These canonical simulations done at the same temperature of 350K lead to the formation of detached Pt 6 O 8 species, previously reported in studies using similar forcefields. We report that the frequency of these detachment events is highly dependent on the oxygen fractional occupancy, with higher occupancies resulting in more numerous detachments. To investigate the plausibility of these species we then performed geometry optimization with the recent MACE-MP-0 forcefield. The forcefield yield structures that do not contain these species, actively trying to systematically reincorporate the detached Pt 6 O 8 species into the nanoparticle.