“…It may therefore be expected that studies that did not minimize GB energy with respect to number of atoms may have inadvertently generated high-energy GBs [32,62]. However, in some cases, the lowest energy GB structures might not be the ones of interest, e.g., when investigating far from equilibrium states [35,87,88]. Sometimes, the atomic-level state of a GB might not even be relevant, e.g., for determining the distribution of intrinsic defects [89,90].…”