# 3d Lennard-Jones melt variable xx equal 10 variable yy equal 10 variable zz equal 10 units lj atom_style atomic lattice fcc 0.8442 region box block 0 ${xx} 0 ${yy} 0 ${zz} create_box 1 box create_atoms 1 box mass 1 1.0 velocity all create 1.44 87287 loop geom pair_style lj/cut 2.5 pair_coeff 1 1 1.0 1.0 2.5 neighbor 0.3 bin neigh_modify delay 0 every 20 check no fix 1 all nve run 100