Configuration Set


Name ANI-2x-B973c-def2mTZVP_num_atoms_50
Extended ID ANI-2x-B973c-def2mTZVP_num_atoms_50__CS_i4va95s309u0_0
Description Configurations with 50 atoms from ANI-2x-B973c-def2mTZVP dataset
Elements C (33.27%)
Cl (0.11%)
H (50.02%)
N (10.83%)
O (5.76%)
Number of Configurations 2,808
Number of Atoms 140,400
Datasets DS_gjr8gi1tb8wh_0
ColabFit ID CS_i4va95s309u0_0
Files colabfitspec.json

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