			# Ti alpha phase (hcp)

			units metal
			boundary p p p

			atom_style atomic
			lattice custom 2.93093 a1 0.5 -0.866025 0 a2 0.5 0.866025 0 a3 0 0 1.596 basis 0.333333 0.666666 0.25 basis 0.666666 0.333333 0.75
			region box block 0 1 0 1 0 1
			create_box 1 box
			create_atoms 1 box

			pair_style meam/sw/spline
			pair_coeff * * ../../potentials/Ti.meam.sw.spline Ti
			mass * 47.90

			variable cohesive_energy equal pe/atoms
			run 0

			print "===================================================="
			print "Calculated cohesive energy: ${cohesive_energy} eV/atom"
			print "Reference cohesive energy: -4.831 eV/atom"
			print "===================================================="

			#dump 1 all custom 1 alpha.dump id type x y z fx fy fz
			#run 0

lammps/examples/USER/misc/meam_sw_spline/Ti/alpha.in
5c19a0d788a7lammm-master-deprecated

alpha.in
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