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{
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"updated_at": "2022-09-04T14:38:44.222231Z",
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{
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"updated_at": "2022-09-04T14:38:44.220200Z",
"structure_string": "Li5 Fe5 Cu2 O12\n1.0\n5.032818 -0.047152 0.331781\n-2.336519 4.457820 0.331781\n0.097385 0.159304 9.504516\nLi Fe Cu O\n5 5 2 12\ndirect\n0.834741 0.666468 0.258446 Li\n0.682140 0.858181 0.739216 Li\n0.333531 0.165259 0.741554 Li\n0.141818 0.317859 0.260785 Li\n0.081109 0.918889 0.500000 Li\n0.922410 0.077590 -0.000000 Fe\n-0.008004 0.515812 0.741220 Fe\n0.484187 0.008003 0.258780 Fe\n0.583217 0.416783 -0.000000 Fe\n0.419467 0.580531 0.500000 Fe\n0.252467 0.747533 -0.000000 Cu\n0.750661 0.249339 0.500000 Cu\n0.203615 0.043458 0.123953 O\n0.075013 0.249071 0.612336 O\n0.750928 0.924986 0.387665 O\n0.845176 0.326719 0.129686 O\n0.673281 0.154824 0.870314 O\n0.697952 0.539509 0.622844 O\n0.460490 0.302047 0.377156 O\n0.581097 0.744269 0.111049 O\n0.255730 0.418902 0.888951 O\n0.352095 0.829672 0.629529 O\n0.170327 0.647903 0.370471 O\n0.956541 0.796384 0.876048 O\n",
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{
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"structure_string": "H24 C22 O6\n1.0\n6.077393 0.051228 0.866775\n3.009994 8.090414 0.599534\n-0.126685 0.010468 9.149858\nH C O\n24 22 6\ndirect\n0.156196 0.903451 0.930080 H\n0.551752 0.702168 0.123972 H\n0.448248 0.297832 0.876029 H\n0.524187 0.945545 0.216135 H\n0.475813 0.054455 0.783865 H\n0.127020 0.717122 0.525031 H\n0.872980 0.282878 0.474969 H\n0.083985 0.101919 0.548312 H\n0.210534 0.819011 0.365346 H\n0.789466 0.180989 0.634654 H\n0.305678 0.450266 0.508555 H\n0.694322 0.549734 0.491445 H\n0.916014 0.898081 0.451688 H\n0.517630 0.520752 0.651093 H\n0.482370 0.479248 0.348907 H\n0.215787 0.825165 0.750369 H\n0.784212 0.174835 0.249631 H\n0.422149 0.596392 0.910953 H\n0.577851 0.403608 0.089048 H\n0.843803 0.096549 0.069920 H\n0.829447 0.366568 0.958573 H\n0.579712 0.708116 0.623941 H\n0.420287 0.291884 0.376059 H\n0.170552 0.633432 0.041427 H\n0.653428 0.573199 0.610262 C\n0.715553 0.646684 0.174543 C\n0.284446 0.353316 0.825457 C\n0.790262 0.746059 0.256545 C\n0.209738 0.253941 0.743455 C\n0.065381 0.783586 0.422709 C\n0.934619 0.216414 0.577291 C\n-0.004310 0.676812 0.328345 C\n0.004310 0.323188 0.671655 C\n0.346571 0.426801 0.389738 C\n0.129590 0.506727 0.312636 C\n0.127937 0.133166 0.154697 C\n0.053204 0.412946 0.226022 C\n0.946795 0.587054 0.773978 C\n0.846003 0.477779 0.159211 C\n0.153996 0.522221 0.840789 C\n0.770936 0.363411 0.077582 C\n0.229064 0.636589 0.922419 C\n0.872040 0.185702 0.138062 C\n0.127960 0.814298 0.861938 C\n0.872062 0.866834 0.845303 C\n0.870409 0.493273 0.687364 C\n0.795600 0.753417 0.797035 O\n0.336156 0.089256 0.727158 O\n0.663843 0.910744 0.272842 O\n0.726799 0.007439 0.867575 O\n0.273201 0.992561 0.132426 O\n0.204400 0.246583 0.202965 O\n",
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{
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"structure_string": "Ca1 H8 C6 O4\n1.0\n3.703109 -0.078384 -0.290223\n-1.216310 4.492611 -0.099280\n0.086013 -0.046105 10.105497\nCa H C O\n1 8 6 4\ndirect\n0.011981 0.039604 0.213033 Ca\n0.266471 0.844103 0.852331 H\n0.728100 0.867630 0.906163 H\n0.168034 0.310476 0.761832 H\n0.638002 0.337670 0.814045 H\n0.757849 0.235222 0.573764 H\n0.296141 0.211542 0.519975 H\n0.386216 0.741592 0.612040 H\n0.856183 0.768790 0.664253 H\n0.449266 0.705683 0.886088 C\n0.450339 0.469512 0.778391 C\n0.573875 0.609755 0.647699 C\n0.712474 0.492523 0.408834 C\n0.311567 0.586672 0.017240 C\n0.574942 0.373555 0.540013 C\n0.399439 0.774650 0.119632 O\n0.912311 0.758444 0.403236 O\n0.111703 0.320746 0.022814 O\n0.624495 0.304516 0.306451 O\n",
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"structure_string": "Zr1 Zn1 F3\n1.0\n4.124297 0.000000 0.000000\n-0.000000 4.124297 0.000000\n-0.000000 -0.000000 4.124297\nZr Zn F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Zn\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
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"structure_string": "H2 C2 N2 O6\n1.0\n4.453474 -0.000213 0.002300\n0.000959 4.670905 1.146052\n-0.001197 0.001383 5.519563\nH C N O\n2 2 2 6\ndirect\n0.601462 0.539579 0.286125 H\n0.601460 0.039581 0.786124 H\n0.101439 0.727404 0.259792 C\n0.101437 0.227405 0.759792 C\n0.601463 0.748519 0.174632 N\n0.601461 0.248521 0.674631 N\n0.101528 0.480497 0.242483 O\n0.101526 0.980495 0.742483 O\n0.853911 0.389888 0.769164 O\n0.853913 0.889887 0.269164 O\n0.348848 0.889912 0.269107 O\n0.348846 0.389913 0.769106 O\n",
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