Configuration Set

ANI-2x-B973c-def2mTZVP_num_atoms_52__CS_wrtv89opnqqn_0




Name ANI-2x-B973c-def2mTZVP_num_atoms_52
Extended ID ANI-2x-B973c-def2mTZVP_num_atoms_52__CS_wrtv89opnqqn_0
Description Configurations with 52 atoms from ANI-2x-B973c-def2mTZVP dataset
Elements C (23.52%)
H (53.74%)
N (15.02%)
O (7.72%)
Number of Configurations 74
Number of Atoms 3,848
Configurations CO_7745478151239464313841115
Datasets DS_gjr8gi1tb8wh_0
ColabFit ID CS_wrtv89opnqqn_0
Files colabfitspec.json

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