# 3d Lennard-Jones melt - MDI engine script

units           lj
atom_style      atomic

lattice         fcc 1.0
region          box block 0 1 0 1 0 1
create_box      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

thermo_style    custom step temp pe etotal press vol
thermo          1

mdi             engine