  In this paper, our goal is to design ABO3 crystal structure with simple
interatomic Lennard-Jones (LJ) potentials and without setting any initial
Bravais lattice and it is carried out by molecular dynamics (MD) simulation. In
the simulation, the equilibrium distances between atoms are determined by LJ
potentials. For the identification of the microstructure of simulated system,
we have calculated the distribution functions of both the angles between one
atom and its nearest neighbors and the distances between atoms and compared the
results with those of ideal lattices. The results have clearly shown that we
have successfully produced ABO3 crystal structure by MD simulation.
