Configuration Set

ANI-2x-wB97X-631Gd_num_atoms_35__CS_iv7hgr60t44n_0




Name ANI-2x-wB97X-631Gd_num_atoms_35
Extended ID ANI-2x-wB97X-631Gd_num_atoms_35__CS_iv7hgr60t44n_0
Description Configurations with 35 atoms from ANI-2x-wB97X-631Gd dataset
Elements C (29.96%)
Cl (0.0%)
H (53.03%)
N (5.72%)
O (10.66%)
S (0.63%)
Number of Configurations 16,383
Number of Atoms 573,405
Configurations