1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.23913074E-01 -0.71509040E-37 -0.13891340E-18 0.10842022E-18 0.20935138E-03 -0.12763888E-02 -0.18295912E-18 -0.83009229E-19 0.18972293E-02 -0.42537014E-02 -0.13891340E-18 -0.10842022E-18 0.25896424E-01 -0.19183516E-35 0.74877713E-18 -0.32864878E-18 0.12798933E-02 0.32449772E-02 0.18295912E-18 0.83009229E-19 0.20935138E-03 0.12763888E-02 0.74877713E-18 0.32864878E-18 0.14675059E-01 0.00000000E+00 -0.74877713E-18 0.32864878E-18 0.20935138E-03 -0.12763888E-02 -0.18295912E-18 0.83009229E-19 0.12798933E-02 -0.32449772E-02 -0.74877713E-18 -0.32864878E-18 0.25896424E-01 0.19183516E-35 0.13891340E-18 -0.10842022E-18 0.18972293E-02 0.42537014E-02 0.18295912E-18 -0.83009229E-19 0.20935138E-03 0.12763888E-02 0.13891340E-18 0.10842022E-18 0.23913074E-01 0.71509040E-37