1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.74077672E-01 -0.88439262E-36 -0.48111471E-18 0.31848439E-18 -0.15720427E-03 -0.34748953E-02 -0.99949888E-18 0.30493186E-18 0.10248802E-01 -0.18191118E-01 -0.48111471E-18 -0.31848439E-18 0.82665388E-01 -0.28628269E-35 0.27172817E-17 -0.82924526E-18 0.63472455E-02 0.76056035E-02 0.99949888E-18 -0.30493186E-18 -0.15720427E-03 0.34748953E-02 0.27172817E-17 0.82924526E-18 0.39561885E-01 0.00000000E+00 -0.27172817E-17 0.82924526E-18 -0.15720427E-03 -0.34748953E-02 -0.99949888E-18 -0.30493186E-18 0.63472455E-02 -0.76056035E-02 -0.27172817E-17 -0.82924526E-18 0.82665388E-01 0.28628269E-35 0.48111471E-18 -0.31848439E-18 0.10248802E-01 0.18191118E-01 0.99949888E-18 0.30493186E-18 -0.15720427E-03 0.34748953E-02 0.48111471E-18 0.31848439E-18 0.74077672E-01 0.88439262E-36