Figure : Root mean square deviations (RMSD) for the lowest energy structure of each monomer for a given method compared to a reference structure. For IsA and IA this was chosen to be DKH-CCSD(T)/TZVPP. RMSD was calculated using ArbAlign. The blue dashed line at 0.38 Å is added because this value has been used in our previous studies to evaluate uniqueness of cluster structures.