in.intel.tersoff
977a7a5461f7lammps-icms

in.intel.tersoff
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			# bulk Si via Tersoff
			package intel 1 mode mixed balance $b
			package omp 0
			suffix $s

			variable x index 2
			variable y index 2
			variable z index 4

			variable xx equal 20*$x
			variable yy equal 20*$y
			variable zz equal 10*$z

			units metal
			atom_style atomic

			lattice diamond 5.431
			region box block 0 ${xx} 0 ${yy} 0 ${zz}
			create_box 1 box
			create_atoms 1 box

			pair_style tersoff
			pair_coeff * * ../../../bench/POTENTIALS/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

			run 10
			run 100