# 3d Lennard-Jones melt - MDI engine script variable x index 5 variable y index 5 variable z index 5 units lj atom_style atomic lattice fcc 0.8442 region box block 0 $x 0 $y 0 $z create_box 1 box create_atoms 1 box mass 1 1.0 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 1 check yes mdi engine