1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.69108061E-01 0.10930429E-35 -0.32526065E-18 0.40488175E-18 -0.18935717E-02 -0.40024795E-02 -0.70473141E-18 -0.16263033E-18 0.36594889E-02 -0.15646622E-01 -0.32526065E-18 -0.40488175E-18 0.78652426E-01 0.90420780E-36 0.23852448E-17 -0.10028870E-17 0.56755160E-02 0.86937127E-02 0.70473141E-18 0.16263033E-18 -0.18935717E-02 0.40024795E-02 0.23852448E-17 0.10028870E-17 0.39161621E-01 0.00000000E+00 -0.23852448E-17 0.10028870E-17 -0.18935717E-02 -0.40024795E-02 -0.70473141E-18 0.16263033E-18 0.56755160E-02 -0.86937127E-02 -0.23852448E-17 -0.10028870E-17 0.78652426E-01 -0.90420780E-36 0.32526065E-18 -0.40488175E-18 0.36594889E-02 0.15646622E-01 0.70473141E-18 -0.16263033E-18 -0.18935717E-02 0.40024795E-02 0.32526065E-18 0.40488175E-18 0.69108061E-01 -0.10930429E-35