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 2.835E+00 4.120E-02 3.528E+00 -4.500E-01 2.250E-01 -4.500E-01 6 3 3 C4 1.515E+00 4.233E-02 -2.724E+00 -3.500E-01 1.000E-01 -3.250E-01 6 4 2 C5 4.492E-09 3.724E+02 2.695E-09 -1.000E-01 1.150E+00 -2.500E-01 6 5 1 C6 1.022E+00 4.470E-03 -3.962E+00 -5.000E-01 1.000E-01 -8.750E-01 6 6 0 C7 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 8.000E-01 -2.000E-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 -5.250E-01 7 2 5 N3 9.796E-01 9.799E-02 1.539E+00 -4.500E-01 2.750E-01 -9.000E-01 7 3 4 N4 1.764E+00 7.119E-02 1.488E+00 -3.500E-01 5.000E-01 -7.500E-01 7 4 3 N5 6.309E-01 5.659E-02 4.585E+00 -4.250E-01 2.500E-01 -4.250E-01 7 5 2 N6 6.032E-08 8.461E+01 4.988E-08 -1.000E-01 2.000E+00 -1.750E-01 7 6 1 N7 1.340E+00 3.221E-03 -9.972E+01 -5.000E-01 1.000E-01 -8.750E-01 7 7 0 N8 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 9.750E-01 -2.000E-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 2.765E-01 2.241E-01 7.699E-02 -4.250E-01 1.250E-01 -7.500E-01 8 3 5 O4 2.273E+00 6.161E-02 -6.561E-01 -3.750E-01 9.500E-01 -6.000E-01 8 4 4 O5 7.171E-01 8.339E-02 3.137E+00 -3.000E-01 1.000E-01 -4.000E-01 8 5 3 O6 7.072E-01 5.409E-02 4.040E+00 -5.000E-01 1.000E-01 -8.500E-01 8 6 2 O7 3.044E-05 4.430E-01 7.528E-05 -1.000E-01 1.300E+00 -2.000E-01 8 7 1 O8 2.042E+00 1.713E-03 4.501E+01 -4.750E-01 2.500E-01 -6.500E-01 8 8 0 O9 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 4.000E-01 -2.750E-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 1.345E-01 1.529E-01 1.977E-02 -5.000E-01 3.000E-01 -7.750E-01 10 3 7 Ne4 1.598E+00 6.409E-02 8.071E-01 -4.000E-01 2.250E-01 -1.125E+00 10 4 6 Ne5 2.481E+00 6.354E-02 7.688E+00 -4.000E-01 6.750E-01 -6.750E-01 10 5 5 Ne6 2.245E+00 6.470E-02 1.837E+01 -3.500E-01 6.250E-01 -8.500E-01 10 6 4 Ne7 1.330E+00 6.321E-02 1.236E+01 -2.750E-01 6.500E-01 -6.750E-01 10 7 3 Ne8 2.330E+00 2.291E-02 3.430E+01 -3.500E-01 3.500E-01 -1.025E+00 10 8 2 Ne9 9.832E-04 3.948E-02 1.552E-02 -1.250E-01 1.175E+00 -5.000E-02 10 9 1 Ne10 9.730E-01 2.270E-03 4.713E+01 -4.250E-01 2.000E-01 -5.500E-01 10 10 0 Ne11 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 5.750E-01 -3.000E-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 2.600E-07 6.806E+02 9.664E-09 -1.000E-01 1.300E+00 -5.000E-01 11 2 9 Na3 5.109E-02 2.336E-01 4.107E-03 -4.750E-01 2.000E-01 -9.500E-01 11 3 8 Na4 1.333E+00 5.130E-02 1.834E+00 -4.250E-01 6.750E-01 -1.250E+00 11 4 7 Na5 2.285E+00 7.564E-02 7.295E+00 -4.250E-01 5.500E-01 -1.325E+00 11 5 6 Na6 3.280E+00 7.067E-02 1.165E+00 -3.750E-01 1.950E+00 -5.750E-01 11 6 5 Na7 1.737E+00 8.523E-02 2.833E+00 -2.250E-01 1.550E+00 -6.500E-01 11 7 4 Na8 1.718E+00 6.399E-02 1.383E+01 -2.750E-01 4.750E-01 0.000E+00 11 8 3 Na9 2.967E+00 2.225E-02 1.660E+02 -2.250E-01 1.425E+00 -8.500E-01 11 9 2 Na10 3.164E-03 2.013E-02 6.266E-02 -1.750E-01 8.250E-01 0.000E+00 11 10 1 Na11 9.277E-01 2.232E-03 -3.798E+02 -1.000E-01 7.250E-01 -4.000E-01 11 11 0 Na12 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 1.850E+00 -3.250E-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 -1.800E+00 12 2 10 Mg3 9.201E-09 3.542E+03 2.565E-09 -5.000E-01 3.750E-01 -3.000E-01 12 3 9 Mg4 6.951E-01 7.818E-02 5.562E-01 -4.750E-01 1.250E-01 -9.000E-01 12 4 8 Mg5 3.731E+00 5.856E-02 5.657E+00 -5.000E-01 7.250E-01 -5.000E-01 12 5 7 Mg6 6.412E+00 5.900E-02 3.312E+01 -4.500E-01 1.200E+00 -5.750E-01 12 6 6 Mg7 4.379E+00 8.339E-02 2.337E+01 -4.000E-01 1.175E+00 -7.500E-02 12 7 5 Mg8 3.844E+00 8.211E-02 2.700E+01 -3.500E-01 1.675E+00 -5.250E-01 12 8 4 Mg9 4.902E+00 5.039E-02 6.611E+01 -4.250E-01 8.500E-01 0.000E+00 12 9 3 Mg10 1.119E+01 1.056E-02 1.167E+03 -3.250E-01 4.750E-01 0.000E+00 12 10 2 Mg11 9.540E-03 1.224E-02 3.580E-01 -2.250E-01 5.500E-01 0.000E+00 12 11 1 Mg12 2.090E+00 1.499E-03 2.713E+02 -5.000E-01 1.000E-01 -3.500E-01 12 12 0 Mg13 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 1.725E+00 -5.000E-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 9.616E-08 8.361E+02 6.713E-08 -5.000E-01 1.700E+00 -2.750E-01 13 4 9 Al5 1.074E+00 6.039E-02 5.806E+00 -4.750E-01 1.125E+00 -6.500E-01 13 5 8 Al6 2.164E+00 6.213E-02 -1.444E+01 -4.250E-01 1.225E+00 -8.750E-01 13 6 7 Al7 1.785E+00 9.337E-02 -4.682E+01 -3.000E-01 2.000E+00 -6.000E-01 13 7 6 Al8 1.607E+00 1.201E-01 -3.572E+01 -2.500E-01 2.000E+00 -6.000E-01 13 8 5 Al9 2.095E+00 8.568E-02 -6.805E+01 -2.000E-01 1.600E+00 0.000E+00 13 9 4 Al10 3.671E+00 3.870E-02 1.348E+01 -3.500E-01 1.350E+00 0.000E+00 13 10 3 Al11 6.465E+00 8.563E-03 1.648E+03 -2.250E-01 1.125E+00 0.000E+00 13 11 2 Al12 9.984E-03 6.641E-03 5.886E-01 -3.750E-01 2.500E-01 0.000E+00 13 12 1 Al13 6.920E-01 1.370E-03 -6.657E+02 -1.250E-01 1.000E-01 -4.750E-01 13 13 0 Al14 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 2.000E+00 -1.000E+00 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 1.304E+01 3.193E-02 1.379E+02 -4.250E-01 8.250E-01 -8.000E-01 14 4 10 Si5 7.659E-06 2.715E+01 1.289E-05 -1.000E-01 1.175E+00 -2.500E-02 14 5 9 Si6 9.980E-01 6.516E-02 -2.108E+00 -4.250E-01 1.975E+00 0.000E+00 14 6 8 Si7 1.393E+00 7.451E-02 7.642E+00 -3.500E-01 7.250E-01 -8.750E-01 14 7 7 Si8 1.730E+00 9.736E-02 1.564E+01 -3.250E-01 7.000E-01 -9.750E-01 14 8 6 Si9 2.968E+00 7.029E-02 3.245E+01 -3.250E-01 1.000E+00 -6.250E-01 14 9 5 Si10 5.625E+00 3.698E-02 2.523E+02 -3.000E-01 1.000E-01 -7.750E-01 14 10 4 Si11 9.554E+00 1.405E-02 5.144E+02 -3.250E-01 4.000E-01 -4.750E-01 14 11 3 Si12 7.214E+00 5.826E-03 6.672E+02 -2.750E-01 1.050E+00 -2.750E-01 14 12 2 Si13 8.871E-03 4.762E-03 1.281E+00 -1.000E-01 7.750E-01 0.000E+00 14 13 1 Si14 4.143E-01 1.107E-03 1.115E+03 -5.000E-01 1.000E-01 0.000E+00 14 14 0 Si15 0.000E+00 0.000E+00 0.000E+00 -1.000E-01 1.000E-01 0.000E+00 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 -4.500E-01 16 2 14 S3 4.673E-01 3.523E-01 7.124E-01 -4.500E-01 2.750E-01 -5.750E-01 16 3 13 S4 2.955E+00 1.848E-01 -1.261E+01 -4.250E-01 9.000E-01 -8.750E-01 16 4 12 S5 5.949E+00 1.132E-01 -3.182E+00 -3.750E-01 2.000E-01 -1.175E+00 16 5 11 S6 1.952E+00 9.720E-02 2.391E+01 -3.500E-01 5.750E-01 -7.250E-01 16 6 10 S7 3.372E-03 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1.935E-03 8.821E-01 -5.000E-01 1.000E-01 0.000E+00 18 17 1 Ar18 2.892E-02 6.764E-04 1.632E+05 -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 2.851E-05 8.607E+01 1.363E-04 -5.000E-01 1.825E+00 -1.000E-01 20 3 17 Ca4 4.241E-01 5.082E-01 -3.927E-01 -5.000E-01 1.000E-01 0.000E+00 20 4 16 Ca5 7.052E+00 1.461E-01 -2.006E+02 -4.500E-01 1.500E+00 0.000E+00 20 5 15 Ca6 2.520E+01 1.159E-01 4.259E+02 -4.500E-01 1.875E+00 0.000E+00 20 6 14 Ca7 2.179E+01 1.232E-01 2.213E+03 -4.000E-01 2.000E+00 0.000E+00 20 7 13 Ca8 1.386E+01 1.239E-01 1.273E+03 -3.750E-01 2.000E+00 0.000E+00 20 8 12 Ca9 4.904E+00 1.408E-01 3.332E+02 -3.000E-01 1.000E-01 0.000E+00 20 9 11 Ca10 2.969E+00 6.702E-02 1.330E+02 -2.250E-01 3.500E-01 -9.000E-01 20 10 10 Ca11 1.325E-01 9.575E-02 1.476E+00 -1.250E-01 1.250E-01 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