A required task in the Actions box must be chosen in the GUI interface, in accordance to the descriptions in Sec. III B to Sec. III E. Next, all essential input parameters required for this task must be provided. For example, if KMCSimulation is chosen, one must provide: the work directory, the initial occupation, the original crystal structure, the fitted LCE model, the generated events, a value of ν * , and the simulation temperature. The documentation is available via a website () with details on all input parameters to run kMCpy 86 . By clicking the "Start" button, kMCpy will perform the selected task with the standard output of the simulation (similar to the command line output of Fig. and) displayed in a separate pop-up window.