The diffusion coefficient contains a known dependence on the size of the periodic box. To estimate the intrinsic diffusion coefficient at infinite box sizes, the diffusion coefficient calculation is repeated for six box sizes, 25, 30, 40, 50, 60, and 90 Å. The final self-diffusion coefficient for each temperature point is then computed as an extrapolation of the inverse box size towards infinity. The shear viscosity is also obtained from the slope of the linear fit.