Configuration Set
MISPR-BDE__CS_ssjua1yod4bq_0
| Name | MISPR-BDE |
|---|---|
| Extended ID | MISPR-BDE__CS_ssjua1yod4bq_0 |
| Description | Configurations from MISPR dataset produced by the MISPR bond dissociation energy (BDE) workflow |
| Elements |
C (29.02%) F (2.45%) H (61.19%) Cl (1.05%) S (0.7%) O (3.15%) N (2.45%) |
| Number of Configurations | 28 |
| Number of Atoms | 286 |
| Configurations | |
| Datasets |
DS_sq9lx2ya2zsh_0 |
| ColabFit ID | CS_ssjua1yod4bq_0 |
| Files | colabfitspec.json |
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