units metal boundary p p p atom_style atomic read_data data.dat velocity all create 3000.0 10001 mom yes rot yes dist gaussian pair_style quip pair_coeff * * /home/potentialfiles/pair.pair thermo 10 timestep 0.001 dump 1 all custom 10 pos.dump id element xu yu zu dump 2 all custom 10 vel.dump id element vx vy vz restart 10000 restart.arch restart 5000 restart.5000 restart 1000 restart.1 restart.2 fix 1 all nvt temp 2000.0 2000.0 $(100.0*dt) run 15000 unfix 1 fix 2 all nvt temp 2000.0 3000.0 $(100.0*dt) run 2700 unfix 2