# DATE: 2015-10-14 CONTRIBUTOR: Aidan Thompson, athomps@sandia.gov CITATION: Branicio, Rino, Gan and Tsuzuki, J. Phys Condensed Matter 21 (2009) 095002 # # Vashishta potential file for InP, Branicio, Rino, Gan and Tsuzuki, # J. Phys Condensed Matter 21 (2009) 095002 # # These entries are in LAMMPS "metal" units: # H = eV*Angstroms^eta; Zi, Zj = |e| (e = electronic charge); # lambda1, lambda4, rc, r0, gamma = Angstroms; # D = eV*Angstroms^4; W = eV*Angstroms^6; B = eV; # other quantities are unitless # element1 element2 element3 # H eta Zi Zj lambda1 D lambda4 # W rc B gamma r0 C cos(theta) In In In 273.584 7 -1.21 -1.21 4.5 0.0 2.75 0.0 6.0 0.0 0.0 0.0 0.0 0.0 P P P 1813.06 7 1.21 1.21 4.5 52.7067 2.75 0.0 6.0 0.0 0.0 0.0 0.0 -0.333333333333 In P P 4847.09 9 1.21 -1.21 4.5 26.3533 2.75 270.105 6.0 4.34967 1.0 3.55 7.0 -0.333333333333 P In In 4847.09 9 1.21 -1.21 4.5 26.3533 2.75 270.105 6.0 4.34967 1.0 3.55 7.0 -0.333333333333 In In P 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 In P In 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 P In P 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 P P In 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0