1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.24768100E-01 -0.15944180E-36 -0.18973538E-18 0.15077186E-18 -0.11378726E-02 -0.16673761E-02 -0.23039296E-18 -0.27105054E-19 0.29149711E-03 -0.59975681E-02 -0.18973538E-18 -0.15077186E-18 0.29490428E-01 -0.31420530E-35 0.85380921E-18 -0.37947076E-18 0.21769899E-02 0.31951701E-02 0.23039296E-18 0.27105054E-19 -0.11378726E-02 0.16673761E-02 0.85380921E-18 0.37947076E-18 0.14637530E-01 0.00000000E+00 -0.85380921E-18 0.37947076E-18 -0.11378726E-02 -0.16673761E-02 -0.23039296E-18 0.27105054E-19 0.21769899E-02 -0.31951701E-02 -0.85380921E-18 -0.37947076E-18 0.29490428E-01 0.31420530E-35 0.18973538E-18 -0.15077186E-18 0.29149711E-03 0.59975681E-02 0.23039296E-18 -0.27105054E-19 -0.11378726E-02 0.16673761E-02 0.18973538E-18 0.15077186E-18 0.24768100E-01 0.15944180E-36