1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.43324914E-01 0.62585844E-36 -0.39302329E-18 0.23378109E-18 -0.21131520E-02 -0.30341952E-02 -0.41843428E-18 0.47433845E-19 0.43786787E-03 -0.10596822E-01 -0.39302329E-18 -0.23378109E-18 0.52265045E-01 0.10080798E-34 0.15720932E-17 -0.59631119E-18 0.36713710E-02 0.57395539E-02 0.41843428E-18 -0.47433845E-19 -0.21131520E-02 0.30341952E-02 0.15720932E-17 0.59631119E-18 0.26097996E-01 0.00000000E+00 -0.15720932E-17 0.59631119E-18 -0.21131520E-02 -0.30341952E-02 -0.41843428E-18 -0.47433845E-19 0.36713710E-02 -0.57395539E-02 -0.15720932E-17 -0.59631119E-18 0.52265045E-01 -0.10080798E-34 0.39302329E-18 -0.23378109E-18 0.43786787E-03 0.10596822E-01 0.41843428E-18 0.47433845E-19 -0.21131520E-02 0.30341952E-02 0.39302329E-18 0.23378109E-18 0.43324914E-01 -0.62585844E-36