Configuration Set
ANI-2x-wB97MV-def2TZVPP_num_atoms_57__CS_4rig36qhr5fa_0
| Name | ANI-2x-wB97MV-def2TZVPP_num_atoms_57 |
|---|---|
| Extended ID | ANI-2x-wB97MV-def2TZVPP_num_atoms_57__CS_4rig36qhr5fa_0 |
| Description | Configurations with 57 atoms from ANI-2x-wB97MV-def2TZVPP dataset |
| Elements |
C (29.82%) H (57.89%) N (5.26%) O (7.02%) |
| Number of Configurations | 1 |
| Number of Atoms | 57 |
| Configurations |
CO_610548530030674898 |
| Datasets |
DS_wxf8f3t3abul_0 |
| ColabFit ID | CS_4rig36qhr5fa_0 |
| Files | colabfitspec.json |
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