1# DATE: 2015-10-14 CONTRIBUTOR: Aidan Thompson, athomps@sandia.gov CITATION: Branicio, Rino, Gan and Tsuzuki, J. Phys Condensed Matter 21 (2009) 095002
2#
3# Vashishta potential file for InP, Branicio, Rino, Gan and Tsuzuki,
4# J. Phys Condensed Matter 21 (2009) 095002
5#
6# These entries are in LAMMPS "metal" units:
7#   H = eV*Angstroms^eta; Zi, Zj = |e| (e = electronic charge);
8#   lambda1, lambda4, rc, r0, gamma = Angstroms;
9#   D = eV*Angstroms^4; W = eV*Angstroms^6; B = eV;
10#   other quantities are unitless
11
12# element1  element2  element3
13#           H  eta  Zi  Zj  lambda1  D  lambda4
14#           W  rc  B  gamma  r0  C  cos(theta)
15
16In  In  In  273.584  7  -1.21  -1.21  4.5  0.0  2.75
17            0.0  6.0  0.0  0.0  0.0  0.0  0.0
18
19P   P   P   1813.06  7  1.21  1.21  4.5  52.7067  2.75
20            0.0  6.0  0.0  0.0  0.0  0.0  -0.333333333333
21
22In  P   P   4847.09  9  1.21  -1.21  4.5  26.3533  2.75
23            270.105  6.0  4.34967  1.0  3.55  7.0  -0.333333333333
24
25P   In  In  4847.09  9  1.21  -1.21  4.5  26.3533  2.75
26            270.105  6.0  4.34967  1.0  3.55  7.0  -0.333333333333
27
28In  In  P   0.0  0.0  0.0  0.0  0.0  0.0  0.0
29            0.0  0.0  0.0  0.0  0.0  0.0  0.0
30
31In  P   In  0.0  0.0  0.0  0.0  0.0  0.0  0.0
32            0.0  0.0  0.0  0.0  0.0  0.0  0.0
33
34P   In  P   0.0  0.0  0.0  0.0  0.0  0.0  0.0
35            0.0  0.0  0.0  0.0  0.0  0.0  0.0
36
37P   P   In  0.0  0.0  0.0  0.0  0.0  0.0  0.0
38            0.0  0.0  0.0  0.0  0.0  0.0  0.0
39