# (1) Al re(1,1) = 2.86378 attrac(1,1) = 0.39558 repuls(1,1) = 0.09806 Cmin(1,1,1) = 1.00769 Cmax(1,1,1) = 2.31407 # rc = 5.0 delr = 0.1 augt1 = 1