rc = 4.5 delr = 0.1 augt1 = 0 erose_form = 2 ialloy = 2 zbl(1,1) = 0 nn2(1,1) = 1 attrac(1,1) = 0 repuls(1,1) = 0 Cmin(1,1,1) = 0.49 Cmax(1,1,1) = 2 Ec(1,1) = 4.41 re(1,1) = 2.5 zbl(2,2) = 0 nn2(2,2) = 1 attrac(2,2) = 0.05 repuls(2,2) = 0.05 Cmin(2,2,2) = 0.81 Cmax(2,2,2) = 2.8 Ec(2,2) = 4.45 re(2,2) = 2.49 zbl(3,3) = 0 nn2(3,3) = 1 attrac(3,3) = 0.02 repuls(3,3) = 0.1 Cmin(3,3,3) = 0.71 Cmax(3,3,3) = 2.8 Ec(3,3) = 4.1 re(3,3) = 2.495 zbl(4,4) = 0 nn2(4,4) = 1 attrac(4,4) = 0.05 repuls(4,4) = 0.05 Cmin(4,4,4) = 0.36 Cmax(4,4,4) = 2.8 Ec(4,4) = 4.29 re(4,4) = 2.48 zbl(5,5) = 0 nn2(5,5) = 1 attrac(5,5) = 0 repuls(5,5) = 0 Cmin(5,5,5) = 0.16 Cmax(5,5,5) = 2.8 Ec(5,5) = 2.9 re(5,5) = 2.53 rho0(1) = 1 rho0(2) = 1 rho0(3) = 1 rho0(4) = 1 rho0(5) = 1 zbl(1,2) = 0 nn2(1,2) = 1 Ec(1,2) = 4.31 re(1,2) = 2.43 alpha(1,2) = 5.19486200471772 attrac(1,2) = 0.025 repuls(1,2) = 0.025 Cmin(1,1,2) = 0.49 Cmin(2,2,1) = 0.81 Cmin(1,2,1) = 0.64 Cmin(1,2,2) = 0.64 Cmin(2,1,1) = 0.64 Cmin(2,1,2) = 0.64 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) = 'b2' zbl(1,3) = 0 nn2(1,3) = 1 Ec(1,3) = 4.175 re(1,3) = 2.44 alpha(1,3) = 5.38091822995035 attrac(1,3) = 0.01 repuls(1,3) = 0.05 Cmin(1,1,3) = 0.49 Cmin(3,3,1) = 0.73 Cmin(1,3,1) = 2 Cmin(1,3,3) = 2 Cmin(3,1,1) = 2 Cmin(3,1,3) = 2 Cmax(1,1,3) = 2.8 Cmax(3,3,1) = 2.8 Cmax(1,3,1) = 2.8 Cmax(1,3,3) = 2.8 Cmax(3,1,1) = 2.8 Cmax(3,1,3) = 2.8 lattce(1,3) = 'b2' zbl(1,4) = 0 nn2(1,4) = 1 Ec(1,4) = 4.44 re(1,4) = 2.4727 alpha(1,4) = 5.65470181034315 attrac(1,4) = 0.025 repuls(1,4) = 0.025 Cmin(1,1,4) = 0.1 Cmin(4,4,1) = 0.2 Cmin(1,4,1) = 0.2 Cmin(1,4,4) = 0.2 Cmin(4,1,1) = 0.2 Cmin(4,1,4) = 0.2 Cmax(1,1,4) = 1.44 Cmax(4,4,1) = 2.8 Cmax(1,4,1) = 2.8 Cmax(1,4,4) = 2.8 Cmax(4,1,1) = 2.8 Cmax(4,1,4) = 2.8 lattce(1,4) = 'b2' zbl(1,5) = 0 nn2(1,5) = 1 Ec(1,5) = 3.205 re(1,5) = 2.3391 alpha(1,5) = 5.07409051035855 attrac(1,5) = 0 repuls(1,5) = 0 Cmin(1,1,5) = 0.49 Cmin(5,5,1) = 0.16 Cmin(1,5,1) = 0.3 Cmin(1,5,5) = 0.3 Cmin(5,1,1) = 0.3 Cmin(5,1,5) = 0.3 Cmax(1,1,5) = 2.8 Cmax(5,5,1) = 2.8 Cmax(1,5,1) = 2.8 Cmax(1,5,5) = 2.8 Cmax(5,1,1) = 2.8 Cmax(5,1,5) = 2.8 lattce(1,5) = 'b1' zbl(2,3) = 0 nn2(2,3) = 1 Ec(2,3) = 4.3425 re(2,3) = 2.505 alpha(2,3) = 5.20198292011519 attrac(2,3) = 0.0425 repuls(2,3) = 0.0625 Cmin(2,2,3) = 0.81 Cmin(3,3,2) = 1 Cmin(2,3,2) = 0.759 Cmin(2,3,3) = 0.759 Cmin(3,2,2) = 0.759 Cmin(3,2,3) = 0.759 Cmax(2,2,3) = 2.8 Cmax(3,3,2) = 2.8 Cmax(2,3,2) = 2.8 Cmax(2,3,3) = 2.8 Cmax(3,2,2) = 2.8 Cmax(3,2,3) = 2.8 lattce(2,3) = 'l12' zbl(2,4) = 0 nn2(2,4) = 1 Ec(2,4) = 4.496 re(2,4) = 2.513 alpha(2,4) = 5.07820561614459 attrac(2,4) = 0.05 repuls(2,4) = 0.05 Cmin(2,2,4) = 0.63 Cmin(4,4,2) = 0.36 Cmin(2,4,2) = 0.5625 Cmin(2,4,4) = 0.5625 Cmin(4,2,2) = 0.5625 Cmin(4,2,4) = 0.5625 Cmax(2,2,4) = 1.44 Cmax(4,4,2) = 1.44 Cmax(2,4,2) = 2.8 Cmax(2,4,4) = 2.8 Cmax(4,2,2) = 2.8 Cmax(4,2,4) = 2.8 lattce(2,4) = 'l12' zbl(2,5) = 0 nn2(2,5) = 1 Ec(2,5) = 4.1848 re(2,5) = 2.518 alpha(2,5) = 5.14567955990985 attrac(2,5) = 0.0375 repuls(2,5) = 0.0375 Cmin(2,2,5) = 0.74 Cmin(5,5,2) = 0.98 Cmin(2,5,2) = 0.42 Cmin(2,5,5) = 0.42 Cmin(5,2,2) = 0.42 Cmin(5,2,5) = 0.42 Cmax(2,2,5) = 2.8 Cmax(5,5,2) = 2.8 Cmax(2,5,2) = 2.8 Cmax(2,5,5) = 2.8 Cmax(5,2,2) = 2.8 Cmax(5,2,5) = 2.8 lattce(2,5) = 'l12' zbl(3,4) = 0 nn2(3,4) = 1 Ec(3,4) = 4.098 re(3,4) = 2.4875 alpha(3,4) = 5.43004071782696 attrac(3,4) = 0.035 repuls(3,4) = 0.075 Cmin(3,3,4) = 0.71 Cmin(4,4,3) = 0.36 Cmin(3,4,3) = 0.52 Cmin(3,4,4) = 0.52 Cmin(4,3,3) = 0.52 Cmin(4,3,4) = 0.52 Cmax(3,3,4) = 2.8 Cmax(4,4,3) = 2.8 Cmax(3,4,3) = 2.8 Cmax(3,4,4) = 2.8 Cmax(4,3,3) = 2.8 Cmax(4,3,4) = 2.8 lattce(3,4) = 'b2' zbl(3,5) = 0 nn2(3,5) = 1 Ec(3,5) = 3.525 re(3,5) = 2.5125 alpha(3,5) = 5.61873556407952 attrac(3,5) = 0.01 repuls(3,5) = 0.05 Cmin(3,3,5) = 0.64 Cmin(5,5,3) = 1 Cmin(3,5,3) = 0.81 Cmin(3,5,5) = 0.81 Cmin(5,3,3) = 0.81 Cmin(5,3,5) = 0.81 Cmax(3,3,5) = 2.8 Cmax(5,5,3) = 2.8 Cmax(3,5,3) = 1.44 Cmax(3,5,5) = 2.8 Cmax(5,3,3) = 1.44 Cmax(5,3,5) = 2.8 lattce(3,5) = 'b2' zbl(4,5) = 0 nn2(4,5) = 1 Ec(4,5) = 3.595 re(4,5) = 2.499 alpha(4,5) = 5.38691529629357 attrac(4,5) = 0.025 repuls(4,5) = 0.025 Cmin(4,4,5) = 0.64 Cmin(5,5,4) = 0.64 Cmin(4,5,4) = 0.49 Cmin(4,5,5) = 0.49 Cmin(5,4,4) = 0.49 Cmin(5,4,5) = 0.49 Cmax(4,4,5) = 2.8 Cmax(5,5,4) = 2.8 Cmax(4,5,4) = 2.8 Cmax(4,5,5) = 2.8 Cmax(5,4,4) = 2.8 Cmax(5,4,5) = 2.8 lattce(4,5) = 'b2' Cmax(1,2,3) = 2.8 Cmax(1,3,2) = 2.8 Cmax(2,3,1) = 2.8 Cmin(1,2,3) = 0.64 Cmin(1,3,2) = 1.31 Cmin(2,3,1) = 1.31 Cmax(1,2,4) = 1.44 Cmax(1,4,2) = 2.8 Cmax(2,4,1) = 2.8 Cmin(1,2,4) = 0.31 Cmin(1,4,2) = 0.36 Cmin(2,4,1) = 0.36 Cmax(1,2,5) = 2.8 Cmax(1,5,2) = 2.8 Cmax(2,5,1) = 2.8 Cmin(1,2,5) = 0.61 Cmin(1,5,2) = 0.36 Cmin(2,5,1) = 0.36 Cmax(1,3,4) = 2.8 Cmax(1,4,3) = 2.8 Cmax(3,4,1) = 2.8 Cmin(1,3,4) = 0.87 Cmin(1,4,3) = 0.87 Cmin(3,4,1) = 0.42 Cmax(1,3,5) = 2.8 Cmax(1,5,3) = 2.06399203184089 Cmax(3,5,1) = 2.06399203184089 Cmin(1,3,5) = 0.56 Cmin(1,5,3) = 0.52 Cmin(3,5,1) = 0.52 Cmax(1,4,5) = 2.8 Cmax(1,5,4) = 2.8 Cmax(4,5,1) = 2.8 Cmin(1,4,5) = 0.56 Cmin(1,5,4) = 0.39 Cmin(4,5,1) = 0.39 Cmax(2,3,4) = 2.8 Cmax(2,4,3) = 2.8 Cmax(3,4,2) = 2.06 Cmin(2,3,4) = 0.657 Cmin(2,4,3) = 0.657 Cmin(3,4,2) = 0.64 Cmax(2,3,5) = 2.8 Cmax(2,5,3) = 2.06399203184089 Cmax(3,5,2) = 2.06399203184089 Cmin(2,3,5) = 0.69 Cmin(2,5,3) = 0.60 Cmin(3,5,2) = 0.60 Cmax(2,4,5) = 2.8 Cmax(2,5,4) = 2.8 Cmax(4,5,2) = 2.8 Cmin(2,4,5) = 0.69 Cmin(2,5,4) = 0.45 Cmin(4,5,2) = 0.45 Cmax(3,4,5) = 2.8 Cmax(3,5,4) = 2.06399203184089 Cmax(4,5,3) = 2.06399203184089 Cmin(3,4,5) = 0.64 Cmin(3,5,4) = 0.64 Cmin(4,5,3) = 0.64