1 atom density matrix 2 0.000000 0.000000 0.000000 L, Lx,Ly,Lz in global orthogonal system 0.21755623E-01 -0.92225398E-37 -0.17618285E-18 0.16093626E-18 -0.14809142E-02 -0.15244480E-02 -0.23039296E-18 -0.20328791E-19 0.29647658E-04 -0.57673025E-02 -0.17618285E-18 -0.16093626E-18 0.26576965E-01 0.38720143E-35 0.77376460E-18 -0.32864878E-18 0.21433265E-02 0.27332396E-02 0.23039296E-18 0.20328791E-19 -0.14809142E-02 0.15244480E-02 0.77376460E-18 0.32864878E-18 0.12590344E-01 0.00000000E+00 -0.77376460E-18 0.32864878E-18 -0.14809142E-02 -0.15244480E-02 -0.23039296E-18 0.20328791E-19 0.21433265E-02 -0.27332396E-02 -0.77376460E-18 -0.32864878E-18 0.26576965E-01 -0.38720143E-35 0.17618285E-18 -0.16093626E-18 0.29647658E-04 0.57673025E-02 0.23039296E-18 -0.20328791E-19 -0.14809142E-02 0.15244480E-02 0.17618285E-18 0.16093626E-18 0.21755623E-01 0.92225398E-37