1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.24996276E-01 -0.46943038E-36 -0.16263033E-18 0.17279472E-18 -0.11751774E-02 -0.15003258E-02 -0.29815560E-18 -0.47433845E-19 0.86948463E-03 -0.61272084E-02 -0.16263033E-18 -0.17279472E-18 0.29042267E-01 -0.11177020E-35 0.85380921E-18 -0.36591823E-18 0.23422440E-02 0.30147525E-02 0.29815560E-18 0.47433845E-19 -0.11751774E-02 0.15003258E-02 0.85380921E-18 0.36591823E-18 0.14071155E-01 0.00000000E+00 -0.85380921E-18 0.36591823E-18 -0.11751774E-02 -0.15003258E-02 -0.29815560E-18 0.47433845E-19 0.23422440E-02 -0.30147525E-02 -0.85380921E-18 -0.36591823E-18 0.29042267E-01 0.11177020E-35 0.16263033E-18 -0.17279472E-18 0.86948463E-03 0.61272084E-02 0.29815560E-18 -0.47433845E-19 -0.11751774E-02 0.15003258E-02 0.16263033E-18 0.17279472E-18 0.24996276E-01 0.46943038E-36