1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.12000344E-01 0.55621779E-36 -0.11519648E-18 0.69456702E-19 -0.76027705E-03 -0.89757171E-03 -0.11837285E-18 0.27105054E-19 -0.12962085E-03 -0.31650655E-02 -0.11519648E-18 -0.69456702E-19 0.14894870E-01 -0.24172648E-36 0.45062153E-18 -0.16940659E-18 0.11344250E-02 0.15573931E-02 0.11837285E-18 -0.27105054E-19 -0.76027705E-03 0.89757171E-03 0.45062153E-18 0.16940659E-18 0.71437234E-02 0.00000000E+00 -0.45062153E-18 0.16940659E-18 -0.76027705E-03 -0.89757171E-03 -0.11837285E-18 -0.27105054E-19 0.11344250E-02 -0.15573931E-02 -0.45062153E-18 -0.16940659E-18 0.14894870E-01 0.24172648E-36 0.11519648E-18 -0.69456702E-19 -0.12962085E-03 0.31650655E-02 0.11837285E-18 0.27105054E-19 -0.76027705E-03 0.89757171E-03 0.11519648E-18 0.69456702E-19 0.12000344E-01 -0.55621779E-36