Configuration Set


Name QM-22_Methane
Extended ID QM-22_Methane__CS_dhet4aifusu2_0
Description Methane configurations from QM-22 dataset
Elements C (20.0%)
H (80.0%)
Number of Configurations 9,000
Number of Atoms 45,000
Datasets DS_qtjh8l700994_0
ColabFit ID CS_dhet4aifusu2_0
Files colabfitspec.json

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