1 atom density matrix
    2  0.000000  0.000000  0.000000 L, Lx,Ly,Lz in global orthogonal system
  0.73646061E-01  0.16251620E-36   -0.54210109E-18  0.38624702E-18
 -0.19983159E-02 -0.45602546E-02   -0.65052130E-18 -0.12197274E-18
  0.24942823E-02 -0.16287542E-01
 -0.54210109E-18 -0.38624702E-18    0.85079523E-01 -0.77465463E-35
  0.25207701E-17 -0.10570971E-17    0.55429600E-02  0.98778153E-02
  0.65052130E-18  0.12197274E-18
 -0.19983159E-02  0.45602546E-02    0.25207701E-17  0.10570971E-17
  0.43699319E-01  0.00000000E+00   -0.25207701E-17  0.10570971E-17
 -0.19983159E-02 -0.45602546E-02
 -0.65052130E-18  0.12197274E-18    0.55429600E-02 -0.98778153E-02
 -0.25207701E-17 -0.10570971E-17    0.85079523E-01  0.77465463E-35
  0.54210109E-18 -0.38624702E-18
  0.24942823E-02  0.16287542E-01    0.65052130E-18 -0.12197274E-18
 -0.19983159E-02  0.45602546E-02    0.54210109E-18  0.38624702E-18
  0.73646061E-01 -0.16251620E-36