# -*-shell-script-*-
#Potential data file for Iron (Fe-26):
d = 3.699579D0
A = 1.889846D0
beta = 1.8D0
c = 3.4D0
c0 = 1.2110601D0
c1 = -0.7510840D0
c2 = 0.1380773D0
#----Parameters for Modified version----
B = 0.D0
alpha =	3.9D0
b0 = 0.D0




#--------------------------------------------------------
#The following parameters can be calculated from the code.
#--------------------------------------------------------
#* Fitted parameters:
#			      .					
#Lattice constant 	a    (A)		2.8665	
#Cohesive energy		Utot (eV)		4.28
#  (The following are in the units of 100 GPa)
#Elastic constants:  
#			C11 			1.519
#			C12			0.862
#			C44			0.762
#			C'			0.3285
#			B			1.081
#			Pc			0.050
#
#* Calculated parameters:
#
#Vacancy formation energy (unrelaxed)	Ev (eV)		1.77	
#
#Surface energy				gama ( mJ/m )	1693


