1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.20620428E-01 0.31880772E-36 -0.12197274E-18 0.10842022E-18 -0.24358256E-03 -0.11310673E-02 -0.27105054E-18 -0.19825865E-19 0.21690653E-02 -0.45880760E-02 -0.12197274E-18 -0.10842022E-18 0.22890765E-01 -0.13883871E-36 0.71828394E-18 -0.26935648E-18 0.15541254E-02 0.23690978E-02 0.27105054E-18 0.19825865E-19 -0.24358256E-03 0.11310673E-02 0.71828394E-18 0.26935648E-18 0.11602954E-01 0.00000000E+00 -0.71828394E-18 0.26935648E-18 -0.24358256E-03 -0.11310673E-02 -0.27105054E-18 0.19825865E-19 0.15541254E-02 -0.23690978E-02 -0.71828394E-18 -0.26935648E-18 0.22890765E-01 0.13883871E-36 0.12197274E-18 -0.10842022E-18 0.21690653E-02 0.45880760E-02 0.27105054E-18 -0.19825865E-19 -0.24358256E-03 0.11310673E-02 0.12197274E-18 0.10842022E-18 0.20620428E-01 -0.31880772E-36