1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.74737865E-01 0.19795747E-37 -0.55565361E-18 0.43029274E-18 -0.13812084E-02 -0.45061428E-02 -0.70473141E-18 -0.23039296E-18 0.38743742E-02 -0.15583997E-01 -0.55565361E-18 -0.43029274E-18 0.84646202E-01 -0.44712112E-35 0.24394549E-17 -0.11384123E-17 0.52744813E-02 0.96175899E-02 0.70473141E-18 0.23039296E-18 -0.13812084E-02 0.45061428E-02 0.24394549E-17 0.11384123E-17 0.45410935E-01 0.00000000E+00 -0.24394549E-17 0.11384123E-17 -0.13812084E-02 -0.45061428E-02 -0.70473141E-18 0.23039296E-18 0.52744813E-02 -0.96175899E-02 -0.24394549E-17 -0.11384123E-17 0.84646202E-01 0.44712112E-35 0.55565361E-18 -0.43029274E-18 0.38743742E-02 0.15583997E-01 0.70473141E-18 -0.23039296E-18 -0.13812084E-02 0.45061428E-02 0.55565361E-18 0.43029274E-18 0.74737865E-01 -0.19795747E-37