1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.20051885E-01 -0.33160844E-37 -0.10842022E-18 0.12705494E-18 -0.77124641E-03 -0.12598851E-02 -0.23039296E-18 -0.39810549E-19 0.88043823E-03 -0.46555025E-02 -0.10842022E-18 -0.12705494E-18 0.23278371E-01 0.12443567E-36 0.69795515E-18 -0.29053230E-18 0.16212608E-02 0.25410182E-02 0.23039296E-18 0.39810549E-19 -0.77124641E-03 0.12598851E-02 0.69795515E-18 0.29053230E-18 0.11720292E-01 0.00000000E+00 -0.69795515E-18 0.29053230E-18 -0.77124641E-03 -0.12598851E-02 -0.23039296E-18 0.39810549E-19 0.16212608E-02 -0.25410182E-02 -0.69795515E-18 -0.29053230E-18 0.23278371E-01 -0.12443567E-36 0.10842022E-18 -0.12705494E-18 0.88043823E-03 0.46555025E-02 0.23039296E-18 -0.39810549E-19 -0.77124641E-03 0.12598851E-02 0.10842022E-18 0.12705494E-18 0.20051885E-01 0.33160844E-37