rc = 4.6 delr = 0.1 augt1 = 0 erose_form = 2 ialloy = 2 #Ti zbl(1,1) = 0 nn2(1,1) = 1 attrac(1,1) = 0 repuls(1,1) = 0 Cmin(1,1,1) = 1 Cmax(1,1,1) = 1.44 Ec(1,1) = 4.87 re(1,1) = 2.92 #N zbl(2,2) = 0 nn2(2,2) = 0 attrac(2,2) = 0 repuls(2,2) = 0 Cmin(2,2,2) = 2 Cmax(2,2,2) = 2.8 Ec(2,2) = 4.88 re(2,2) = 1.1 #TiN zbl(1,2) = 0 nn2(1,2) = 1 rho0(1) = 1 rho0(2) = 18 Ec(1,2) = 6.615 re(1,2) = 2.121 alpha(1,2) = 5.09226184700865 attrac(1,2) = 0 repuls(1,2) = 0 Cmin(1,1,2) = 0.16 Cmin(2,2,1) = 0.09 Cmin(1,2,1) = 0.81 Cmin(1,2,2) = 1.45710678118655 Cmin(2,1,1) = 0.81 Cmin(2,1,2) = 1.45710678118655 Cmax(1,1,2) = 2.8 Cmax(2,2,1) = 2.8 Cmax(1,2,1) = 1.44 Cmax(1,2,2) = 2.8 Cmax(2,1,1) = 1.44 Cmax(2,1,2) = 2.8 lattce(1,2) = 'b1'