energy_conservation.meam.sw.in
5c19a0d788a7lammm-master

energy_conservation.meam.sw.in
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			# bulk Si lattice

			variable x index 1
			variable y index 1
			variable z index 1

			units metal
			atom_style atomic


			atom_style atomic
			lattice diamond 5.431
			region box block 0 20 0 20 0 20
			boundary p p p

			create_box 1 box
			create_atoms 1 box


			pair_style meam/sw/spline
			pair_coeff * * ../../potentials/Si.b.meam.sw.spline Si
			mass * 28.085

			velocity all create 300.0 376847 loop geom

			neighbor 1.0 bin
			neigh_modify every 1 delay 5 check yes

			fix 1 all nve

			thermo 1
			thermo_style custom step vol etotal press pxx pyy pxz
			thermo_modify format 2 %14.8f
			thermo_modify format 3 %14.8f
			thermo_modify format 4 %14.8f
			thermo_modify format 5 %14.8f
			thermo_modify format 6 %14.8f
			thermo_modify format 7 %14.8f


			timestep 0.002
			thermo 10

			run 20000