This dataset contains the output XYZ structure files from Grand Canonical Monte Carlo (GCMC) sampling of atomic S and O adsorption on Ni(111), calculated using the SuSMoST software and parameterised u
This dataset contains the output XYZ structure files from Grand Canonical Monte Carlo (GCMC) sampling of atomic S and O adsorption on Ni(111), calculated using the SuSMoST software and parameterised u