1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.43980125E-03 -0.39804357E-52 -0.28228950E-20 0.33910127E-21 -0.16301393E-04 -0.45217123E-05 -0.52252725E-20 0.28126484E-20 0.13515531E-04 -0.12078227E-03 -0.28228950E-20 -0.33910127E-21 0.50586768E-03 -0.41135519E-50 0.29606589E-19 -0.54747303E-20 0.51854597E-04 0.69310287E-04 0.52252725E-20 -0.28126484E-20 -0.16301393E-04 0.45217123E-05 0.29606589E-19 0.54747303E-20 0.45916915E-04 0.00000000E+00 -0.29606589E-19 0.54747303E-20 -0.16301393E-04 -0.45217123E-05 -0.52252725E-20 -0.28126484E-20 0.51854597E-04 -0.69310287E-04 -0.29606589E-19 -0.54747303E-20 0.50586768E-03 0.41135519E-50 0.28228950E-20 -0.33910127E-21 0.13515531E-04 0.12078227E-03 0.52252725E-20 0.28126484E-20 -0.16301393E-04 0.45217123E-05 0.28228950E-20 0.33910127E-21 0.43980125E-03 0.39804357E-52