Computationally, the intensive part of kMCpy is evaluating the correlation vector for each Event. Therefore, the size of the basis set (i.e., number of clusters and orbits), the total number events, and the coupling strengths between different events (see Sec. A) can crucially influence the determination of the correlation vector and the computational performance. For example, the basis-set size controls the computational cost of updating the correlation vector of a single event, whereas the total number of unique events and the coupling strengths between events set the total number of events to be updated during each kMC step. These quantities are usually coupled with each other, i.e., larger cutoff radii usually lead to larger basis sets, and in turn, stronger coupling between events, resulting in an increased computational cost of the kMC run.