1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.43978829E-03 0.38042525E-51 -0.28138297E-20 0.33160701E-21 -0.16429565E-04 -0.44217809E-05 -0.52358784E-20 0.28199587E-20 0.13525668E-04 -0.12077849E-03 -0.28138297E-20 -0.33160701E-21 0.50586364E-03 0.16078350E-50 0.29596826E-19 -0.54685537E-20 0.51860691E-04 0.69309520E-04 0.52358784E-20 -0.28199587E-20 -0.16429565E-04 0.44217809E-05 0.29596826E-19 0.54685537E-20 0.45932312E-04 0.00000000E+00 -0.29596826E-19 0.54685537E-20 -0.16429565E-04 -0.44217809E-05 -0.52358784E-20 -0.28199587E-20 0.51860691E-04 -0.69309520E-04 -0.29596826E-19 -0.54685537E-20 0.50586364E-03 -0.16078350E-50 0.28138297E-20 -0.33160701E-21 0.13525668E-04 0.12077849E-03 0.52358784E-20 0.28199587E-20 -0.16429565E-04 0.44217809E-05 0.28138297E-20 0.33160701E-21 0.43978829E-03 -0.38042525E-51