An eighty-seven molecule system is used to simulate the C60 crystal. The binding energy of the system is calculated for various relative orientations of the C60 molecules. It is found that the ground state is not a degenerate state with respect to the orientations between molecules. There is an energy minimum when the relative orientation of nearest neighbor C60 molecules take an angle of 29°, which may refer to the ordered state of simple cubic phase at very low temperatures.