1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.25682744E-01 -0.80663644E-37 -0.16263033E-18 0.14060747E-18 -0.48436287E-03 -0.15804023E-02 -0.18973538E-18 -0.40657581E-19 0.94146958E-03 -0.53467606E-02 -0.16263033E-18 -0.14060747E-18 0.29244967E-01 0.65928868E-35 0.84025668E-18 -0.37947076E-18 0.18381883E-02 0.34317127E-02 0.18973538E-18 0.40657581E-19 -0.48436287E-03 0.15804023E-02 0.84025668E-18 0.37947076E-18 0.15544327E-01 0.00000000E+00 -0.84025668E-18 0.37947076E-18 -0.48436287E-03 -0.15804023E-02 -0.18973538E-18 0.40657581E-19 0.18381883E-02 -0.34317127E-02 -0.84025668E-18 -0.37947076E-18 0.29244967E-01 -0.65928868E-35 0.16263033E-18 -0.14060747E-18 0.94146958E-03 0.53467606E-02 0.18973538E-18 -0.40657581E-19 -0.48436287E-03 0.15804023E-02 0.16263033E-18 0.14060747E-18 0.25682744E-01 0.80663644E-37