Sourse: G.J. Ackland, "Theoretical study of titanium surfaces and defects with a new many-body potential," Phil. Mag. A 66, 917-932 (1992). Contact information: G.J.Ackland@ed.ac.uk Monday, Nov 23, 2009 The potential was taken from hcp (in C:\SIMULATION.MD\LAMMPS\Graeme\Ti) 1 Ti 10000 5.00000000000000E-0002 10000 5.09113442000000E-0004 5.09113442000000E+0000 22 4.78670000000000E+0001 2.96659800000000E+0000 hcp 0.00000000000000E-0000 -2.23606797749979E-0001 -3.16227766016838E-0001 -3.87298334620742E-0001 -4.47213595499958E-0001 -5.00000000000000E-0001 -5.47722557505166E-0001 -5.91607978309962E-0001 -6.32455532033676E-0001 -6.70820393249937E-0001 -7.07106781186548E-0001 -7.41619848709566E-0001 -7.74596669241483E-0001 -8.06225774829855E-0001 -8.36660026534076E-0001 -8.66025403784439E-0001 -8.94427190999916E-0001 -9.21954445729289E-0001 -9.48683298050514E-0001 -9.74679434480896E-0001 -1.00000000000000E+0000 -1.02469507659596E+0000 -1.04880884817015E+0000 -1.07238052947636E+0000 -1.09544511501033E+0000 -1.11803398874989E+0000 -1.14017542509914E+0000 -1.16189500386223E+0000 -1.18321595661992E+0000 -1.20415945787923E+0000 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