1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.69530307E-01 -0.75695342E-36 -0.54210109E-18 0.36591823E-18 -0.70714074E-03 -0.35373768E-02 -0.85380921E-18 0.81315163E-19 0.78933048E-02 -0.16234634E-01 -0.54210109E-18 -0.36591823E-18 0.77401179E-01 -0.33028210E-35 0.23852448E-17 -0.89107866E-18 0.57678728E-02 0.75775125E-02 0.85380921E-18 -0.81315163E-19 -0.70714074E-03 0.35373768E-02 0.23852448E-17 0.89107866E-18 0.38258040E-01 0.00000000E+00 -0.23852448E-17 0.89107866E-18 -0.70714074E-03 -0.35373768E-02 -0.85380921E-18 -0.81315163E-19 0.57678728E-02 -0.75775125E-02 -0.23852448E-17 -0.89107866E-18 0.77401179E-01 0.33028210E-35 0.54210109E-18 -0.36591823E-18 0.78933048E-02 0.16234634E-01 0.85380921E-18 0.81315163E-19 -0.70714074E-03 0.35373768E-02 0.54210109E-18 0.36591823E-18 0.69530307E-01 0.75695342E-36