in.comb.Si
e07d86e93fb8lammm-master

in.comb.Si
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			# Pure Si crystal, structure created by LAMMPS, qeq off

			units metal
			atom_style charge
			dimension 3
			boundary p p p

			lattice diamond 5.43
			region box block 0 4 0 4 0 4
			create_box 1 box
			create_atoms 1 box
			mass 1 29.0

			pair_style comb
			pair_coeff * * ffield.comb Si

			neighbor 0.5 bin
			neigh_modify every 1 delay 1 check yes

			#dump 1 all cfg 10 *.cfg id type xs ys zs q vx vy vz fx fy fz
			#dump_modify 1 append yes element Si

			fix 1 all nve
			timestep 0.00020

			thermo_style custom step temp etotal pe evdwl ecoul press vol lx ly lz xz
			thermo_modify norm yes
			velocity all create 10.1 2398378
			thermo 1
			run 10