1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.26017928E-01 -0.25768185E-37 -0.11519648E-18 0.13298417E-18 -0.25266586E-03 -0.12967129E-02 -0.26427428E-18 -0.27105054E-19 0.22384811E-02 -0.56062398E-02 -0.11519648E-18 -0.13298417E-18 0.28737006E-01 0.67362395E-36 0.86736174E-18 -0.36337713E-18 0.20565559E-02 0.29953537E-02 0.26427428E-18 0.27105054E-19 -0.25266586E-03 0.12967129E-02 0.86736174E-18 0.36337713E-18 0.14556178E-01 0.00000000E+00 -0.86736174E-18 0.36337713E-18 -0.25266586E-03 -0.12967129E-02 -0.26427428E-18 0.27105054E-19 0.20565559E-02 -0.29953537E-02 -0.86736174E-18 -0.36337713E-18 0.28737006E-01 -0.67362395E-36 0.11519648E-18 -0.13298417E-18 0.22384811E-02 0.56062398E-02 0.26427428E-18 -0.27105054E-19 -0.25266586E-03 0.12967129E-02 0.11519648E-18 0.13298417E-18 0.26017928E-01 0.25768185E-37