#Al is first element and Sc second element

rc = 4.5
delr = 0.1
augt1 = 0
erose_form = 2
ialloy = 2

zbl(1,1) = 0
nn2(1,1) = 1
rho0(1) = 1.000
Ec(1,1) = 3.360
re(1,1) = 2.8600
alpha(1,1) = 4.68559768
repuls(1,1) = 0.05
attrac(1,1) = 0.05
Cmin(1,1,1) = 0.49
Cmax(1,1,1) = 2.80

Ec(2,2) = 3.89
Cmax(2,2,2) = 2.8
Cmin(2,2,2) = 2
lattce(2,2) = hcp
nn2(2,2) = 1
attrac(2,2) = 0
repuls(2,2) = 0
zbl(2,2) =0
alpha(2,2) = 4.49

####Al-Sc , taken from Al-Mg, but this will definately need modification

zbl(1,2) = 0
nn2(1,2) = 1

 # The L12 Al3Sc structure has 3 Al atoms and 1 Mg atom per 4 atoms. We may need some fitting its 0.75*Al_Ec+0.25*Sc_Ec-(-0.451)=3.9435eV/atom (Table one Asta) to start with

Ec(1,2) = 3.9435 


 # cube root of 17.24, L12 essentially fcc. Table 1 Asta paper experimental values 17.24-17.29
 
re(1,2) = 2.951


#### See alpha calculation from Asta et. al. alpha = sqrt(9*B*omega/Ec) [See Baskes Paper Eqn 3 , B = B: 0.99 Mbar = 0.99 * 0.6242 = 0.6180 eV/A^3 or 0.92*0.6242 = .57426, omega = 17.29 A^3, From Asta Table 1 , 1 Mbar = 0.6242 eV/A^3, alpha varies between 5.05 to 5.25. We will keep the alpha between those values, lets start with 5.15

alpha(1,2) = 5.15 
attrac(1,2) = 0.0375
repuls(1,2) = 0.0375
Cmin(1,1,2) = 0.49
Cmin(2,2,1) = 0.49
Cmin(1,2,1) = 0.36
Cmin(1,2,2) = 0.36
Cmin(2,1,1) = 0.36
Cmin(2,1,2) = 0.36
Cmax(1,1,2) = 2.8
Cmax(2,2,1) = 2.8
Cmax(1,2,1) = 2.8
Cmax(1,2,2) = 2.8
Cmax(2,1,1) = 2.8
Cmax(2,1,2) = 2.8
lattce(1,2) = 'l12'