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{
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{
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{
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"structure_string": "Ni1 H2 O2\n1.0\n3.151253 0.000685 -0.014173\n-1.575858 2.728456 0.000002\n0.018198 0.010540 4.436177\nNi H O\n1 2 2\ndirect\n-0.000003 0.936616 0.000002 Ni\n0.666643 0.269932 0.554576 H\n0.333357 0.603283 0.445424 H\n0.666533 0.269878 0.774897 O\n0.333471 0.603346 0.225103 O\n",
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{
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"structure_string": "Li8 O4\n1.0\n3.099690 -0.000000 0.000000\n0.000000 5.067486 0.000000\n0.000000 0.000000 5.836522\nLi O\n8 4\ndirect\n0.750000 0.990246 0.157829 Li\n0.750000 0.859524 0.580417 Li\n0.250000 0.640478 0.080418 Li\n0.250000 0.509755 0.657829 Li\n0.750000 0.490246 0.342171 Li\n0.750000 0.359523 0.919582 Li\n0.250000 0.140477 0.419582 Li\n0.250000 0.009754 0.842171 Li\n0.250000 0.753333 0.401017 O\n0.750000 0.746668 0.901017 O\n0.250000 0.253332 0.098983 O\n0.750000 0.246668 0.598983 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:44.508902Z",
"structure_string": "Ti1 B12\n1.0\n4.503351 -0.000000 2.600010\n1.501117 4.245800 2.600010\n-0.000000 -0.000000 5.200021\nTi B\n1 12\ndirect\n0.000000 0.000000 0.000000 Ti\n0.840004 0.500000 0.500000 B\n0.500000 0.500000 0.840004 B\n0.840004 0.159996 0.500000 B\n0.500000 0.840004 0.159995 B\n0.500000 0.159996 0.840004 B\n0.500000 0.840004 0.500000 B\n0.840004 0.500000 0.159996 B\n0.159996 0.840004 0.500000 B\n0.500000 0.159996 0.500000 B\n0.159996 0.500000 0.840004 B\n0.500000 0.500000 0.159996 B\n0.159996 0.500000 0.500000 B\n",
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{
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"updated_at": "2022-09-04T14:37:03.211696Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.884237 0.060889 0.996410\n0.969921 4.201700 0.264656\n-0.139488 0.102302 17.366804\nCd H C O\n1 20 12 4\ndirect\n0.469476 0.970536 0.858316 Cd\n0.188781 0.709663 0.515973 H\n0.240256 0.182165 0.589964 H\n0.413082 0.798928 0.016820 H\n0.058032 0.362450 0.146819 H\n0.607237 0.387594 0.189443 H\n0.143707 0.281989 0.294651 H\n0.683728 0.334240 0.330318 H\n0.203993 0.225953 0.441197 H\n0.741443 0.289766 0.473975 H\n0.535586 0.406659 0.055069 H\n0.774387 0.259475 0.618932 H\n0.894891 0.915802 0.087380 H\n0.452078 0.943496 0.136231 H\n0.039721 0.825688 0.229088 H\n0.581588 0.875860 0.265910 H\n0.125400 0.761158 0.371461 H\n0.663665 0.823874 0.404974 H\n0.238514 0.656623 0.663910 H\n0.768580 0.768704 0.686374 H\n0.724753 0.784903 0.546272 H\n0.941295 0.549130 0.966933 C\n0.625012 0.625619 0.036766 C\n0.698453 0.772689 0.108175 C\n0.805144 0.531679 0.171686 C\n0.830239 0.693616 0.245223 C\n0.894723 0.464961 0.314073 C\n-0.002448 0.375498 0.603608 C\n0.957797 0.414481 0.458220 C\n0.967234 0.591072 0.530940 C\n-0.001151 0.564376 0.675646 C\n-0.008365 0.357326 0.749524 C\n0.909760 0.635662 0.387214 C\n0.172477 0.290435 0.967084 O\n0.721350 0.423975 0.808547 O\n0.250867 0.116633 0.748837 O\n0.963704 0.760895 0.910555 O\n",
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}