Configuration Set
ANI-2x-wB97MV-def2TZVPP_num_atoms_54__CS_ssrjrzw4y9jw_0
| Name | ANI-2x-wB97MV-def2TZVPP_num_atoms_54 |
|---|---|
| Extended ID | ANI-2x-wB97MV-def2TZVPP_num_atoms_54__CS_ssrjrzw4y9jw_0 |
| Description | Configurations with 54 atoms from ANI-2x-wB97MV-def2TZVPP 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_wxf8f3t3abul_0 |
| ColabFit ID | CS_ssrjrzw4y9jw_0 |
| Files | colabfitspec.json |
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