diff --git a/potentials/GaN.tersoff b/potentials/GaN.tersoff deleted file mode 100644 index 3549a1d5a5..0000000000 --- a/potentials/GaN.tersoff +++ /dev/null @@ -1,31 +0,0 @@ -# DATE: 2007-10-22 CONTRIBUTOR: Xiaowang Zhou, xzhou @ sandia.gov CITATION: Nord, Albe, Erhart and Nordlund, J. Phys Condens Matter, 15, 5649 (2003) -# Tersoff parameters for various elements and mixtures -# multiple entries can be added to this file, LAMMPS reads the ones it needs -# these entries are in LAMMPS "metal" units: -# A,B = eV; lambda1,lambda2,lambda3 = 1/Angstroms; R,D = Angstroms -# other quantities are unitless - -# format of a single entry (one or more lines): -# element 1, element 2, element 3, -# m, gamma, lambda3, c, d, costheta0, n, beta, lambda2, B, R, D, lambda1, A - -# The following GaN potential is from J. Nord, K. Albe, P. Erhart -# and K. Nordlund, J. Phys.: Condens. Matter, 15, 5649(2003). -# This file is from Xiaowang Zhou, xzhou @ sandia.gov - - Ga Ga Ga 1.0 0.007874 1.846 1.918000 0.75000 -0.301300 1.0 1.0 - 1.44970 410.132 2.87 0.15 1.60916 535.199 - N N N 1.0 0.766120 0.000 0.178493 0.20172 -0.045238 1.0 1.0 - 2.38426 423.769 2.20 0.20 3.55779 1044.77 - Ga Ga N 1.0 0.001632 0.000 65.20700 2.82100 -0.518000 1.0 0.0 - 0.00000 0.00000 2.90 0.20 0.00000 0.00000 - Ga N N 1.0 0.001632 0.000 65.20700 2.82100 -0.518000 1.0 1.0 - 2.63906 3864.27 2.90 0.20 2.93516 6136.44 - N Ga Ga 1.0 0.001632 0.000 65.20700 2.82100 -0.518000 1.0 1.0 - 2.63906 3864.27 2.90 0.20 2.93516 6136.44 - N Ga N 1.0 0.766120 0.000 0.178493 0.20172 -0.045238 1.0 0.0 - 0.00000 0.00000 2.20 0.20 0.00000 0.00000 - N N Ga 1.0 0.001632 0.000 65.20700 2.82100 -0.518000 1.0 0.0 - 0.00000 0.00000 2.90 0.20 0.00000 0.00000 - Ga N Ga 1.0 0.007874 1.846 1.918000 0.75000 -0.301300 1.0 0.0 - 0.00000 0.00000 2.87 0.15 0.00000 0.00000