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{
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"structure_string": "Cd1 H10 C7 O4\n1.0\n3.754920 0.138088 0.640458\n1.093805 4.366426 0.621918\n0.192280 0.259845 11.352759\nCd H C O\n1 10 7 4\ndirect\n0.945220 0.891851 0.202061 Cd\n0.422936 0.742709 0.548698 H\n0.534753 0.666236 0.778804 H\n0.077603 0.641098 0.822427 H\n0.217079 0.183845 0.707667 H\n0.671786 0.212531 0.657041 H\n0.782478 0.180184 0.902557 H\n0.386310 0.058057 0.910617 H\n0.098310 0.232389 0.508610 H\n0.929254 0.616630 0.440064 H\n-0.027617 0.741164 0.618057 H\n0.478331 0.392179 0.370194 C\n0.168385 0.450993 0.475600 C\n0.240920 0.589640 0.581533 C\n0.386435 0.350033 0.685190 C\n0.364709 0.501246 0.798380 C\n0.479031 0.267559 0.907143 C\n0.324738 0.387758 0.028941 C\n0.136589 0.669113 0.030869 O\n0.490092 0.614967 0.284391 O\n0.710007 0.126541 0.370025 O\n0.380391 0.196026 0.124983 O\n",
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{
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"structure_string": "Sc4 H10\n1.0\n3.350929 -0.000000 0.000000\n-3.350929 5.759587 0.000000\n0.000000 -0.000000 6.050146\nSc H\n4 10\ndirect\n0.337621 0.837622 0.250000 Sc\n0.324875 0.324875 0.250000 Sc\n0.662379 0.662379 0.750000 Sc\n0.675126 0.175126 0.750000 Sc\n0.006607 0.506607 0.750000 H\n0.356730 0.856730 0.911323 H\n0.356730 0.856730 0.588678 H\n0.643271 0.643271 0.088678 H\n0.643271 0.643271 0.411323 H\n0.305847 0.305847 0.908937 H\n0.305847 0.305847 0.591064 H\n0.993393 0.993393 0.250000 H\n0.694153 0.194153 0.091063 H\n0.694153 0.194153 0.408937 H\n",
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{
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"created_at": "2022-09-04T14:38:05.227780Z",
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"structure_string": "Mg4 Si4 O12\n1.0\n4.815167 -0.000000 0.000000\n-0.000000 4.973330 0.000000\n0.000000 0.000000 6.966198\nMg Si O\n4 4 12\ndirect\n0.514870 0.556643 0.250000 Mg\n0.014870 0.943357 0.750000 Mg\n0.985131 0.056643 0.250000 Mg\n0.485130 0.443357 0.750000 Mg\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.605034 0.035812 0.750000 O\n0.105034 0.464188 0.250000 O\n0.195613 0.200986 0.554248 O\n0.695613 0.299014 0.445752 O\n0.304388 0.700986 0.945752 O\n0.695613 0.299014 0.054248 O\n0.804388 0.799014 0.445752 O\n0.304388 0.700986 0.554248 O\n0.394967 0.964188 0.250000 O\n0.195613 0.200986 0.945752 O\n0.804388 0.799014 0.054248 O\n0.894967 0.535812 0.750000 O\n",
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{
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"updated_at": "2022-09-04T14:38:54.533944Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n2.852418 -0.000000 0.000000\n0.000000 4.837477 -0.949428\n0.000000 0.056852 9.664273\nLi Mn Co O\n5 2 1 8\ndirect\n0.500000 0.282782 0.279745 Li\n0.500000 0.717218 0.720255 Li\n-0.000000 0.752645 0.266820 Li\n-0.000000 0.247355 0.733180 Li\n-0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 -0.000000 Co\n0.500000 0.873874 0.107248 O\n0.500000 0.345048 0.618203 O\n-0.000000 0.370176 0.106843 O\n-0.000000 0.883152 0.612786 O\n0.500000 0.654952 0.381796 O\n0.500000 0.126126 0.892752 O\n-0.000000 0.116848 0.387214 O\n-0.000000 0.629824 0.893157 O\n",
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{
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"created_at": "2022-09-04T14:36:49.726332Z",
"updated_at": "2022-09-04T14:36:49.726349Z",
"structure_string": "Cd1 H10 C7 O4\n1.0\n3.689188 -0.456763 0.648971\n-0.409665 4.278471 0.169833\n1.104005 -0.057279 11.968882\nCd H C O\n1 10 7 4\ndirect\n0.359469 0.015358 0.796530 Cd\n0.943801 0.717012 0.430782 H\n-0.034898 0.734455 0.209723 H\n0.459244 0.789815 0.177511 H\n0.375099 0.259069 0.289110 H\n0.884479 0.213956 0.323248 H\n0.933057 0.223659 0.110378 H\n0.421365 0.272058 0.079572 H\n0.813233 0.174474 0.535819 H\n0.289739 0.176958 0.498138 H\n0.433598 0.742913 0.399585 H\n0.138115 0.464889 0.630432 C\n0.091635 0.337847 0.517908 C\n0.159788 0.573629 0.413743 C\n0.151476 0.395774 0.305581 C\n0.194885 0.605989 0.196440 C\n0.197814 0.406042 0.093012 C\n0.241693 0.593167 0.980568 C\n0.078844 0.825315 0.982724 O\n-0.019371 0.269248 0.722670 O\n0.340781 0.736415 0.631567 O\n0.444680 0.525172 0.884842 O\n",
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{
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"created_at": "2022-09-04T14:38:25.826144Z",
"updated_at": "2022-09-04T14:38:25.826160Z",
"structure_string": "Li3 Fe1 Co4 O8\n1.0\n4.955021 -0.002065 -2.792925\n-1.594910 4.752747 -2.833413\n-0.035358 -0.050128 5.729467\nLi Fe Co O\n3 1 4 8\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500001 Li\n0.500000 0.000001 0.000001 Fe\n0.500000 0.500001 0.000001 Co\n0.000000 0.000000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 0.500001 0.500001 Co\n0.739844 0.257649 0.479697 O\n0.720356 0.740575 -0.025264 O\n0.254399 0.740579 0.974739 O\n0.256349 0.277790 0.512683 O\n0.743651 0.722212 0.487319 O\n0.745601 0.259423 0.025263 O\n0.279644 0.259427 0.025267 O\n0.260156 0.742352 0.520305 O\n",
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{
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"structure_string": "Cd1 H10 C7 O4\n1.0\n3.769824 -0.515650 -0.261671\n-1.622102 4.388668 -0.152365\n-0.394361 0.008003 11.718275\nCd H C O\n1 10 7 4\ndirect\n0.184325 0.005358 0.195810 Cd\n0.842935 0.189188 0.585880 H\n0.947393 0.240796 0.807147 H\n0.461239 0.385085 0.805519 H\n0.495040 0.852054 0.694469 H\n0.980804 0.708308 0.696057 H\n0.078666 0.758293 0.915652 H\n0.589002 0.917919 0.912375 H\n0.878017 0.662657 0.475941 H\n0.388775 0.806502 0.474634 H\n0.357205 0.334219 0.584153 H\n0.034324 0.384554 0.365285 C\n0.105775 0.582323 0.477101 C\n0.127241 0.412679 0.585589 C\n0.210699 0.628464 0.695316 C\n0.230576 0.463734 0.805512 C\n0.314932 0.686833 0.912890 C\n0.355420 0.551133 0.026825 C\n0.251817 0.253077 0.028766 O\n-0.100250 0.453974 0.271317 O\n0.119778 0.151166 0.369425 O\n0.499828 0.750022 0.118179 O\n",
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{
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"structure_string": "Hf1 H8 C6 O4\n1.0\n3.785697 -0.145322 -0.525944\n-1.443890 4.375311 -0.749995\n-0.856865 0.269221 9.764484\nHf H C O\n1 8 6 4\ndirect\n0.704136 0.815390 0.686867 Hf\n0.175984 0.364388 0.074008 H\n0.514454 0.187042 0.094061 H\n0.720758 0.890896 0.140179 H\n0.051868 0.704968 0.166242 H\n0.483132 0.207459 0.326333 H\n-0.009255 0.337515 0.373409 H\n0.000395 0.887542 0.397813 H\n0.498754 0.744593 0.343258 H\n0.471058 0.399254 0.068929 C\n0.763823 0.685082 0.174306 C\n0.751123 0.693506 0.329872 C\n0.745029 0.426340 0.543040 C\n0.744512 0.401305 0.386744 C\n0.467551 0.395310 0.914346 C\n0.681749 0.634009 0.880439 O\n0.681218 0.139321 0.581134 O\n0.111198 0.644416 0.636749 O\n0.259891 0.148386 0.824277 O\n",
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}