Configuration Set


Name NequIP-NC-2022-Cu-formate
Extended ID NequIP-NC-2022-Cu-formate__CS_tgj1j5vv0vkc_0
Description Cu-formate configurations, Cu <110> undergoing dehydrogenation decomposition, from NequIP-NC-2022 dataset
Elements C (1.92%)
Cu (92.31%)
H (1.92%)
O (3.85%)
Number of Configurations 6,823
Number of Atoms 354,796
Datasets DS_sipksdvyrxsf_0
ColabFit ID CS_tgj1j5vv0vkc_0
Files colabfitspec.json

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