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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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{
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"structure_string": "Tm1 Co12 B6\n1.0\n5.754841 0.003055 -1.444598\n-1.852749 5.448442 -1.444598\n0.002186 0.003055 5.933384\nTm Co B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.185941 0.453675 0.453675 Co\n0.453676 0.453675 0.185940 Co\n0.453676 0.185940 0.453675 Co\n0.546324 0.546323 0.814058 Co\n0.546324 0.814058 0.546323 Co\n0.814059 0.546323 0.546323 Co\n0.132070 0.499999 0.867929 Co\n0.500000 0.867930 0.132069 Co\n0.867930 0.499999 0.132069 Co\n0.500000 0.132068 0.867929 Co\n0.132069 0.867930 0.499999 Co\n0.867930 0.132068 0.499999 Co\n0.233074 0.233074 0.679846 B\n0.766925 0.320152 0.766924 B\n0.766925 0.766924 0.320152 B\n0.320153 0.766924 0.766924 B\n0.233074 0.679846 0.233074 B\n0.679847 0.233074 0.233074 B\n",
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"structure_string": "Ba2 Y2 Co4 O11\n1.0\n3.779318 0.000000 0.000000\n-0.000000 7.485717 0.000000\n0.000000 0.000000 7.918754\nBa Y Co O\n2 2 4 11\ndirect\n0.500000 0.000000 0.254080 Ba\n0.500000 0.000000 0.745919 Ba\n0.500000 0.500000 0.228194 Y\n0.500000 0.500000 0.771805 Y\n0.000000 0.250172 0.000000 Co\n0.000000 0.749829 0.000000 Co\n0.000000 0.261115 0.500000 Co\n0.000000 0.738886 0.500000 Co\n0.000000 0.298586 0.736219 O\n0.000000 0.701414 0.263781 O\n0.000000 0.701414 0.736219 O\n0.000000 0.298586 0.263781 O\n0.500000 0.312779 0.500000 O\n0.500000 0.275121 0.000000 O\n0.500000 0.687222 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.500000 0.724879 0.000000 O\n0.000000 0.500000 0.000000 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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{
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"structure_string": "Ca9 Fe2 N8\n1.0\n8.894027 0.013172 3.264701\n1.355060 4.732055 0.000000\n-0.012030 0.003445 7.627374\nCa Fe N\n9 2 8\ndirect\n0.000000 0.499999 0.500000 Ca\n0.074431 0.962782 0.764999 Ca\n0.925570 0.037215 0.235000 Ca\n0.654012 0.672993 0.449121 Ca\n0.345989 0.327005 0.550878 Ca\n0.822526 0.588736 0.982794 Ca\n0.177475 0.411262 0.017205 Ca\n0.611811 0.194093 0.812565 Ca\n0.388190 0.805904 0.187434 Ca\n0.614178 0.192911 0.200934 Fe\n0.385823 0.807087 0.799065 Fe\n0.216853 0.891573 0.000699 N\n0.783148 0.108426 -0.000699 N\n0.362847 0.818575 0.583295 N\n0.637153 0.181423 0.416705 N\n0.572172 0.713913 0.812997 N\n0.427829 0.286084 0.187002 N\n0.074922 0.462538 0.755355 N\n0.925079 0.537460 0.244644 N\n",
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{
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"structure_string": "Mg1 Fe10 N8\n1.0\n7.888837 0.007080 3.501029\n0.635170 3.108389 -0.000000\n-0.021341 0.004361 7.663887\nMg Fe N\n1 10 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.304093 0.847954 0.201210 Fe\n0.194727 0.402637 0.895079 Fe\n0.805274 0.597363 0.104921 Fe\n0.343621 0.328189 0.529822 Fe\n0.695907 0.152046 0.798791 Fe\n0.007119 0.996441 0.174432 Fe\n0.992882 0.003559 0.825568 Fe\n0.543496 0.228251 0.187376 Fe\n0.456504 0.771749 0.812624 Fe\n0.656380 0.671811 0.470178 Fe\n0.099011 0.450494 0.718029 N\n0.233332 0.883334 0.006694 N\n0.766669 0.116666 0.993306 N\n0.407372 0.796314 0.611219 N\n0.592628 0.203686 0.388782 N\n0.700947 0.649527 0.691196 N\n0.299053 0.350473 0.308804 N\n0.900990 0.549506 0.281972 N\n",
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"created_at": "2022-09-04T14:38:44.530145Z",
"updated_at": "2022-09-04T14:38:44.530162Z",
"structure_string": "Cd1 H8 C6 O4\n1.0\n3.710755 -0.114924 -0.273016\n-1.233857 4.399242 -0.117171\n0.204102 -0.099605 10.027644\nCd H C O\n1 8 6 4\ndirect\n0.006226 0.786290 0.787368 Cd\n0.242237 0.576539 0.433686 H\n0.709347 0.619117 0.483665 H\n0.163125 0.040396 0.334154 H\n0.377905 0.492234 0.189339 H\n0.303333 0.953341 0.091092 H\n0.770525 0.996096 0.141019 H\n0.634676 0.080271 0.385407 H\n0.849450 0.532130 0.240592 H\n0.707397 0.257737 0.978752 C\n0.578436 0.128091 0.110856 C\n0.569043 0.362562 0.222430 C\n0.305048 0.314878 0.595975 C\n0.434190 0.444452 0.463882 C\n0.443549 0.209953 0.352313 C\n0.899059 0.537739 0.978002 O\n0.387166 0.498881 0.701687 O\n0.113225 0.034922 0.596739 O\n0.625296 0.073791 0.873025 O\n",
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"structure_string": "Th7 Te12\n1.0\n6.295001 -10.903260 -0.000000\n6.295000 10.903260 0.000000\n0.000000 -0.000000 4.367984\nTh Te\n7 12\ndirect\n0.560700 0.723065 0.000000 Th\n0.276935 0.837635 0.000000 Th\n0.162365 0.439300 0.000000 Th\n0.835265 0.547412 0.500000 Th\n0.452588 0.287852 0.500000 Th\n0.712148 0.164735 0.500000 Th\n0.000000 0.000000 0.000000 Th\n0.782090 0.786284 0.500000 Te\n0.213716 0.995807 0.500000 Te\n0.004193 0.217909 0.500000 Te\n0.478179 0.864609 0.500000 Te\n0.868083 0.375826 0.000000 Te\n0.752844 0.008513 0.000000 Te\n0.624174 0.492257 0.000000 Te\n0.386429 0.521821 0.500000 Te\n0.255668 0.247156 0.000000 Te\n0.991487 0.744332 0.000000 Te\n0.507743 0.131917 0.000000 Te\n0.135391 0.613571 0.500000 Te\n",
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}