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{
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{
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{
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"structure_string": "Li4 V4 P12 O36\n1.0\n0.000964 0.000066 -7.069064\n5.177906 -8.969586 -0.000635\n-10.360651 -5.984295 2.357819\nLi V P O\n4 4 12 36\ndirect\n0.391902 0.499954 0.249869 Li\n0.142421 0.999945 0.499941 Li\n0.892330 0.499936 0.749940 Li\n0.642116 0.999951 0.000056 Li\n0.511925 0.999754 0.500034 V\n0.261646 0.500106 0.750047 V\n0.761484 0.500135 0.250092 V\n0.011746 0.999823 0.000053 V\n0.377176 0.286766 0.576533 P\n0.126788 0.786807 0.826316 P\n0.877180 0.286735 0.076674 P\n0.626645 0.786783 0.326216 P\n0.160541 0.280109 0.927150 P\n0.910337 0.779861 0.176707 P\n0.660300 0.280340 0.426996 P\n0.410289 0.779972 0.676677 P\n0.266662 0.933012 0.246706 P\n0.017434 0.433419 0.496518 P\n0.766715 0.933002 0.746716 P\n0.517414 0.433300 0.996550 P\n0.226984 0.376094 0.490525 O\n0.976454 0.876315 0.740649 O\n0.727038 0.376023 0.990678 O\n0.476405 0.876368 0.240417 O\n0.075987 0.320930 0.037284 O\n0.825233 0.821367 0.286557 O\n0.575974 0.321030 0.537177 O\n0.325268 0.821558 0.786572 O\n0.137280 0.802246 0.222267 O\n0.887084 0.303208 0.472493 O\n0.637260 0.802308 0.722259 O\n0.387369 0.302925 0.972560 O\n0.584181 0.376492 0.335995 O\n0.335286 0.875958 0.585500 O\n0.084920 0.376425 0.836359 O\n0.835290 0.875790 0.085446 O\n0.572248 0.647806 0.299402 O\n0.323976 0.147499 0.550289 O\n0.072573 0.647825 0.799609 O\n0.823917 0.147441 0.050490 O\n0.511718 0.476268 0.114119 O\n0.260759 0.975650 0.364319 O\n0.011823 0.476338 0.614060 O\n0.760929 0.975689 0.864409 O\n0.967098 0.526766 0.401978 O\n0.716162 0.026371 0.652308 O\n0.467040 0.526643 0.902037 O\n0.216097 0.026422 0.152289 O\n0.896327 0.335208 0.193637 O\n0.646462 0.834418 0.443411 O\n0.396240 0.335185 0.693455 O\n0.146512 0.834442 0.943557 O\n0.883499 0.638645 0.154305 O\n0.634133 0.139035 0.404731 O\n0.383284 0.638776 0.654249 O\n0.134171 0.138825 0.904815 O\n",
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{
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{
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"structure_string": "Cu2 H24 C4 N12 O24\n1.0\n8.741352 0.000000 -2.300583\n0.000000 8.988919 0.000000\n-0.098224 0.000000 9.690456\nCu H C N O\n2 24 4 12 24\ndirect\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.267515 0.608850 0.267779 H\n0.732485 0.108850 0.232221 H\n0.732485 0.391150 0.732221 H\n0.267515 0.891150 0.767779 H\n0.269934 0.442621 0.350961 H\n0.730066 0.942621 0.149039 H\n0.730066 0.557379 0.649039 H\n0.269934 0.057379 0.850961 H\n0.249641 0.601102 0.435160 H\n0.750359 0.101102 0.064840 H\n0.750359 0.398898 0.564840 H\n0.249641 0.898898 0.935160 H\n0.026065 0.484513 0.172364 H\n0.973935 0.984513 0.327636 H\n0.973935 0.515487 0.827636 H\n0.026065 0.015487 0.672364 H\n0.005275 0.469178 0.350485 H\n0.994725 0.969178 0.149515 H\n0.994725 0.530822 0.649515 H\n0.005275 0.030822 0.850485 H\n0.001115 0.648481 0.269094 H\n0.998885 0.148481 0.230906 H\n0.998885 0.351519 0.730906 H\n0.001115 0.851519 0.769094 H\n0.051145 0.537093 0.277814 C\n0.948855 0.037093 0.222186 C\n0.948855 0.462907 0.722186 C\n0.051145 0.962907 0.777814 C\n0.220617 0.548345 0.336133 N\n0.779383 0.048345 0.163867 N\n0.779383 0.451655 0.663867 N\n0.220617 0.951655 0.836133 N\n0.263336 0.309266 0.997635 N\n0.736664 0.809266 0.502365 N\n0.736664 0.690734 0.002365 N\n0.263336 0.190734 0.497635 N\n0.643031 0.399136 0.279808 N\n0.356969 0.899136 0.220192 N\n0.356969 0.600864 0.720192 N\n0.643031 0.100864 0.779808 N\n0.316625 0.435078 0.058935 O\n0.683375 0.935078 0.441065 O\n0.683375 0.564922 0.941065 O\n0.316625 0.064922 0.558935 O\n0.148548 0.254580 0.025537 O\n0.851452 0.754580 0.474463 O\n0.851452 0.745420 0.974463 O\n0.148548 0.245420 0.525537 O\n0.331345 0.251558 0.912645 O\n0.668655 0.751558 0.587355 O\n0.668655 0.748442 0.087355 O\n0.331345 0.248442 0.412645 O\n0.637818 0.373559 0.145575 O\n0.362182 0.873559 0.354425 O\n0.362182 0.626441 0.854425 O\n0.637818 0.126441 0.645575 O\n0.571080 0.504038 0.313551 O\n0.428920 0.004038 0.186449 O\n0.428920 0.495962 0.686449 O\n0.571080 0.995962 0.813551 O\n0.726422 0.311418 0.369705 O\n0.273578 0.811418 0.130295 O\n0.273578 0.688582 0.630295 O\n0.726422 0.188582 0.869705 O\n",
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}