Figure shows the comparison of g(r) values for structures corresponding to both the highest 10% and the lowest 10% of diffusivities. Accordingly, for the high and low diffusivity structures, significant peaks are observed for the structural features with negative and positive weights, respectively. From a physical perspective, such trends can be understood based on the cation transport model considered in this study. Specifically, the initial features with negative weights for PC 1 correspond to the narrow range of nanoparticle separations where cations at the surface of one particle can readily transport to the surface of a neighboring particle via diffusion. The initial features with positive weights for PC 1 reflect the relatively slower cation transport from one particle to another that occurs when adjacent particles are separated by a distance smaller than the optimal interparticle spacings.