Configuration Set
ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_63__CS_yrguk0z7m678_0
| Name | ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_63 |
|---|---|
| Extended ID | ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_63__CS_yrguk0z7m678_0 |
| Description | Configurations with 63 atoms from ANI-2x-wB97MD3BJ-def2TZVPP dataset |
| Elements |
C (33.33%) H (55.56%) N (7.94%) O (3.17%) |
| Number of Configurations | 1 |
| Number of Atoms | 63 |
| Configurations |
CO_1074280549067459281 |
| Datasets |
DS_yxeu6us2i6dh_0 |
| ColabFit ID | CS_yrguk0z7m678_0 |
| Files | colabfitspec.json |
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