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"structure_string": "Sm20 S38\n1.0\n8.826733 -0.000000 0.000000\n0.000000 8.826733 0.000000\n-0.000000 0.000000 16.031793\nSm S\n20 38\ndirect\n0.805316 0.104609 0.853609 Sm\n-0.000000 0.500000 0.864645 Sm\n0.500000 0.000000 0.635354 Sm\n0.500000 0.000000 0.135354 Sm\n0.290772 0.598274 0.128034 Sm\n0.901725 0.790771 0.628034 Sm\n0.098275 0.209228 0.628034 Sm\n0.709228 0.401725 0.128034 Sm\n0.209228 0.901725 0.371966 Sm\n0.598274 0.709228 0.871966 Sm\n-0.000000 0.500000 0.364646 Sm\n0.790771 0.098275 0.371966 Sm\n0.401725 0.290772 0.871966 Sm\n0.604609 0.694684 0.353609 Sm\n0.194684 0.895391 0.853609 Sm\n0.395391 0.305316 0.353609 Sm\n0.104609 0.194684 0.146391 Sm\n0.895391 0.805316 0.146391 Sm\n0.305316 0.604609 0.646391 Sm\n0.694684 0.395391 0.646391 Sm\n0.303065 0.601754 0.311993 S\n0.398246 0.303065 0.688007 S\n0.898246 0.803065 0.811993 S\n0.101754 0.196935 0.811993 S\n0.696935 0.398246 0.311993 S\n0.196935 0.898246 0.188007 S\n0.601754 0.696935 0.688007 S\n0.803065 0.101754 0.188007 S\n0.700832 0.402073 0.822855 S\n0.902072 0.799168 0.322855 S\n0.097927 0.200832 0.322855 S\n0.200832 0.902072 0.677145 S\n0.597927 0.700832 0.177145 S\n0.402073 0.299168 0.177145 S\n0.799168 0.097927 0.677145 S\n-0.000000 0.500000 0.684745 S\n0.299168 0.597927 0.822855 S\n-0.000000 0.500000 0.184746 S\n0.779446 0.556032 0.499332 S\n0.823889 0.635037 0.000031 S\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.500000 S\n0.556032 0.220553 0.500668 S\n0.279447 0.056032 0.000668 S\n0.720553 0.943968 0.000668 S\n0.443968 0.779446 0.500668 S\n0.943968 0.279447 0.999332 S\n0.135037 0.676110 0.500031 S\n0.220553 0.443968 0.499332 S\n0.056032 0.720553 0.999332 S\n0.635037 0.176111 0.999969 S\n0.323889 0.135037 0.499969 S\n0.676110 0.864962 0.499969 S\n0.364963 0.823889 0.999969 S\n0.864962 0.323889 0.500031 S\n0.176111 0.364963 0.000031 S\n0.500000 0.000000 0.815254 S\n0.500000 0.000000 0.315254 S\n",
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{
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"structure_string": "U2 H24 N4 O28\n1.0\n6.368628 3.924644 0.000000\n-6.368628 3.924644 0.000000\n-0.000000 0.000000 11.192078\nU H N O\n2 24 4 28\ndirect\n0.863536 0.863536 0.749542 U\n0.136463 0.136463 0.249542 U\n0.090986 0.618829 0.019035 H\n0.381170 0.909013 0.519035 H\n0.909013 0.381170 0.519035 H\n0.651742 0.911538 0.079856 H\n0.911538 0.651742 0.079856 H\n0.348257 0.088461 0.579856 H\n0.088461 0.348257 0.579856 H\n0.607141 0.201494 0.467992 H\n0.201494 0.607141 0.467992 H\n0.392858 0.798505 0.967992 H\n0.798505 0.392858 0.967992 H\n0.426114 0.685804 0.420998 H\n0.685804 0.426114 0.420998 H\n0.573885 0.314194 0.920998 H\n0.314194 0.573885 0.920998 H\n0.306541 0.843295 0.306594 H\n0.843295 0.306541 0.306594 H\n0.693458 0.156703 0.806594 H\n0.156703 0.693458 0.806594 H\n0.411614 0.949483 0.178674 H\n0.949483 0.411614 0.178674 H\n0.588385 0.050515 0.678674 H\n0.050515 0.588385 0.678674 H\n0.618829 0.090986 0.019035 H\n0.794092 0.794092 0.367408 N\n0.205907 0.205907 0.867408 N\n0.506019 0.506019 0.663688 N\n0.493980 0.493980 0.163688 N\n0.960736 0.552954 0.063988 O\n0.447045 0.039263 0.563988 O\n0.039263 0.447045 0.563988 O\n0.314021 0.720710 0.425899 O\n0.720710 0.314021 0.425899 O\n0.685978 0.279289 0.925899 O\n0.279289 0.685978 0.925899 O\n0.313368 0.940674 0.242662 O\n0.940674 0.313368 0.242662 O\n0.686631 0.059325 0.742662 O\n0.059325 0.686631 0.742662 O\n0.229458 0.229458 0.397495 O\n0.770541 0.770541 0.897495 O\n0.954956 0.954956 0.600545 O\n0.785273 0.956057 0.342147 O\n0.956057 0.785273 0.342147 O\n0.214726 0.043942 0.842147 O\n0.043942 0.214726 0.842147 O\n0.494380 0.323476 0.177845 O\n0.323476 0.494380 0.177845 O\n0.505619 0.676523 0.677845 O\n0.676523 0.505619 0.677845 O\n0.647868 0.647868 0.412995 O\n0.352131 0.352131 0.912995 O\n0.647935 0.647935 0.139552 O\n0.352064 0.352064 0.639552 O\n0.045042 0.045042 0.100544 O\n0.552954 0.960736 0.063988 O\n",
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