1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.24768067E-01 -0.15321647E-36 -0.21684043E-18 0.15077186E-18 -0.11329722E-02 -0.16700332E-02 -0.23039296E-18 -0.27105054E-19 0.29144493E-03 -0.59975508E-02 -0.21684043E-18 -0.15077186E-18 0.29490711E-01 -0.31422544E-35 0.85380921E-18 -0.37947076E-18 0.21765767E-02 0.31952533E-02 0.23039296E-18 0.27105054E-19 -0.11329722E-02 0.16700332E-02 0.85380921E-18 0.37947076E-18 0.14638972E-01 0.00000000E+00 -0.85380921E-18 0.37947076E-18 -0.11329722E-02 -0.16700332E-02 -0.23039296E-18 0.27105054E-19 0.21765767E-02 -0.31952533E-02 -0.85380921E-18 -0.37947076E-18 0.29490711E-01 0.31422544E-35 0.21684043E-18 -0.15077186E-18 0.29144493E-03 0.59975508E-02 0.23039296E-18 -0.27105054E-19 -0.11329722E-02 0.16700332E-02 0.21684043E-18 0.15077186E-18 0.24768067E-01 0.15321647E-36