1 atom density matrix
    2  0.000000  0.000000  0.000000 L, Lx,Ly,Lz in global orthogonal system
  0.20998350E-01 -0.78731464E-37   -0.11180835E-18  0.10249099E-18
  0.42417856E-04 -0.11354826E-02   -0.20328791E-18 -0.67762636E-19
  0.19595845E-02 -0.41132804E-02
 -0.11180835E-18 -0.10249099E-18    0.22972462E-01  0.18893141E-38
  0.69117888E-18 -0.29857911E-18    0.12992542E-02  0.26310392E-02
  0.20328791E-18  0.67762636E-19
  0.42417856E-04  0.11354826E-02    0.69117888E-18  0.29857911E-18
  0.12362018E-01  0.00000000E+00   -0.69117888E-18  0.29857911E-18
  0.42417856E-04 -0.11354826E-02
 -0.20328791E-18  0.67762636E-19    0.12992542E-02 -0.26310392E-02
 -0.69117888E-18 -0.29857911E-18    0.22972462E-01 -0.18893141E-38
  0.11180835E-18 -0.10249099E-18
  0.19595845E-02  0.41132804E-02    0.20328791E-18 -0.67762636E-19
  0.42417856E-04  0.11354826E-02    0.11180835E-18  0.10249099E-18
  0.20998350E-01  0.78731464E-37