Calculation of pair and triplet correlation functions for a <i>Lennard</i>-<i>Jones fluid</i> at ?*?1.41 and T*?25

On the basis of Monte Carlo simulations, configurations and pair triplet correlation functions for a Lennard-Jones fluid are reported over large range densities temperatures (0.002 ? ?* 1.41 0.45 T* 25, dimensionless). In total, data 27 615 ?*–T*-state points including 750 each state point used calculation functions. For configuration function, an approximation whole set is provided, which reproduces with high accuracy (3? < 0.0075). The results compared to Kirkwood superposition approximation. With exception low (<0.3), application seems not be proper choice, showing errors >20%. all simulations openly accessible can as reference future theoretical developments fluids and, especially, liquid state.