Configuration Set
ANI-2x-wB97X-631Gd_num_atoms_63__CS_gkep8axrznbv_0
| Name | ANI-2x-wB97X-631Gd_num_atoms_63 |
|---|---|
| Extended ID | ANI-2x-wB97X-631Gd_num_atoms_63__CS_gkep8axrznbv_0 |
| Description | Configurations with 63 atoms from ANI-2x-wB97X-631Gd dataset |
| Elements |
C (33.33%) H (55.56%) N (7.94%) O (3.17%) |
| Number of Configurations | 1 |
| Number of Atoms | 63 |
| Configurations |
CO_1047447784956640293715178 |
| Datasets |
DS_rde4chkdmm18_0 |
| ColabFit ID | CS_gkep8axrznbv_0 |
| Files | colabfitspec.json |
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