			# ReaxFF benchmark: simulation of PETN crystal, replicated unit cell

			units real
			atom_style charge

			read_data data.reax

			#replicate 7 8 10
			replicate 7 8 5

			velocity all create 300.0 9999

			pair_style reax
			pair_coeff * * ffield.reax 1 2 3 4

			timestep 0.1
			fix 2 all nve

			thermo 10
			thermo_style custom step temp ke pe pxx pyy pzz etotal

			run 100

lammps/bench/POTENTIALS/in.reax
e30420fc464frunner

in.reax
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