# 3d Lennard-Jones melt units lj atom_style atomic lattice fcc 0.8442 region box block 0 10 0 10 0 10 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 fix 2 all deform 1 x scale 1.1 thermo_style custom step temp epair press lx thermo 10 restart 50 tmp.restart run 100