1 atom density matrix
    2  0.000000  0.000000  0.000000 L, Lx,Ly,Lz in global orthogonal system
  0.26360606E-01 -0.22236306E-36   -0.14907780E-18  0.13256066E-18
  0.10375056E-03 -0.13427332E-02   -0.24394549E-18 -0.66068570E-19
  0.26599585E-02 -0.52530456E-02
 -0.14907780E-18 -0.13256066E-18    0.28694426E-01  0.15864542E-36
  0.92157185E-18 -0.37947076E-18    0.17498800E-02  0.31567474E-02
  0.24394549E-18  0.66068570E-19
  0.10375056E-03  0.13427332E-02    0.92157185E-18  0.37947076E-18
  0.15181155E-01  0.00000000E+00   -0.92157185E-18  0.37947076E-18
  0.10375056E-03 -0.13427332E-02
 -0.24394549E-18  0.66068570E-19    0.17498800E-02 -0.31567474E-02
 -0.92157185E-18 -0.37947076E-18    0.28694426E-01 -0.15864542E-36
  0.14907780E-18 -0.13256066E-18
  0.26599585E-02  0.52530456E-02    0.24394549E-18 -0.66068570E-19
  0.10375056E-03  0.13427332E-02    0.14907780E-18  0.13256066E-18
  0.26360606E-01  0.22236306E-36