Configuration Set
ANI-2x-B973c-def2mTZVP_num_atoms_54__CS_79s1wvcxpili_0
| Name | ANI-2x-B973c-def2mTZVP_num_atoms_54 |
|---|---|
| Extended ID | ANI-2x-B973c-def2mTZVP_num_atoms_54__CS_79s1wvcxpili_0 |
| Description | Configurations with 54 atoms from ANI-2x-B973c-def2mTZVP dataset |
| Elements |
C (40.39%) H (44.87%) N (7.38%) O (7.36%) |
| Number of Configurations | 74 |
| Number of Atoms | 3,996 |
| Configurations | |
| Datasets |
DS_gjr8gi1tb8wh_0 |
| ColabFit ID | CS_79s1wvcxpili_0 |
| Files | colabfitspec.json |
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