# Fe3C (Cementite) library MEAM file used in Phys. Rev. B 89, 094102 (2014) # Fe potential referenced from J. Phys.: Condens. Matter 24 225404 # C potential referenced from Phys. Rev. B 81, 104103 # Used together with "Fe3C.meam" for Fe-C alloy potential parameters # elt lat z ielement atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar 'Fe' 'bcc' 8 26 55.847000 5.027000 3.800000 2.000000 0.900000 0.000000 2.851000 4.280000 0.585000 1.000000 -0.800000 12.300000 2.000000 1.000000 0.000000 'C' 'dia' 4. 6 12.0111 4.38 4.26 5.00 3.20 3.980 3.567 7.37 1.490 1.0 7.5 1.04 -1.01 1.0 0