In the paper, the deformation behavior of bimetal specimens consisting of BCC and FCC grains is studied by the molecular dynamics method. Analysis is made of the influence of crystallographic orientation of grains on uniaxial compression and tension. Investigation is given to α-iron grains interfacing with copper or nickel. The choice of FCC metals is governed by different levels of specific stacking fault energy. The results obtained show that deformation of bicrystals can develop either in one or both grains. This is determined not only by the material and its strength properties, but also by the crystallographic anisotropy of these properties with respect to the loading direction. The paper also analyses the influence of primary contact on the change in material properties with repeated contact. The latter is important for building computer models on a larger scale.