where the elements represent the number of transitions from state i to state j, or from state i to state i, observed at each time step. We further obtain the probabilities for an atom to transition to a specific atomic environment (or to remain in the same environment) after each time step (with a time increment of dt = 1 ns in our analyses) by normalizing each row to 1. In the figures presenting the transition matrices, unobserved transitions are denoted by blank squares. By employing these methodologies, we were able to perform a detailed analysis of the atomic environments and their temporal behavior in the simulated systems.