1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.43325311E-01 0.61420435E-36 -0.38624702E-18 0.23378109E-18 -0.21224166E-02 -0.30291407E-02 -0.42012834E-18 0.47433845E-19 0.43807228E-03 -0.10596433E-01 -0.38624702E-18 -0.23378109E-18 0.52264622E-01 0.10081320E-34 0.15720932E-17 -0.59631119E-18 0.36721530E-02 0.57393693E-02 0.42012834E-18 -0.47433845E-19 -0.21224166E-02 0.30291407E-02 0.15720932E-17 0.59631119E-18 0.26095579E-01 0.00000000E+00 -0.15720932E-17 0.59631119E-18 -0.21224166E-02 -0.30291407E-02 -0.42012834E-18 -0.47433845E-19 0.36721530E-02 -0.57393693E-02 -0.15720932E-17 -0.59631119E-18 0.52264622E-01 -0.10081320E-34 0.38624702E-18 -0.23378109E-18 0.43807228E-03 0.10596433E-01 0.42012834E-18 0.47433845E-19 -0.21224166E-02 0.30291407E-02 0.38624702E-18 0.23378109E-18 0.43325311E-01 -0.61420435E-36