1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.21755604E-01 -0.86327368E-37 -0.16263033E-18 0.16093626E-18 -0.14766074E-02 -0.15269612E-02 -0.23039296E-18 -0.20328791E-19 0.29743719E-04 -0.57674780E-02 -0.16263033E-18 -0.16093626E-18 0.26577245E-01 0.38719272E-35 0.77376460E-18 -0.33203692E-18 0.21430345E-02 0.27332781E-02 0.23039296E-18 0.20328791E-19 -0.14766074E-02 0.15269612E-02 0.77376460E-18 0.33203692E-18 0.12591306E-01 0.00000000E+00 -0.77376460E-18 0.33203692E-18 -0.14766074E-02 -0.15269612E-02 -0.23039296E-18 0.20328791E-19 0.21430345E-02 -0.27332781E-02 -0.77376460E-18 -0.33203692E-18 0.26577245E-01 -0.38719272E-35 0.16263033E-18 -0.16093626E-18 0.29743719E-04 0.57674780E-02 0.23039296E-18 -0.20328791E-19 -0.14766074E-02 0.15269612E-02 0.16263033E-18 0.16093626E-18 0.21755604E-01 0.86327368E-37