# AgTaO3 MEAM potential from Medell. Simul. Mater. Sci. Eng. 21 055002 (2013) # Atom number specific for "Ag", "Ta" and "O" are 1, 2 and 3, respectively. # to be used with "library.meam" file providing single element parameters # Contact information: amartini@ucmerced.edu (Dr. Ashlie Martini) rc = 6.2 augt1 = 0 ialloy = 1 delta(1,2) = 0.100000 Ec(1,3) = 2.985 Ec(2,3) = 6.845 alpha(1,3) = 6.273689 alpha(2,3) = 5.084472 alpha(1,2) = 5.06 re(1,3) = 2.2741 re(2,3) = 2.20205 re(1,2) = 2.66 rho0(1)=0.14 rho0(2)=0.26 rho0(3)=1.00 lattce(1,2)='b1' lattce(1,3)='b1' lattce(2,3)='b1'