Configuration Set
reactive_hydrogen_ACS_2023_Cu__CS_g9ga2tdrzo57_0
| Name | reactive_hydrogen_ACS_2023_Cu |
|---|---|
| Extended ID | reactive_hydrogen_ACS_2023_Cu__CS_g9ga2tdrzo57_0 |
| Description | Configurations containing just Cu from reactive_hydrogen_ACS_2023 dataset |
| Elements |
Cu (100.0%) |
| Number of Configurations | 12 |
| Number of Atoms | 648 |
| Configurations |
CO_328543297461549812 CO_520434008441686111 CO_1962721219310367662 CO_958605785033504702 CO_1224860976835474640 CO_2173324748828951303 CO_1483065177323839174 CO_1518126962753400403 CO_1850279821272932045 CO_1835919246448750012 CO_373884404902198796 CO_898756369138188497 |
| Datasets |
DS_apdpxdjx082p_0 |
| ColabFit ID | CS_g9ga2tdrzo57_0 |
| Files | colabfitspec.json |
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