# 3d Lennard-Jones melt units lj atom_style atomic lattice fcc 0.8442 region box block 0 20 0 20 0 20 create_box 1 box create_atoms 1 box mass 1 1.0 velocity all create 3.0 87287 pair_style buck/omp 2.5 pair_coeff 1 1 -3.8 0.5 -0.3 2.5 neighbor 0.3 bin neigh_modify every 20 delay 0 check no fix 1 all nve thermo 50 run 250