# NiTi Crystal structure 
lattce(1,2) = 'b2' 
re(1,2) = 2.6120 
Ec(1,2) = 5.5300 
rc = 5.0 
delr = 0.1 
nn2(1,2) = 1 

alpha(1,2) = 4.6300 
rho0(1) = 1.5800 
rho0(2) = 1 

attrac(1,2) = 0.0500 
repuls(1,2) = 0.0000 

Ec(1,1) = 4.7900 
re(1,1) = 2.4900 
attrac(1,1) = 0.0500 
repuls(1,1) = 0.0000 
zbl(1,1) = 0 
nn2(1,1) = 1 
Cmin(1,1,1) = 0.8500 
Cmax(1,1,1) = 1.0000 

Ec(2,2) = 4.6500 
re(2,2) = 2.8500 
attrac(2,2) = 0.0000 
repuls(2,2) = 0.0500 
zbl(2,2) = 0 
nn2(2,2) = 1 
Cmin(2,2,2) = 0.6400 
Cmax(2,2,2) = 1.6000 

# Cmin screening parameter 
Cmax(1,1,2) = 1.2100 
Cmax(2,2,1) = 1.1000 
Cmax(1,2,1) = 3.3000 
Cmax(1,2,2) = 3.1000 

Cmax(2,1,1) = 3.3000 
Cmax(2,1,2) = 3.1000 

Cmin(1,1,2) = 0.5700 
Cmin(2,2,1) = 0.1400 
Cmin(1,2,1) = 2.1000 
Cmin(1,2,2) = 1.5000 

Cmin(2,1,1) = 2.1000 
Cmin(2,1,2) = 1.5000 

augt1 = 0 
ialloy = 2 
erose_form = 2 
zbl(1,2) = 0