1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.24996186E-01 -0.46272117E-36 -0.16263033E-18 0.16601846E-18 -0.11702044E-02 -0.15031770E-02 -0.29815560E-18 -0.47433845E-19 0.86932925E-03 -0.61270718E-02 -0.16263033E-18 -0.16601846E-18 0.29042678E-01 -0.11176904E-35 0.85380921E-18 -0.36591823E-18 0.23419639E-02 0.30147935E-02 0.29815560E-18 0.47433845E-19 -0.11702044E-02 0.15031770E-02 0.85380921E-18 0.36591823E-18 0.14072317E-01 0.00000000E+00 -0.85380921E-18 0.36591823E-18 -0.11702044E-02 -0.15031770E-02 -0.29815560E-18 0.47433845E-19 0.23419639E-02 -0.30147935E-02 -0.85380921E-18 -0.36591823E-18 0.29042678E-01 0.11176904E-35 0.16263033E-18 -0.16601846E-18 0.86932925E-03 0.61270718E-02 0.29815560E-18 -0.47433845E-19 -0.11702044E-02 0.15031770E-02 0.16263033E-18 0.16601846E-18 0.24996186E-01 0.46272117E-36