1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.26150154E-01 -0.23042261E-36 -0.16263033E-18 0.13213714E-18 -0.13029563E-03 -0.14458956E-02 -0.21684043E-18 -0.94867690E-19 0.16829499E-02 -0.51853394E-02 -0.16263033E-18 -0.13213714E-18 0.28935016E-01 -0.48326397E-36 0.86058547E-18 -0.39302329E-18 0.17462264E-02 0.33880632E-02 0.21684043E-18 0.94867690E-19 -0.13029563E-03 0.14458956E-02 0.86058547E-18 0.39302329E-18 0.15567508E-01 0.00000000E+00 -0.86058547E-18 0.39302329E-18 -0.13029563E-03 -0.14458956E-02 -0.21684043E-18 0.94867690E-19 0.17462264E-02 -0.33880632E-02 -0.86058547E-18 -0.39302329E-18 0.28935016E-01 0.48326397E-36 0.16263033E-18 -0.13213714E-18 0.16829499E-02 0.51853394E-02 0.21684043E-18 -0.94867690E-19 -0.13029563E-03 0.14458956E-02 0.16263033E-18 0.13213714E-18 0.26150154E-01 0.23042261E-36