z i z-i ion phix_i psix_i xi_i alpha_i a_i b_i 6 0 6 C1 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 6 1 5 C2 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 -5.750E-01 6 2 4 C3 2.072E+00 3.209E-02 7.592E+00 -4.250E-01 1.000E-01 -5.750E-01 6 3 3 C4 1.401E+00 2.772E-02 -5.065E-02 -3.750E-01 3.250E-01 -4.250E-01 6 4 2 C5 6.071E-10 6.693E+02 8.539E-10 -1.000E-01 9.000E-01 -2.750E-01 6 5 1 C6 3.626E-01 4.615E-03 6.467E-01 -5.000E-01 1.000E-01 -6.500E-01 6 6 0 C7 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 6.750E-01 -2.250E-01 7 0 7 N1 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 7 1 6 N2 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 -5.750E-01 7 2 5 N3 7.251E-01 6.467E-02 2.142E+00 -4.250E-01 1.500E-01 -7.250E-01 7 3 4 N4 1.336E+00 5.268E-02 5.329E+00 -3.500E-01 3.500E-01 -5.500E-01 7 4 3 N5 5.474E-01 3.534E-02 4.985E+00 -3.750E-01 2.250E-01 -4.750E-01 7 5 2 N6 1.412E-09 5.185E+02 3.722E-09 -5.000E-01 1.975E+00 -1.750E-01 7 6 1 N7 5.134E-01 2.973E-03 -2.464E+01 -5.000E-01 1.000E-01 -7.000E-01 7 7 0 N8 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 8.250E-01 -2.500E-01 8 0 8 O1 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 8 1 7 O2 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 8 2 6 O3 1.952E-01 1.605E-01 1.759E-01 -4.750E-01 2.000E-01 -7.500E-01 8 3 5 O4 1.928E+00 4.421E-02 5.116E+00 -3.750E-01 6.250E-01 -6.750E-01 8 4 4 O5 8.243E-01 5.098E-02 7.811E+00 -3.500E-01 2.500E-01 -5.500E-01 8 5 3 O6 3.577E-01 4.344E-02 4.308E+00 -3.750E-01 1.250E-01 -6.250E-01 8 6 2 O7 6.186E-08 2.885E+01 3.429E-08 -5.000E-01 1.000E+00 -2.250E-01 8 7 1 O8 1.114E+00 1.551E-03 3.030E+01 -4.750E-01 1.250E-01 -6.750E-01 8 8 0 O9 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 2.750E-01 -3.500E-01 10 0 10 Ne1 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 10 1 9 Ne2 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 10 2 8 Ne3 9.663E-02 1.063E-01 3.555E-02 -5.000E-01 2.000E-01 -8.000E-01 10 3 7 Ne4 1.476E+00 4.602E-02 2.735E+00 -4.000E-01 1.250E-01 -1.250E+00 10 4 6 Ne5 2.040E+00 4.461E-02 1.042E+01 -4.000E-01 6.000E-01 -8.000E-01 10 5 5 Ne6 1.803E+00 4.255E-02 1.333E+01 -3.500E-01 4.250E-01 -8.750E-01 10 6 4 Ne7 1.156E+00 4.663E-02 1.252E+01 -3.000E-01 6.000E-01 -8.000E-01 10 7 3 Ne8 8.022E-01 2.481E-02 6.792E+00 -3.250E-01 1.250E-01 -1.125E+00 10 8 2 Ne9 5.319E-05 1.878E-01 2.518E-03 -5.000E-01 1.175E+00 -2.000E-01 10 9 1 Ne10 5.614E-01 2.094E-03 4.712E+01 -4.250E-01 1.500E-01 -5.750E-01 10 10 0 Ne11 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 3.250E-01 -3.250E-01 11 0 11 Na1 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 11 1 10 Na2 6.117E-08 1.333E+03 5.172E-09 -1.000E-01 1.725E+00 -5.750E-01 11 2 9 Na3 3.796E-02 1.642E-01 1.334E-02 -5.000E-01 3.500E-01 -9.000E-01 11 3 8 Na4 1.118E+00 3.646E-02 -5.064E+00 -4.250E-01 1.150E+00 -1.250E+00 11 4 7 Na5 2.081E+00 4.682E-02 1.586E+01 -4.000E-01 1.000E-01 -1.425E+00 11 5 6 Na6 2.519E+00 5.085E-02 1.571E+01 -3.750E-01 1.250E+00 -1.025E+00 11 6 5 Na7 1.645E+00 5.932E-02 6.526E-02 -2.750E-01 2.000E+00 -9.000E-01 11 7 4 Na8 1.089E+00 5.032E-02 1.424E+01 -2.250E-01 8.500E-01 -4.500E-01 11 8 3 Na9 1.422E+00 2.092E-02 5.089E+01 -3.000E-01 9.250E-01 -8.750E-01 11 9 2 Na10 1.031E-04 1.253E-01 1.531E-02 -1.000E-01 1.725E+00 -1.250E-01 11 10 1 Na11 5.948E-01 1.855E-03 -3.747E+01 -1.500E-01 3.250E-01 -3.500E-01 11 11 0 Na12 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 1.250E+00 -3.750E-01 12 0 12 Mg1 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 12 1 11 Mg2 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 -1.950E+00 12 2 10 Mg3 5.183E-09 3.136E+03 3.175E-09 -5.000E-01 3.250E-01 -3.500E-01 12 3 9 Mg4 6.367E-01 4.763E-02 6.184E-01 -4.750E-01 2.500E-01 -7.750E-01 12 4 8 Mg5 3.185E+00 3.792E-02 1.644E+01 -4.750E-01 6.750E-01 -8.750E-01 12 5 7 Mg6 4.256E+00 4.698E-02 2.198E+01 -4.250E-01 2.500E-01 -8.500E-01 12 6 6 Mg7 3.879E+00 6.017E-02 3.985E+01 -4.000E-01 8.000E-01 -8.250E-01 12 7 5 Mg8 2.581E+00 6.435E-02 2.369E+01 -3.500E-01 6.750E-01 -9.000E-01 12 8 4 Mg9 2.205E+00 4.706E-02 1.836E+01 -3.250E-01 6.750E-01 -7.000E-01 12 9 3 Mg10 6.235E+00 9.969E-03 4.384E+02 -4.500E-01 4.000E-01 -9.500E-01 12 10 2 Mg11 9.453E-04 3.385E-02 5.146E-02 -1.000E-01 1.250E+00 0.000E+00 12 11 1 Mg12 8.868E-01 1.465E-03 2.520E+02 -3.000E-01 4.750E-01 -5.000E-01 12 12 0 Mg13 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 7.250E-01 -5.500E-01 13 0 13 Al1 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 13 1 12 Al2 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 13 2 11 Al3 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 -1.150E+00 13 3 10 Al4 1.994E-08 1.141E+03 2.932E-08 -5.000E-01 1.475E+00 -4.000E-01 13 4 9 Al5 9.679E-01 3.802E-02 -4.096E+00 -4.500E-01 6.000E-01 -9.750E-01 13 5 8 Al6 1.613E+00 4.447E-02 1.547E+01 -4.000E-01 6.250E-01 -1.150E+00 13 6 7 Al7 1.523E+00 6.837E-02 2.954E+00 -3.250E-01 2.000E+00 -9.500E-01 13 7 6 Al8 1.202E+00 8.996E-02 -2.641E+01 -2.500E-01 1.000E-01 -8.250E-01 13 8 5 Al9 1.382E+00 6.790E-02 -1.444E+01 -2.250E-01 5.000E-01 -2.500E-01 13 9 4 Al10 2.150E+00 3.286E-02 5.000E+01 -3.000E-01 1.600E+00 0.000E+00 13 10 3 Al11 4.800E+00 6.738E-03 -6.629E+02 -2.750E-01 5.750E-01 -8.750E-01 13 11 2 Al12 1.673E-03 1.435E-02 1.798E-01 -1.250E-01 1.300E+00 0.000E+00 13 12 1 Al13 2.222E-01 1.492E-03 -1.268E+02 -2.500E-01 6.000E-01 -6.250E-01 13 13 0 Al14 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 2.000E+00 -9.250E-01 14 0 14 Si1 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 14 1 13 Si2 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 14 2 12 Si3 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 -8.000E-01 14 3 11 Si4 8.618E+00 2.524E-02 1.143E+02 -4.250E-01 9.500E-01 -7.750E-01 14 4 10 Si5 1.282E-06 7.061E+01 6.514E-06 -1.000E-01 1.125E+00 -3.000E-01 14 5 9 Si6 6.224E-01 4.945E-02 1.732E+00 -3.500E-01 2.000E-01 -5.250E-01 14 6 8 Si7 1.118E+00 5.851E-02 1.945E+00 -3.500E-01 1.500E-01 -9.000E-01 14 7 7 Si8 1.122E+00 7.603E-02 1.903E+01 -3.250E-01 5.750E-01 -1.075E+00 14 8 6 Si9 1.407E+00 6.578E-02 1.732E+01 -3.000E-01 9.750E-01 -8.750E-01 14 9 5 Si10 2.133E+00 4.066E-02 5.934E+01 -3.000E-01 1.650E+00 -8.250E-01 14 10 4 Si11 3.868E+00 1.597E-02 1.384E+02 -3.000E-01 1.300E+00 -6.750E-01 14 11 3 Si12 5.374E+00 4.640E-03 5.216E+02 -3.250E-01 1.000E-01 -8.000E-01 14 12 2 Si13 1.489E-03 1.189E-02 2.480E-01 -1.500E-01 1.200E+00 -2.500E-02 14 13 1 Si14 1.281E-01 1.285E-03 5.390E+02 -5.000E-01 1.000E-01 -1.750E-01 14 14 0 Si15 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 1.000E-01 -9.500E-01 16 0 16 S1 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 16 1 15 S2 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 16 2 14 S3 1.948E-01 3.325E-01 6.867E-02 -4.000E-01 1.500E-01 -1.025E+00 16 3 13 S4 2.099E+00 1.269E-01 -6.771E+00 -4.250E-01 9.750E-01 -8.250E-01 16 4 12 S5 4.488E+00 8.322E-02 -9.640E+00 -3.750E-01 3.750E-01 -1.125E+00 16 5 11 S6 2.112E+00 5.847E-02 4.280E+01 -3.500E-01 3.750E-01 -9.750E-01 16 6 10 S7 7.113E-04 1.254E+00 2.955E-03 -3.000E-01 1.225E+00 -3.250E-01 16 7 9 S8 4.404E-01 7.786E-02 -4.125E-01 -3.250E-01 1.125E+00 -6.750E-01 16 8 8 S9 1.294E+00 6.004E-02 3.144E+00 -3.500E-01 1.000E+00 -7.250E-01 16 9 7 S10 2.472E+00 4.389E-02 8.010E+01 -3.500E-01 2.000E+00 -7.500E-01 16 10 6 S11 4.489E+00 2.809E-02 1.890E+02 -3.250E-01 2.000E+00 -7.000E-01 16 11 5 S12 6.436E+00 1.578E-02 5.436E+02 -3.250E-01 1.100E+00 -1.000E+00 16 12 4 S13 7.534E+00 8.017E-03 1.367E+03 -3.000E-01 1.600E+00 -5.750E-01 16 13 3 S14 6.009E+00 3.756E-03 8.149E+02 -3.250E-01 1.300E+00 -7.250E-01 16 14 2 S15 4.146E-04 2.351E-02 1.721E-01 -1.000E-01 1.225E+00 -7.500E-02 16 15 1 S16 1.854E-02 1.294E-03 5.878E+03 -5.000E-01 1.000E-01 0.000E+00 16 16 0 S17 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 1.000E-01 0.000E+00 18 0 18 Ar1 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 18 1 17 Ar2 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 -9.500E-01 18 2 16 Ar3 1.002E-02 2.894E+00 -1.349E-01 -4.750E-01 3.000E-01 0.000E+00 18 3 15 Ar4 1.527E+00 2.304E-01 -6.306E+01 -5.000E-01 1.000E-01 0.000E+00 18 4 14 Ar5 1.138E+01 8.091E-02 -7.922E+02 -4.000E-01 1.000E-01 -1.025E+00 18 5 13 Ar6 1.353E+01 6.336E-02 -2.875E+02 -3.750E-01 1.000E-01 -1.700E+00 18 6 12 Ar7 5.657E+00 7.555E-02 4.030E+02 -3.500E-01 1.000E-01 -7.500E-01 18 7 11 Ar8 1.973E+00 5.730E-02 1.903E+02 -3.250E-01 1.450E+00 -7.500E-01 18 8 10 Ar9 3.921E-03 3.532E-01 2.963E-02 -1.000E-01 2.000E+00 -3.250E-01 18 9 9 Ar10 1.451E+00 3.713E-02 3.943E+00 -3.500E-01 1.725E+00 -6.250E-01 18 10 8 Ar11 2.612E+00 3.199E-02 -4.018E+02 -3.500E-01 1.975E+00 -3.500E-01 18 11 7 Ar12 4.878E+00 2.386E-02 -1.630E+03 -3.250E-01 8.250E-01 -7.500E-01 18 12 6 Ar13 6.101E+00 1.954E-02 -2.281E+03 -2.750E-01 1.000E-01 -7.250E-01 18 13 5 Ar14 8.132E+00 1.271E-02 2.671E+02 -3.000E-01 2.000E+00 -7.500E-01 18 14 4 Ar15 8.279E+00 7.371E-03 4.081E+03 -2.750E-01 1.525E+00 -4.500E-01 18 15 3 Ar16 6.134E+00 3.338E-03 3.442E+03 -3.000E-01 1.450E+00 -1.750E-01 18 16 2 Ar17 3.175E-05 7.701E-02 4.085E-01 -5.000E-01 8.750E-01 0.000E+00 18 17 1 Ar18 7.911E-03 1.131E-03 5.024E+04 -5.000E-01 1.000E-01 0.000E+00 18 18 0 Ar19 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 1.000E-01 0.000E+00 20 0 20 Ca1 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 20 1 19 Ca2 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 -2.000E+00 20 2 18 Ca3 1.193E-05 8.952E+01 1.273E-04 -2.000E-01 1.650E+00 -1.750E-01 20 3 17 Ca4 2.782E-01 3.722E-01 -1.342E+00 -5.000E-01 6.250E-01 0.000E+00 20 4 16 Ca5 4.707E+00 1.083E-01 -4.188E+02 -4.250E-01 1.725E+00 0.000E+00 20 5 15 Ca6 1.873E+01 8.067E-02 3.051E+02 -4.250E-01 1.000E-01 -9.000E-01 20 6 14 Ca7 2.052E+01 7.899E-02 2.155E+03 -3.750E-01 1.000E-01 -1.000E+00 20 7 13 Ca8 1.257E+01 7.704E-02 3.374E+03 -3.500E-01 1.000E-01 0.000E+00 20 8 12 Ca9 5.209E+00 8.665E-02 6.784E+02 -3.250E-01 1.250E-01 0.000E+00 20 9 11 Ca10 2.513E+00 4.877E-02 1.886E+02 -2.500E-01 1.525E+00 -7.250E-01 20 10 10 Ca11 2.158E-02 1.566E-01 3.935E-01 -4.000E-01 1.825E+00 -4.250E-01 20 11 9 Ca12 2.203E+00 2.194E-02 -5.005E+01 -3.250E-01 1.450E+00 -3.750E-01 20 12 8 Ca13 4.022E+00 2.002E-02 -1.468E+03 -3.500E-01 6.750E-01 0.000E+00 20 13 7 Ca14 6.362E+00 1.777E-02 -3.562E+03 -3.500E-01 2.000E+00 0.000E+00 20 14 6 Ca15 9.232E+00 1.368E-02 -5.281E+03 -2.750E-01 1.000E-01 0.000E+00 20 15 5 Ca16 1.095E+01 9.410E-03 -6.522E+03 -2.750E-01 1.475E+00 -2.750E-01 20 16 4 Ca17 1.074E+01 5.592E-03 1.699E+04 -3.000E-01 1.725E+00 0.000E+00 20 17 3 Ca18 6.510E+00 2.560E-03 5.936E+03 -3.500E-01 3.750E-01 0.000E+00 20 18 2 Ca19 2.685E-06 2.571E-01 4.504E-01 -5.000E-01 1.050E+00 0.000E+00 20 19 1 Ca20 6.406E-04 1.605E-03 9.267E+05 -5.000E-01 1.000E-01 0.000E+00 20 20 0 Ca21 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 1.250E-01 0.000E+00 26 0 26 Fe1 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 26 1 25 Fe2 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 -2.000E+00 26 2 24 Fe3 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 0.000E+00 26 3 23 Fe4 1.617E-01 4.982E+00 8.910E+00 -2.500E-01 1.750E-01 -9.750E-01 26 4 22 Fe5 7.244E-01 1.188E+00 8.820E+00 -2.750E-01 2.750E-01 -1.050E+00 26 5 21 Fe6 1.040E+00 5.196E-01 2.273E+01 -3.500E-01 1.000E-01 -1.300E+00 26 6 20 Fe7 1.331E+00 5.232E-01 1.593E+01 -4.000E-01 1.550E+00 0.000E+00 26 7 19 Fe8 7.757E+00 1.422E-01 -5.583E+02 -5.000E-01 1.975E+00 0.000E+00 26 8 18 Fe9 1.849E+01 9.630E-02 -2.041E+02 -3.250E-01 2.000E+00 -2.750E-01 26 9 17 Fe10 1.756E+01 1.075E-01 1.025E+04 -3.000E-01 2.000E+00 -1.500E-01 26 10 16 Fe11 1.091E+01 1.454E-01 1.368E+04 -2.500E-01 1.000E-01 -6.250E-01 26 11 15 Fe12 8.219E+00 1.374E-01 5.157E+03 -2.000E-01 1.000E-01 -8.000E-01 26 12 14 Fe13 5.596E+00 1.345E-01 5.234E+03 -2.000E-01 1.000E-01 -1.025E+00 26 13 13 Fe14 7.551E+00 1.038E-01 1.576E+04 -2.750E-01 2.000E+00 -5.750E-01 26 14 12 Fe15 7.787E+00 3.909E-02 2.842E+04 -3.000E-01 1.000E+00 -5.500E-01 26 15 11 Fe16 5.138E+00 1.261E-02 1.972E+04 -2.500E-01 1.150E+00 -3.500E-01 26 16 10 Fe17 2.951E-01 3.164E-02 2.390E+02 -5.000E-01 9.500E-01 0.000E+00 26 17 9 Fe18 5.227E+00 9.323E-03 1.922E+03 -3.000E-01 1.025E+00 0.000E+00 26 18 8 Fe19 7.657E+00 1.076E-02 4.138E+03 -4.000E-01 1.100E+00 0.000E+00 26 19 7 Fe20 9.640E+00 1.105E-02 1.008E+04 -3.000E-01 1.775E+00 0.000E+00 26 20 6 Fe21 8.326E+00 1.111E-02 9.195E+03 -3.250E-01 1.550E+00 -2.500E-02 26 21 5 Fe22 7.369E+00 8.069E-03 9.954E+03 -1.500E-01 8.250E-01 -4.250E-01 26 22 4 Fe23 6.136E+00 5.207E-03 1.779E+05 -5.000E-01 1.000E-01 0.000E+00 26 23 3 Fe24 2.734E+00 2.392E-03 8.953E+05 -5.000E-01 1.000E-01 0.000E+00 26 24 2 Fe25 3.014E-12 6.317E+02 4.586E-05 -1.000E-01 1.000E-01 0.000E+00 26 25 1 Fe26 0.000E+00 0.000E+00 0.000E+00 -5.000E-01 1.000E+00 -1.975E+00 26 26 0 Fe27 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 1.000E-01 0.000E+00