Configuration Set
ANI-2x-wB97X-631Gd_num_atoms_58__CS_7ctzsp56x2l9_0
| Name | ANI-2x-wB97X-631Gd_num_atoms_58 |
|---|---|
| Extended ID | ANI-2x-wB97X-631Gd_num_atoms_58__CS_7ctzsp56x2l9_0 |
| Description | Configurations with 58 atoms from ANI-2x-wB97X-631Gd dataset |
| Elements |
C (32.76%) H (55.17%) N (6.9%) O (5.17%) |
| Number of Configurations | 2 |
| Number of Atoms | 116 |
| Configurations |
CO_262527824880547201 CO_1365757186868859521 |
| Datasets |
DS_rde4chkdmm18_0 |
| ColabFit ID | CS_7ctzsp56x2l9_0 |
| Files | colabfitspec.json |
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