1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.22716945E-01 0.18326485E-36 -0.10842022E-18 0.15585406E-18 -0.69998190E-03 -0.12772874E-02 -0.27105054E-18 0.67762636E-20 0.15439779E-02 -0.55770225E-02 -0.10842022E-18 -0.15585406E-18 0.25658471E-01 -0.44211092E-36 0.77588218E-18 -0.30154373E-18 0.21103101E-02 0.25379406E-02 0.27105054E-18 -0.67762636E-20 -0.69998190E-03 0.12772874E-02 0.77588218E-18 0.30154373E-18 0.12285494E-01 0.00000000E+00 -0.77588218E-18 0.30154373E-18 -0.69998190E-03 -0.12772874E-02 -0.27105054E-18 -0.67762636E-20 0.21103101E-02 -0.25379406E-02 -0.77588218E-18 -0.30154373E-18 0.25658471E-01 0.44211092E-36 0.10842022E-18 -0.15585406E-18 0.15439779E-02 0.55770225E-02 0.27105054E-18 0.67762636E-20 -0.69998190E-03 0.12772874E-02 0.10842022E-18 0.15585406E-18 0.22716945E-01 -0.18326485E-36