1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.74079541E-01 -0.90758979E-36 -0.48111471E-18 0.31848439E-18 -0.17744145E-03 -0.34648606E-02 -0.99949888E-18 0.30493186E-18 0.10252760E-01 -0.18193328E-01 -0.48111471E-18 -0.31848439E-18 0.82664047E-01 -0.26745849E-35 0.27240580E-17 -0.82924526E-18 0.63474607E-02 0.76054394E-02 0.99949888E-18 -0.30493186E-18 -0.17744145E-03 0.34648606E-02 0.27240580E-17 0.82924526E-18 0.39557118E-01 0.00000000E+00 -0.27240580E-17 0.82924526E-18 -0.17744145E-03 -0.34648606E-02 -0.99949888E-18 -0.30493186E-18 0.63474607E-02 -0.76054394E-02 -0.27240580E-17 -0.82924526E-18 0.82664047E-01 0.26745849E-35 0.48111471E-18 -0.31848439E-18 0.10252760E-01 0.18193328E-01 0.99949888E-18 0.30493186E-18 -0.17744145E-03 0.34648606E-02 0.48111471E-18 0.31848439E-18 0.74079541E-01 0.90758979E-36