A single kMC pass includes repeating the event proposal, update event, and update tracker steps the same number of times as the number of mobile ions in the initialized structure. Generally, a large number of kMC passes are required to accurately predict transport properties. For example, Deng et al., undertook ≈ 10 6 kMC passes to simulate Na-transport in superionic conductor over a millisecond scale . After running a sufficiently large number of kMC passes, properties, such as, D J , D * , H R , and f are estimated. Thus, a collection of kMC passes for a single initial structure is referred to as a kMC run. To get a better estimate of the transport properties at a given composition, kMCpy also calculates the properties as the initial structure is varied j times (i.e., j kMC runs). This ensures that the transport properties calculated represent the statistical estimate that is observed in experiments better.