The general process of rf-kMC is described in Fig. , and an example of a standard output of both the initialization and the execution processes of kMC is shown in Fig. and. The KMC class is firstly initialized using a size specification of the simulation (super)cell, the initial occupations, the fitted model, the generated events, and a reference crystal structure. When the LCE model is used, information about clusters, orbits, and the KECIs are provided. kMCpy then "walks" through all available migration events and evaluates the occupations, correlation vectors, and hopping frequencies, given a simulation temperature and a ν * .