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{
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{
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"updated_at": "2022-09-04T14:35:51.489617Z",
"structure_string": "Rb6 Mg6 F18\n1.0\n6.854623 0.000000 -0.000000\n-3.427312 5.936278 0.000000\n-0.000000 -0.000000 14.191360\nRb Mg F\n6 6 18\ndirect\n0.333333 0.666667 0.139453 Rb\n0.333333 0.666667 0.360547 Rb\n0.666667 0.333333 0.860547 Rb\n0.666667 0.333333 0.639453 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.842112 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.157888 Mg\n0.333333 0.666667 0.657888 Mg\n0.666667 0.333333 0.342112 Mg\n0.543732 0.087465 0.250000 F\n0.912534 0.456267 0.250000 F\n0.456267 0.543733 0.750000 F\n0.087466 0.543733 0.750000 F\n0.865498 0.134502 0.915096 F\n0.134502 0.269005 0.084904 F\n0.269005 0.134502 0.584904 F\n0.134502 0.269005 0.415096 F\n0.730995 0.865498 0.415096 F\n0.456268 0.912535 0.750000 F\n0.865498 0.134502 0.584904 F\n0.134502 0.865498 0.084904 F\n0.269005 0.134502 0.915096 F\n0.865498 0.730995 0.915096 F\n0.730995 0.865498 0.084904 F\n0.543733 0.456267 0.250000 F\n0.134502 0.865498 0.415096 F\n0.865498 0.730995 0.584904 F\n",
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{
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{
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"structure_string": "H48 C12 S12 N24\n1.0\n5.572585 -0.000000 0.000000\n-0.000000 7.115518 0.000000\n0.000000 0.000000 25.031811\nH C S N\n48 12 12 24\ndirect\n0.945675 0.518942 0.204158 H\n0.284048 0.402316 0.506164 H\n0.215951 0.902317 0.993836 H\n0.284048 0.402316 0.993836 H\n0.215951 0.902317 0.506164 H\n0.715951 0.597684 0.493836 H\n0.784048 0.097684 0.006164 H\n0.853982 0.785532 0.133094 H\n0.646017 0.285531 0.366906 H\n0.146018 0.214469 0.633094 H\n0.353982 0.714469 0.866906 H\n0.146018 0.214469 0.866906 H\n0.353982 0.714469 0.633094 H\n0.853982 0.785532 0.366906 H\n0.646017 0.285531 0.133094 H\n0.609433 0.680415 0.165939 H\n0.890566 0.180415 0.334061 H\n0.390566 0.319585 0.665939 H\n0.109433 0.819585 0.834061 H\n0.390566 0.319585 0.834061 H\n0.109433 0.819585 0.665939 H\n0.609433 0.680415 0.334061 H\n0.784048 0.097684 0.493836 H\n0.715951 0.597684 0.006164 H\n0.890566 0.180415 0.165939 H\n0.918050 0.733414 0.455148 H\n0.581949 0.233414 0.044852 H\n0.554323 0.018941 0.295842 H\n0.445676 0.981059 0.795842 H\n0.054324 0.481059 0.795842 H\n0.445676 0.981059 0.704158 H\n0.945675 0.518942 0.295842 H\n0.554323 0.018941 0.204158 H\n0.214341 0.497944 0.168075 H\n0.285659 0.997944 0.331925 H\n0.785658 0.502056 0.668075 H\n0.054324 0.481059 0.704158 H\n0.785658 0.502056 0.831925 H\n0.714341 0.002056 0.831925 H\n0.081950 0.266586 0.955148 H\n0.418050 0.766586 0.955148 H\n0.081950 0.266586 0.544852 H\n0.418050 0.766586 0.544852 H\n0.918050 0.733414 0.044852 H\n0.285659 0.997944 0.168075 H\n0.214341 0.497944 0.331925 H\n0.714341 0.002056 0.668075 H\n0.581949 0.233414 0.455148 H\n0.124698 0.867004 0.914882 C\n0.875301 0.132996 0.085118 C\n0.624698 0.632996 0.414882 C\n0.124698 0.867004 0.585118 C\n0.375301 0.367004 0.914882 C\n0.375301 0.367004 0.585118 C\n0.749653 0.008017 0.750000 C\n0.624698 0.632996 0.085118 C\n0.750345 0.508017 0.750000 C\n0.250346 0.991983 0.250000 C\n0.249654 0.491983 0.250000 C\n0.875301 0.132996 0.414882 C\n0.135037 0.003145 0.082276 S\n0.864962 0.996855 0.917724 S\n0.364962 0.503146 0.417724 S\n0.864962 0.996855 0.582276 S\n0.635037 0.496855 0.917724 S\n0.635037 0.496855 0.582276 S\n0.556219 0.470963 0.250000 S\n0.364962 0.503146 0.082276 S\n0.056219 0.029037 0.750000 S\n0.443780 0.529037 0.750000 S\n0.943780 0.970963 0.250000 S\n0.135037 0.003145 0.417724 S\n0.196010 0.787537 0.631190 N\n0.303989 0.287536 0.868810 N\n0.196010 0.787537 0.868810 N\n0.303989 0.287536 0.631190 N\n0.803989 0.212464 0.368810 N\n0.696010 0.712464 0.131190 N\n0.737253 0.157040 0.041964 N\n0.762746 0.657040 0.458036 N\n0.262746 0.842960 0.541964 N\n0.237253 0.342960 0.958036 N\n0.262746 0.842960 0.958036 N\n0.737253 0.157040 0.458036 N\n0.762746 0.657040 0.041964 N\n0.373383 0.998387 0.204108 N\n0.126616 0.498387 0.295891 N\n0.626616 0.001613 0.704108 N\n0.873383 0.501614 0.795891 N\n0.626616 0.001613 0.795891 N\n0.873383 0.501614 0.704108 N\n0.373383 0.998387 0.295891 N\n0.126616 0.498387 0.204108 N\n0.696010 0.712464 0.368810 N\n0.237253 0.342960 0.541964 N\n0.803989 0.212464 0.131190 N\n",
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