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{
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{
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"structure_string": "Li12 Mn2 O4 F8\n1.0\n5.541933 0.055978 -0.019391\n-2.261672 -6.597883 0.002325\n-0.030842 0.007708 -8.250604\nLi Mn O F\n12 2 4 8\ndirect\n0.978475 0.006736 0.346201 Li\n0.587314 0.178625 0.159412 Li\n0.307324 0.329004 0.297214 Li\n0.693479 0.170773 0.796266 Li\n0.587961 0.678509 0.339629 Li\n0.020529 0.494013 0.846201 Li\n-0.020529 0.505986 0.153799 Li\n0.412039 0.321490 0.660371 Li\n0.306521 0.829226 0.203734 Li\n0.692676 0.670995 0.702786 Li\n0.412685 0.821374 0.840587 Li\n0.021525 0.993263 0.653799 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.227544 0.076358 0.182008 O\n0.771907 0.423878 0.681663 O\n0.228093 0.576121 0.318337 O\n0.772456 0.923641 0.817992 O\n0.668507 0.438436 0.273647 F\n0.853174 0.292723 0.004025 F\n0.853226 0.792818 0.495413 F\n0.667933 0.938582 0.225870 F\n0.332067 0.061416 0.774130 F\n0.146774 0.207181 0.504587 F\n0.146826 0.707276 -0.004025 F\n0.331492 0.561563 0.726353 F\n",
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"structure_string": "B1 P1 O2\n1.0\n3.119838 0.000000 0.000000\n0.000000 3.119838 -0.000000\n0.000000 0.000000 5.570325\nB P O\n1 1 2\ndirect\n0.500000 0.500000 0.353173 B\n0.000000 0.000000 0.173721 P\n0.000000 0.000000 0.908903 O\n0.500000 0.500000 0.574206 O\n",
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{
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"structure_string": "P2 H4 F6\n1.0\n4.823485 -0.008004 0.000000\n-1.599227 4.550664 0.000000\n0.000000 0.000000 6.028672\nP H F\n2 4 6\ndirect\n0.687076 0.312924 0.251107 P\n0.312924 0.687075 0.751106 P\n0.837379 0.612705 0.274813 H\n0.162621 0.387294 0.774813 H\n0.387295 0.162621 0.274813 H\n0.612705 0.837378 0.774813 H\n0.634122 0.365879 0.981077 F\n0.740471 0.259530 0.518253 F\n0.118495 0.881503 0.682936 F\n0.881505 0.118497 0.182936 F\n0.259529 0.740470 0.018253 F\n0.365879 0.634121 0.481077 F\n",
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{
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"updated_at": "2022-09-04T14:36:52.187496Z",
"structure_string": "Sn1 H6 C4 O4\n1.0\n5.490855 -0.114035 2.909346\n2.310745 5.221184 1.871733\n0.006501 -0.085758 6.008245\nSn H C O\n1 6 4 4\ndirect\n0.469729 0.222698 0.886596 Sn\n0.965582 0.539565 0.949715 H\n0.965692 0.285363 0.202638 H\n0.035347 0.542129 0.207244 H\n-0.013155 0.966942 0.628467 H\n0.935114 0.270830 0.682124 H\n0.935575 0.014635 0.934511 H\n0.056813 0.421727 0.085816 C\n0.885246 0.103876 0.768068 C\n0.478623 0.027218 0.472576 C\n0.478727 0.808573 0.691137 C\n0.478591 -0.005847 0.277214 O\n0.475900 0.848734 0.890007 O\n0.475560 0.226192 0.512813 O\n0.478609 0.613228 0.658105 O\n",
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{
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"created_at": "2022-09-04T14:35:43.375281Z",
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"structure_string": "H12 Cl4 O20\n1.0\n8.905885 0.000000 0.000000\n0.000000 5.699744 -0.000000\n0.000000 -0.000000 6.861721\nH Cl O\n12 4 20\ndirect\n0.211685 0.250000 0.613349 H\n0.711684 0.250000 0.886650 H\n0.788315 0.749999 0.386650 H\n0.288315 0.749999 0.113349 H\n0.819019 0.250000 0.672441 H\n0.899660 0.250000 0.904386 H\n0.319019 0.250000 0.827558 H\n0.399660 0.250000 0.595614 H\n0.100340 0.749999 0.095614 H\n0.180980 0.749999 0.327558 H\n0.600339 0.749999 0.404386 H\n0.680980 0.749999 0.172442 H\n0.562422 0.749999 0.813543 Cl\n0.062422 0.749999 0.686457 Cl\n0.937577 0.250000 0.313543 Cl\n0.437577 0.250000 0.186457 Cl\n0.073089 0.542156 0.809176 O\n0.310428 0.250000 0.678384 O\n0.810428 0.250000 0.821615 O\n0.426911 0.042156 0.309176 O\n0.926910 0.457844 0.190824 O\n0.573089 0.542156 0.690824 O\n0.073089 0.957843 0.809176 O\n0.573089 0.957843 0.690824 O\n0.426911 0.457844 0.309176 O\n0.309629 0.250000 0.047803 O\n0.421073 0.749999 0.920694 O\n0.921073 0.749999 0.579305 O\n0.578926 0.250000 0.079305 O\n0.078926 0.250000 0.420695 O\n0.690371 0.749999 0.952197 O\n0.190371 0.749999 0.547803 O\n0.189572 0.749999 0.178384 O\n0.809628 0.250000 0.452197 O\n0.926910 0.042156 0.190824 O\n0.689571 0.749999 0.321616 O\n",
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{
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"structure_string": "Sr1 Ta1 N1\n1.0\n6.604132 0.000000 0.000000\n0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nSr Ta N\n1 1 1\ndirect\n0.000271 0.343415 0.000000 Sr\n-0.091518 -0.008860 0.000000 Ta\n0.305109 0.000777 0.000000 N\n",
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{
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"structure_string": "K2 Rb1 As1 Cl6\n1.0\n6.729923 -0.000000 3.885523\n2.243308 6.345032 3.885523\n-0.000000 -0.000000 7.771046\nK Rb As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.772702 0.227297 0.227297 Cl\n0.227297 0.227297 0.772703 Cl\n0.227298 0.772702 0.772703 Cl\n0.227298 0.772702 0.227297 Cl\n0.772702 0.227297 0.772703 Cl\n0.772703 0.772702 0.227297 Cl\n",
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{
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"structure_string": "Zr1 H12 C8 O4\n1.0\n4.120665 0.005645 0.006551\n1.398685 4.024497 -0.124557\n0.075067 -0.107080 11.690188\nZr H C O\n1 12 8 4\ndirect\n0.818113 0.539008 0.872724 Zr\n0.899883 0.100509 0.411309 H\n0.179949 0.258565 0.567459 H\n0.417360 0.834359 0.591480 H\n0.168923 0.431647 0.359900 H\n0.490812 0.475068 0.449660 H\n0.814919 0.793531 0.489620 H\n0.690643 0.519156 0.264634 H\n0.695544 0.685044 0.084673 H\n0.462952 0.110895 0.090808 H\n0.990636 0.004070 0.198211 H\n0.154774 0.575071 0.160005 H\n0.529011 0.937679 0.312932 H\n0.430581 0.866261 0.080459 C\n0.230091 0.794251 0.181987 C\n0.451186 0.721543 0.288954 C\n0.288297 0.612307 0.392103 C\n0.310993 0.831033 0.959117 C\n0.161703 0.009846 0.574413 C\n0.943659 0.006309 0.678571 C\n0.020774 0.888010 0.464360 C\n0.312737 0.496085 0.936779 O\n0.717540 0.270974 0.720120 O\n0.991046 0.723466 0.720180 O\n0.974624 0.040715 0.934030 O\n",
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{
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"created_at": "2022-09-04T14:38:49.091589Z",
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"structure_string": "Mg1 H2 Cl1\n1.0\n-1.621194 1.621194 4.322508\n1.621194 -1.621194 4.322508\n1.621194 1.621194 -4.322508\nMg H Cl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 H\n0.250000 0.749998 0.499998 H\n0.749998 0.250000 0.499998 Cl\n",
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}