Configuration Set
ANI-2x-B973c-def2mTZVP_num_atoms_62__CS_2sy5k4xiq4a1_0
| Name | ANI-2x-B973c-def2mTZVP_num_atoms_62 |
|---|---|
| Extended ID | ANI-2x-B973c-def2mTZVP_num_atoms_62__CS_2sy5k4xiq4a1_0 |
| Description | Configurations with 62 atoms from ANI-2x-B973c-def2mTZVP dataset |
| Elements |
C (31.45%) H (59.68%) N (3.23%) O (5.65%) |
| Number of Configurations | 2 |
| Number of Atoms | 124 |
| Configurations |
CO_1500614044909265512 CO_1175486023936227021 |
| Datasets |
DS_gjr8gi1tb8wh_0 |
| ColabFit ID | CS_2sy5k4xiq4a1_0 |
| Files | colabfitspec.json |
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