log log.s1_relax2 units metal atom_style atomic newton on boundary p p s read_data s1.dat pair_style eam pair_coeff * * Au_u3.eam neigh_modify every 1 delay 0 check yes thermo 100 thermo_style custom step temp pe lx ly lz pxx pyy pzz pxy pxz pyz thermo_modify flush yes dump 1 all custom 5000 s1_relax.dump.* id type x y z min_style cg min_modify line quadratic minimize 1e-100 1e-120 10000000 100000000 fix 1 all box/relax aniso 0 0 NULL vmax 0.001 minimize 1e-100 1e-120 10000000 100000000