Configuration Set
ANI-2x-wB97MV-def2TZVPP_num_atoms_62__CS_hzj50z6ty1ya_0
| Name | ANI-2x-wB97MV-def2TZVPP_num_atoms_62 |
|---|---|
| Extended ID | ANI-2x-wB97MV-def2TZVPP_num_atoms_62__CS_hzj50z6ty1ya_0 |
| Description | Configurations with 62 atoms from ANI-2x-wB97MV-def2TZVPP dataset |
| Elements |
C (31.45%) H (59.68%) N (3.23%) O (5.65%) |
| Number of Configurations | 2 |
| Number of Atoms | 124 |
| Configurations |
CO_9404226364254572003892639 CO_1000659885801951385655275 |
| Datasets |
DS_wxf8f3t3abul_0 |
| ColabFit ID | CS_hzj50z6ty1ya_0 |
| Files | colabfitspec.json |
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