1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.11350231E-02 -0.10461368E-49 -0.14074728E-19 0.70829921E-20 -0.11307192E-03 -0.94447458E-04 -0.13455174E-19 0.53976117E-20 -0.41407262E-04 -0.34992571E-03 -0.14074728E-19 -0.70829921E-20 0.15033650E-02 -0.54290533E-51 0.46265415E-19 -0.16740010E-19 0.12266268E-03 0.14610198E-03 0.13455174E-19 -0.53976117E-20 -0.11307192E-03 0.94447458E-04 0.46265415E-19 0.16740010E-19 0.67145794E-03 0.00000000E+00 -0.46265415E-19 0.16740010E-19 -0.11307192E-03 -0.94447458E-04 -0.13455174E-19 -0.53976117E-20 0.12266268E-03 -0.14610198E-03 -0.46265415E-19 -0.16740010E-19 0.15033650E-02 0.54290533E-51 0.14074728E-19 -0.70829921E-20 -0.41407262E-04 0.34992571E-03 0.13455174E-19 0.53976117E-20 -0.11307192E-03 0.94447458E-04 0.14074728E-19 0.70829921E-20 0.11350231E-02 0.10461368E-49