1 atom density matrix
    2  0.000000  0.000000  0.000000 L, Lx,Ly,Lz in global orthogonal system
  0.74590051E-01 -0.21572648E-35   -0.43368087E-18  0.45400966E-18
 -0.17541531E-02 -0.41517737E-02   -0.70473141E-18 -0.13552527E-18
  0.50810342E-02 -0.16754544E-01
 -0.43368087E-18 -0.45400966E-18    0.84050726E-01 -0.31510905E-35
  0.25478751E-17 -0.10537090E-17    0.60307637E-02  0.88044590E-02
  0.70473141E-18  0.13552527E-18
 -0.17541531E-02  0.41517737E-02    0.25478751E-17  0.10537090E-17
  0.42627794E-01  0.00000000E+00   -0.25478751E-17  0.10537090E-17
 -0.17541531E-02 -0.41517737E-02
 -0.70473141E-18  0.13552527E-18    0.60307637E-02 -0.88044590E-02
 -0.25478751E-17 -0.10537090E-17    0.84050726E-01  0.31510905E-35
  0.43368087E-18 -0.45400966E-18
  0.50810342E-02  0.16754544E-01    0.70473141E-18 -0.13552527E-18
 -0.17541531E-02  0.41517737E-02    0.43368087E-18  0.45400966E-18
  0.74590051E-01  0.21572648E-35