The method of single point diamond turning is used to machine KDP crystal. A regression analysis is adopted to construct a prediction model for surface roughness and cutting force, which realizes the purposes of pre-machining design, prediction and control of surface roughness and cutting force. The prediction model is utilized to analyze the influences of feed, cutting speed and depth of cut on the surface roughness and cutting force. And the optimal cutting parameters of KDP crystal on such condition are acquired by optimum design. The optimum estimated values of surface roughness and cutting force are 7.369nm and 0.15N, respectively .Using the optimal cutting parameters, the surface roughness Ra, 7.927nm, and cutting force, 0.19N, are obatained.