1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.23548716E-01 0.21406902E-36 -0.14907780E-18 0.94867690E-19 0.12699815E-03 -0.11310886E-02 -0.27105054E-18 0.33881318E-20 0.33194249E-02 -0.50440378E-02 -0.14907780E-18 -0.94867690E-19 0.25740911E-01 -0.20543864E-36 0.81992789E-18 -0.29984966E-18 0.16521590E-02 0.25832866E-02 0.27105054E-18 -0.33881318E-20 0.12699815E-03 0.11310886E-02 0.81992789E-18 0.29984966E-18 0.13219310E-01 0.00000000E+00 -0.81992789E-18 0.29984966E-18 0.12699815E-03 -0.11310886E-02 -0.27105054E-18 -0.33881318E-20 0.16521590E-02 -0.25832866E-02 -0.81992789E-18 -0.29984966E-18 0.25740911E-01 0.20543864E-36 0.14907780E-18 -0.94867690E-19 0.33194249E-02 0.50440378E-02 0.27105054E-18 0.33881318E-20 0.12699815E-03 0.11310886E-02 0.14907780E-18 0.94867690E-19 0.23548716E-01 -0.21406902E-36