1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.26149915E-01 -0.22468958E-36 -0.16263033E-18 0.12536088E-18 -0.12527425E-03 -0.14483343E-02 -0.21684043E-18 -0.94867690E-19 0.16823977E-02 -0.51848908E-02 -0.16263033E-18 -0.12536088E-18 0.28935373E-01 -0.48340037E-36 0.86058547E-18 -0.39302329E-18 0.17456856E-02 0.33881680E-02 0.21684043E-18 0.94867690E-19 -0.12527425E-03 0.14483343E-02 0.86058547E-18 0.39302329E-18 0.15569311E-01 0.00000000E+00 -0.86058547E-18 0.39302329E-18 -0.12527425E-03 -0.14483343E-02 -0.21684043E-18 0.94867690E-19 0.17456856E-02 -0.33881680E-02 -0.86058547E-18 -0.39302329E-18 0.28935373E-01 0.48340037E-36 0.16263033E-18 -0.12536088E-18 0.16823977E-02 0.51848908E-02 0.21684043E-18 -0.94867690E-19 -0.12527425E-03 0.14483343E-02 0.16263033E-18 0.12536088E-18 0.26149915E-01 0.22468958E-36