1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.17713364E-01 -0.29318134E-37 -0.17618285E-18 0.11434945E-18 -0.13220456E-02 -0.13535242E-02 -0.19651164E-18 0.23716923E-19 -0.26070917E-03 -0.48966318E-02 -0.17618285E-18 -0.11434945E-18 0.22366622E-01 -0.10094160E-35 0.67085009E-18 -0.25072175E-18 0.17341603E-02 0.22925216E-02 0.19651164E-18 -0.23716923E-19 -0.13220456E-02 0.13535242E-02 0.67085009E-18 0.25072175E-18 0.10518886E-01 0.00000000E+00 -0.67085009E-18 0.25072175E-18 -0.13220456E-02 -0.13535242E-02 -0.19651164E-18 -0.23716923E-19 0.17341603E-02 -0.22925216E-02 -0.67085009E-18 -0.25072175E-18 0.22366622E-01 0.10094160E-35 0.17618285E-18 -0.11434945E-18 -0.26070917E-03 0.48966318E-02 0.19651164E-18 0.23716923E-19 -0.13220456E-02 0.13535242E-02 0.17618285E-18 0.11434945E-18 0.17713364E-01 0.29318134E-37