units metal atom_style full boundary f p f newton on processors 1 1 1 dimension 3 read_data crackarm30.graphene pair_style airebo 3.0 pair_coeff * * CH.airebo C timestep 0.0000005 fix 1 all npt temp 300.0 300.0 0.5 y 0 0 0.5 thermo 20 compute 1 all stress/atom NULL compute 2 all pe/atom pair bond compute 3 all reduce sum c_1[1] c_1[2] c_1[3] thermo_style custom step temp pe ke etotal press lx ly pxx pyy c_3[1] c_3[2] c_3[3] run 60000000 unfix 1 fix 1 all nvt temp 300 300 0.05 fix 2 all ave/atom 1 1000 1000 c_1[1] c_1[2] c_1[3] c_2 fx fy fz dump 1 all custom 1000 dump.new.* id type x y z vx vy vz c_1[1] c_1[2] c_1[3] c_2 f_2[1] f_2[2] f_2[3] f_2[4] f_2[5] f_2[6] f_2[7] dump 2 all xyz 10000 dump.graphene.*.xyz variable srate equal 1.0e9 variable srate1 equal "v_srate/1.0e12" fix 3 all deform 1 y erate ${srate1} units box remap x run 600000000