“…Other methods evaluate the interface free energy and its anisotropy from molecular dynamics simulations [8,9,10,11,12] using empirical model potentials such as the embedded atom potential. Whether experiment [5,6,7] or atomistic simulation [8,9,10,11,12], the anisotropic interface free energy data are usually fitted by the cubic harmonic expansion series introduced by Fehlner and Vosko [13]. Often only a few low index orientations are considered (typically {100}, {110}, and {111}), and a second-order cubic harmonic expansion is employed [5,6,7,8,9].…”