# problem setup for Monte Carlo relaxation of perturbed 2d hex lattice # same as example/MC/in.mc units lj atom_style atomic atom_modify map array sort 0 0.0 dimension 2 lattice hex 1.0 region box block 0 10 0 5 -0.5 0.5 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 pair_modify shift yes neighbor 0.3 bin neigh_modify delay 0 every 1 check yes