1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.25682646E-01 -0.74952546E-37 -0.16263033E-18 0.14060747E-18 -0.47946749E-03 -0.15828675E-02 -0.18973538E-18 -0.40657581E-19 0.94120374E-03 -0.53464975E-02 -0.16263033E-18 -0.14060747E-18 0.29245245E-01 0.65925907E-35 0.84703295E-18 -0.37947076E-18 0.18376815E-02 0.34318285E-02 0.18973538E-18 0.40657581E-19 -0.47946749E-03 0.15828675E-02 0.84703295E-18 0.37947076E-18 0.15546020E-01 0.00000000E+00 -0.84703295E-18 0.37947076E-18 -0.47946749E-03 -0.15828675E-02 -0.18973538E-18 0.40657581E-19 0.18376815E-02 -0.34318285E-02 -0.84703295E-18 -0.37947076E-18 0.29245245E-01 -0.65925907E-35 0.16263033E-18 -0.14060747E-18 0.94120374E-03 0.53464975E-02 0.18973538E-18 -0.40657581E-19 -0.47946749E-03 0.15828675E-02 0.16263033E-18 0.14060747E-18 0.25682646E-01 0.74952546E-37