Configuration Set

ANI-2x-B973c-def2mTZVP_num_atoms_38__CS_41amf7zz5h01_0



Name ANI-2x-B973c-def2mTZVP_num_atoms_38
Extended ID ANI-2x-B973c-def2mTZVP_num_atoms_38__CS_41amf7zz5h01_0
Description Configurations with 38 atoms from ANI-2x-B973c-def2mTZVP dataset
Elements C (31.19%)
Cl (0.0%)
H (52.07%)
N (6.36%)
O (10.11%)
S (0.27%)
Number of Configurations 22,092
Number of Atoms 839,496
Configurations
Datasets DS_gjr8gi1tb8wh_0
ColabFit ID CS_41amf7zz5h01_0
Files colabfitspec.json

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