1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.43588319E-01 0.29594949E-36 -0.33203692E-18 0.16263033E-18 -0.12539641E-03 -0.21022902E-02 -0.63739229E-18 0.22869890E-18 0.69573277E-02 -0.10721392E-01 -0.33203692E-18 -0.16263033E-18 0.49189274E-01 -0.62943824E-36 0.15856457E-17 -0.45909186E-18 0.34049554E-02 0.42863011E-02 0.63739229E-18 -0.22869890E-18 -0.12539641E-03 0.21022902E-02 0.15856457E-17 0.45909186E-18 0.24505996E-01 0.00000000E+00 -0.15856457E-17 0.45909186E-18 -0.12539641E-03 -0.21022902E-02 -0.63739229E-18 -0.22869890E-18 0.34049554E-02 -0.42863011E-02 -0.15856457E-17 -0.45909186E-18 0.49189274E-01 0.62943824E-36 0.33203692E-18 -0.16263033E-18 0.69573277E-02 0.10721392E-01 0.63739229E-18 0.22869890E-18 -0.12539641E-03 0.21022902E-02 0.33203692E-18 0.16263033E-18 0.43588319E-01 -0.29594949E-36