units metal dimension 2 atom_style atomic boundary p p p read_data initial.txt pair_style lj96/cut 6.0 pair_coeff 1 1 0.452510307537823 2.324933918540124 5.112 pair_modify shift yes pair_coeff 1 2 0.599150487713543 2.601363907981857 5.6 pair_modify shift yes pair_coeff 2 2 0.752500878127781 2.870475237138771 6.0 pair_modify shift yes neighbor 0.3 bin neigh_modify delay 0 every 1 check yes fix 2 all enforce2d fix 3 all box/relax x 0.0 y 0.0 xy 0.0 vmax 1.0e-4 nreset 100 dump 1 all custom 10000000 min.dump id type x y z ix iy iz thermo_style custom step pe pxx pyy pxy fnorm fmax thermo 1000000 minimize 1.0e-7 0.0001 1000000 10000000 restart 1000000 test.restart fix 3 all box/relax x 0.0 y 0.0 xy 0.0 vmax 1.0e-8 nreset 100 min_modify line quadratic minimize 0.0 1.0e-6 20000000 200000000