InP.vashishta
a2b4a794d9a2lammm-master-deprecated

InP.vashishta
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			# 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 = eVAngstroms^4; W = eVAngstroms^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