1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.17713327E-01 -0.24564277E-37 -0.17618285E-18 0.11434945E-18 -0.13185004E-02 -0.13555739E-02 -0.19651164E-18 0.23716923E-19 -0.26063014E-03 -0.48969109E-02 -0.17618285E-18 -0.11434945E-18 0.22366812E-01 -0.10095216E-35 0.67085009E-18 -0.25072175E-18 0.17338928E-02 0.22925577E-02 0.19651164E-18 -0.23716923E-19 -0.13185004E-02 0.13555739E-02 0.67085009E-18 0.25072175E-18 0.10519660E-01 0.00000000E+00 -0.67085009E-18 0.25072175E-18 -0.13185004E-02 -0.13555739E-02 -0.19651164E-18 -0.23716923E-19 0.17338928E-02 -0.22925577E-02 -0.67085009E-18 -0.25072175E-18 0.22366812E-01 0.10095216E-35 0.17618285E-18 -0.11434945E-18 -0.26063014E-03 0.48969109E-02 0.19651164E-18 0.23716923E-19 -0.13185004E-02 0.13555739E-02 0.17618285E-18 0.11434945E-18 0.17713327E-01 0.24564277E-37