Based on 1 stOpt gobal optimization program，a new optimization method of atomic cluster structure is proposed by using embedded program language and dynamic library．The unbiased optimization programming of Lennard—Jones，Gupta and Sutton．Chen molecular clusters with three potential functions and the structure of diatomic alloy molecular clusters with Gupta potential are realized．The results show that：Fbr small size clusters，the method can quickly and accurately，it is easy to realize the best records published in the Cambridge cluster database，which indicates that the method is feasible and reliable to predict the cluster structure．Secondly，the efficiency of this method is signi6cantly lower than that of other professional cluster optimization programs for medium and large size clustells，and some results are precocious，which may be attributed to the Windows platform and the unbiased characteristics of the program．The methods for possible improvement are proposed．