was added to Eq. 1 where the coefficient A is a function of the error in pressure as proposed by Wang et al and β is a damping coefficient. This term adds a constant force between particles within the cutoff and the update goes to zero as the simulated pressure converges to the atomistic reference. The Boltzmann inverted RDFs from the atomistic simulations were used to initialize the IBI process. The analogous IBI parameterization procedure for bonded potentials and additional explanatory equations are provided in detail in Sections S2-S3.