1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.43587206E-01 0.30883927E-36 -0.33203692E-18 0.16263033E-18 -0.11334837E-03 -0.21079031E-02 -0.63739229E-18 0.22869890E-18 0.69550739E-02 -0.10720059E-01 -0.33203692E-18 -0.16263033E-18 0.49189927E-01 -0.62965270E-36 0.15924219E-17 -0.45909186E-18 0.34047694E-02 0.42863879E-02 0.63739229E-18 -0.22869890E-18 -0.11334837E-03 0.21079031E-02 0.15924219E-17 0.45909186E-18 0.24508893E-01 0.00000000E+00 -0.15924219E-17 0.45909186E-18 -0.11334837E-03 -0.21079031E-02 -0.63739229E-18 -0.22869890E-18 0.34047694E-02 -0.42863879E-02 -0.15924219E-17 -0.45909186E-18 0.49189927E-01 0.62965270E-36 0.33203692E-18 -0.16263033E-18 0.69550739E-02 0.10720059E-01 0.63739229E-18 0.22869890E-18 -0.11334837E-03 0.21079031E-02 0.33203692E-18 0.16263033E-18 0.43587206E-01 -0.30883927E-36