in.tersoff
c86b0e2f120flammm-master-deprecated

in.tersoff
View Options

			# bulk Si via Tersoff

			units metal
			atom_style atomic

			lattice diamond 5.431
			region box block 0 20 0 20 0 10
			create_box 1 box
			create_atoms 1 box

			pair_style tersoff
			pair_coeff * * Si.tersoff Si
			mass 1 28.06

			velocity all create 1000.0 376847 loop geom

			neighbor 1.0 bin
			neigh_modify delay 5 every 1

			fix 1 all nve

			timestep 0.001
			thermo 10

			run 100