Configuration Set


Name ANI-2x-B973c-def2mTZVP_num_atoms_47
Extended ID ANI-2x-B973c-def2mTZVP_num_atoms_47__CS_fey4s6l4nj7s_0
Description Configurations with 47 atoms from ANI-2x-B973c-def2mTZVP dataset
Elements C (33.49%)
H (49.61%)
N (9.62%)
O (7.26%)
S (0.03%)
Number of Configurations 6,683
Number of Atoms 314,101
Datasets DS_gjr8gi1tb8wh_0
ColabFit ID CS_fey4s6l4nj7s_0
Files colabfitspec.json

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