Configuration Set


Name QM-22_Ethanol
Extended ID QM-22_Ethanol__CS_tmz9y8d6zp66_0
Description Ethanol configurations from QM-22 dataset
Elements C (22.22%)
H (66.67%)
O (11.11%)
Number of Configurations 11,001
Number of Atoms 99,009
Datasets DS_qtjh8l700994_0
ColabFit ID CS_tmz9y8d6zp66_0
Files colabfitspec.json

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