1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.26018253E-01 -0.22036244E-36 -0.11519648E-18 0.13467824E-18 -0.25817340E-03 -0.12939672E-02 -0.25072175E-18 -0.27105054E-19 0.22392783E-02 -0.56067770E-02 -0.11519648E-18 -0.13467824E-18 0.28736569E-01 0.67348155E-36 0.86736174E-18 -0.35914197E-18 0.20569097E-02 0.29952822E-02 0.25072175E-18 0.27105054E-19 -0.25817340E-03 0.12939672E-02 0.86736174E-18 0.35914197E-18 0.14554443E-01 0.00000000E+00 -0.86736174E-18 0.35914197E-18 -0.25817340E-03 -0.12939672E-02 -0.25072175E-18 0.27105054E-19 0.20569097E-02 -0.29952822E-02 -0.86736174E-18 -0.35914197E-18 0.28736569E-01 -0.67348155E-36 0.11519648E-18 -0.13467824E-18 0.22392783E-02 0.56067770E-02 0.25072175E-18 -0.27105054E-19 -0.25817340E-03 0.12939672E-02 0.11519648E-18 0.13467824E-18 0.26018253E-01 0.22036244E-36