1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.20052029E-01 -0.38078253E-37 -0.10842022E-18 0.12705494E-18 -0.77510682E-03 -0.12577743E-02 -0.23039296E-18 -0.39598790E-19 0.88061854E-03 -0.46555810E-02 -0.10842022E-18 -0.12705494E-18 0.23278078E-01 0.12453315E-36 0.69795515E-18 -0.29053230E-18 0.16215835E-02 0.25409758E-02 0.23039296E-18 0.39598790E-19 -0.77510682E-03 0.12577743E-02 0.69795515E-18 0.29053230E-18 0.11719304E-01 0.00000000E+00 -0.69795515E-18 0.29053230E-18 -0.77510682E-03 -0.12577743E-02 -0.23039296E-18 0.39598790E-19 0.16215835E-02 -0.25409758E-02 -0.69795515E-18 -0.29053230E-18 0.23278078E-01 -0.12453315E-36 0.10842022E-18 -0.12705494E-18 0.88061854E-03 0.46555810E-02 0.23039296E-18 -0.39598790E-19 -0.77510682E-03 0.12577743E-02 0.10842022E-18 0.12705494E-18 0.20052029E-01 0.38078253E-37