Configuration Set
COHInPt_schaaf_2023_dft-intermediates__CS_wqzuqhngwymc_0
| Name | COHInPt_schaaf_2023_dft-intermediates |
|---|---|
| Extended ID | COHInPt_schaaf_2023_dft-intermediates__CS_wqzuqhngwymc_0 |
| Description | dft-intermediates molecular dynamics data from COHInPt_schaaf_2023 set |
| Elements |
C (1.09%) H (2.49%) In (38.17%) O (58.25%) |
| Number of Configurations | 12 |
| Number of Atoms | 1,006 |
| Configurations |
CO_241034303653747752 CO_2288362336465555771 CO_148604365196312632 CO_280464511283502239 CO_242209382203979646 CO_2247017421703018919 CO_1733034417938918509 CO_859498476676056151 CO_2158470129580236646 CO_1277062824076944675 CO_377351159767096098 CO_440271205547334085 |
| Datasets |
DS_l9f0rjjqfd67_0 |
| ColabFit ID | CS_wqzuqhngwymc_0 |
| Files | colabfitspec.json |
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