Configuration Set
ANI-2x-wB97MV-def2TZVPP_num_atoms_56__CS_s3s3vy8krm34_0
| Name | ANI-2x-wB97MV-def2TZVPP_num_atoms_56 |
|---|---|
| Extended ID | ANI-2x-wB97MV-def2TZVPP_num_atoms_56__CS_s3s3vy8krm34_0 |
| Description | Configurations with 56 atoms from ANI-2x-wB97MV-def2TZVPP dataset |
| Elements |
C (32.14%) Cl (1.79%) H (66.07%) |
| Number of Configurations | 35 |
| Number of Atoms | 1,960 |
| Configurations | |
| Datasets |
DS_wxf8f3t3abul_0 |
| ColabFit ID | CS_s3s3vy8krm34_0 |
| Files | colabfitspec.json |
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