#Ec(1,1) = 3.58 nn2(1,1) = 1 re(1,1) = 2.9994028 attrac(1,1) = -0.2565517 repuls(1,1) = 0.3068012 Cmin(1,1,1) = 0.3272550 Cmax(1,1,1) = 3.3583709 # rc = 5.0 delr = 0.1 augt1 = 1