1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.11350185E-02 0.20672165E-50 -0.14092977E-19 0.70935178E-20 -0.11284218E-03 -0.94587811E-04 -0.13437652E-19 0.53890729E-20 -0.41396396E-04 -0.34995919E-03 -0.14092977E-19 -0.70935178E-20 0.15033772E-02 0.54290533E-51 0.46279209E-19 -0.16748682E-19 0.12264703E-03 0.14610301E-03 0.13437652E-19 -0.53890729E-20 -0.11284218E-03 0.94587811E-04 0.46279209E-19 0.16748682E-19 0.67148937E-03 0.00000000E+00 -0.46279209E-19 0.16748682E-19 -0.11284218E-03 -0.94587811E-04 -0.13437652E-19 -0.53890729E-20 0.12264703E-03 -0.14610301E-03 -0.46279209E-19 -0.16748682E-19 0.15033772E-02 -0.54290533E-51 0.14092977E-19 -0.70935178E-20 -0.41396396E-04 0.34995919E-03 0.13437652E-19 0.53890729E-20 -0.11284218E-03 0.94587811E-04 0.14092977E-19 0.70935178E-20 0.11350185E-02 -0.20672165E-50