Configuration Set
ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_58__CS_pfv1nf4h27wt_0
| Name | ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_58 |
|---|---|
| Extended ID | ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_58__CS_pfv1nf4h27wt_0 |
| Description | Configurations with 58 atoms from ANI-2x-wB97MD3BJ-def2TZVPP dataset |
| Elements |
C (32.76%) H (55.17%) N (6.9%) O (5.17%) |
| Number of Configurations | 2 |
| Number of Atoms | 116 |
| Configurations |
CO_535515703746990710 CO_105253394757633467 |
| Datasets |
DS_yxeu6us2i6dh_0 |
| ColabFit ID | CS_pfv1nf4h27wt_0 |
| Files | colabfitspec.json |
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