000 0.465624 Br\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n",
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{
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"structure_string": "K1 Na1 B2 H8\n1.0\n2.338664 -4.050685 -0.000000\n2.338664 4.050685 0.000000\n0.000000 0.000000 6.978178\nK Na B H\n1 1 2 8\ndirect\n0.000000 0.000000 0.844938 K\n0.333332 0.666666 0.301223 Na\n0.333332 0.666666 0.666466 B\n0.666666 0.333332 0.145256 B\n0.333332 0.666666 0.843076 H\n0.666666 0.333332 0.970185 H\n0.809910 0.190088 0.205934 H\n0.476847 0.523151 0.609032 H\n0.809910 0.619821 0.205934 H\n0.380178 0.190088 0.205934 H\n0.046304 0.523152 0.609032 H\n0.476847 0.953694 0.609032 H\n",
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"structure_string": "Ti6 O10\n1.0\n3.861050 0.000000 0.000000\n-1.930525 4.891258 -0.113411\n0.000000 0.032681 9.333716\nTi O\n6 10\ndirect\n0.943485 0.886968 0.640003 Ti\n0.056517 0.113033 0.359997 Ti\n0.868554 0.737105 0.955241 Ti\n0.131448 0.262895 0.044759 Ti\n0.220782 0.441562 0.737056 Ti\n0.779219 0.558438 0.262945 Ti\n0.587478 0.174956 0.340543 O\n0.412523 0.825044 0.659458 O\n0.673385 0.346770 0.054660 O\n0.326616 0.653230 0.945340 O\n0.871344 0.742684 0.442586 O\n0.128658 0.257316 0.557415 O\n0.242476 0.484952 0.243561 O\n0.757526 0.515049 0.756439 O\n0.042575 0.085150 0.847086 O\n0.957427 0.914850 0.152915 O\n",
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{
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"structure_string": "Al3 Cr3 Sb2 O16\n1.0\n5.734118 0.013401 0.008665\n2.843046 4.979784 0.009786\n0.081421 0.044729 9.273125\nAl Cr Sb O\n3 3 2 16\ndirect\n0.165018 0.164961 0.795278 Al\n0.337291 0.832857 0.295935 Al\n0.832758 0.337424 0.295939 Al\n0.166615 0.657498 0.783972 Cr\n0.657570 0.166502 0.783849 Cr\n0.832444 0.832626 0.273487 Cr\n0.330462 0.330630 0.504822 Sb\n0.658153 0.658046 0.012385 Sb\n0.326932 0.834336 0.895960 O\n0.677067 0.677223 0.389628 O\n0.966073 0.526377 0.160678 O\n0.526322 0.966109 0.160652 O\n0.163258 0.163390 0.395447 O\n0.830661 0.830549 0.891432 O\n0.477373 0.042191 0.666334 O\n-0.001671 -0.001750 0.697604 O\n0.671054 0.167682 0.396761 O\n0.001079 0.001175 0.197885 O\n0.522180 0.522264 0.171698 O\n0.333210 0.333016 0.894329 O\n0.481798 0.481724 0.661040 O\n0.167512 0.671228 0.396792 O\n0.042226 0.477322 0.666397 O\n0.834426 0.326812 0.895980 O\n",
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{
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{
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}