Configuration Set

ANI-2x-wB97X-631Gd_num_atoms_32__CS_l47ygsk57la9_0




Name ANI-2x-wB97X-631Gd_num_atoms_32
Extended ID ANI-2x-wB97X-631Gd_num_atoms_32__CS_l47ygsk57la9_0
Description Configurations with 32 atoms from ANI-2x-wB97X-631Gd dataset
Elements C (30.8%)
Cl (0.02%)
F (0.01%)
H (55.69%)
N (5.22%)
O (7.62%)
S (0.63%)
Number of Configurations 19,199
Number of Atoms 614,368
Configurations