NN00000 (Old style Overlap Parameters) Barium (Ba) 1 (One atom type in this file) 16.5 0.5 (RCUT and SCREENL for 1-1 interactions) 9 (Orbitals for atom 1) 137.34 (Atomic Weight of Atom 1) 2.0 0.0 0.0 (formal spd valence occupancy for atom 1) 1.11633875159E+00 0 1 lambda (equation 7) 1.50137740918E-01 0 2 a_s (equation 9) -1.53745006169E+01 0 3 b_s (equation 9) 1.56953568899E+03 0 4 c_s (equation 9) 0.00000000000E+00 1 5 d_s (equation 9) 1.28893563851E-01 0 6 a_p (equation 9) 2.72310117432E+01 0 7 b_p (equation 9) 1.64446302567E+03 0 8 c_p (equation 9) 0.00000000000E+00 1 9 d_p (equation 9) 1.82918823946E-01 0 10 a_t2g (equation 9) 9.59616988082E-01 0 11 b_t2g (equation 9) -9.73189782862E+01 0 12 c_t2g (equation 9) 0.00000000000E+00 1 13 d_t2g (equation 9) 1.82918823946E-01 0 14 a_eg (equation 9) 9.59616988082E-01 0 15 b_eg (equation 9) -9.73189782862E+01 0 16 c_eg (equation 9) 0.00000000000E+00 1 17 d_eg (equation 9) 1.07624862517E+02 0 18 e_{ss sigma} (equation 11) (Hamiltonian) -1.54756496189E+01 0 19 f_{ss sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 20 fbar_{ss sigma} (equation 11) (Hamiltonian) 8.83546565998E-01 0 21 g_{ss sigma} (equation 11) (Hamiltonian) -8.15023223029E+00 0 22 e_{sp sigma} (equation 11) (Hamiltonian) 1.18680095887E+00 0 23 f_{sp sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 24 fbar_{sp sigma} (equation 11) (Hamiltonian) 7.05573257039E-01 0 25 g_{sp sigma} (equation 11) (Hamiltonian) -7.65354284595E-01 0 26 e_{pp sigma} (equation 11) (Hamiltonian) 1.11811814391E-01 0 27 f_{pp sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 28 fbar_{pp sigma} (equation 11) (Hamiltonian) 5.22977874781E-01 0 29 g_{pp sigma} (equation 11) (Hamiltonian) -4.49769162331E+08 0 30 e_{pp pi} (equation 11) (Hamiltonian) 6.24772953689E+07 0 31 f_{pp pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 32 fbar_{pp pi} (equation 11) (Hamiltonian) 1.72686485282E+00 1 33 g_{pp pi} (equation 11) (Hamiltonian) 1.51803255931E+00 0 34 e_{sd sigma} (equation 11) (Hamiltonian) -3.17483526921E-01 0 35 f_{sd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 36 fbar_{sd sigma} (equation 11) (Hamiltonian) 7.01454902739E-01 0 37 g_{sd sigma} (equation 11) (Hamiltonian) 1.38944224720E+00 0 38 e_{pd sigma} (equation 11) (Hamiltonian) -1.70619398790E-01 0 39 f_{pd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 40 fbar_{pd sigma} (equation 11) (Hamiltonian) 5.57473546715E-01 0 41 g_{pd sigma} (equation 11) (Hamiltonian) 3.19178971546E-01 0 42 e_{pd pi} (equation 11) (Hamiltonian) -3.37340370465E-02 0 43 f_{pd pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 44 fbar_{pd pi} (equation 11) (Hamiltonian) 6.20945822180E-01 0 45 g_{pd pi} (equation 11) (Hamiltonian) 9.48343312785E+00 0 46 e_{dd sigma} (equation 11) (Hamiltonian) -1.44518084168E+00 0 47 f_{dd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 48 fbar_{dd sigma} (equation 11) (Hamiltonian) 7.49399573968E-01 0 49 g_{dd sigma} (equation 11) (Hamiltonian) -2.85791347685E+00 0 50 e_{dd pi} (equation 11) (Hamiltonian) 8.93926466998E-01 0 51 f_{dd pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 52 fbar_{dd pi} (equation 11) (Hamiltonian) 8.11058657835E-01 0 53 g_{dd pi} (equation 11) (Hamiltonian) 1.87062969554E+02 0 54 e_{dd delta} (equation 11) (Hamiltonian) -2.53043383032E+01 0 55 f_{dd delta} (equation 11) (Hamiltonian) 0.00000000000E+00 1 56 fbar_{dd delta} (equation 11) (Hamiltonian) 9.83611262840E-01 0 57 g_{dd delta} (equation 11) (Hamiltonian) 1.83721864833E+01 0 58 e_{ss sigma} (equation 11) (Overlap) -1.43244595561E+00 0 59 f_{ss sigma} (equation 11) (Overlap) 0.00000000000E+00 1 60 fbar_{ss sigma} (equation 11) (Overlap) 7.19224509608E-01 0 61 g_{ss sigma} (equation 11) (Overlap) 4.44201308151E+04 0 62 e_{sp sigma} (equation 11) (Overlap) -6.40797464655E+03 0 63 f_{sp sigma} (equation 11) (Overlap) 0.00000000000E+00 1 64 fbar_{sp sigma} (equation 11) (Overlap) 1.14903400444E+00 0 65 g_{sp sigma} (equation 11) (Overlap) -7.35149840618E+02 0 66 e_{pp sigma} (equation 11) (Overlap) -1.22331724156E+02 0 67 f_{pp sigma} (equation 11) (Overlap) 0.00000000000E+00 1 68 fbar_{pp sigma} (equation 11) (Overlap) 1.09529180304E+00 0 69 g_{pp sigma} (equation 11) (Overlap) -2.62750279674E+01 0 70 e_{pp pi} (equation 11) (Overlap) 1.77695939984E+01 0 71 f_{pp pi} (equation 11) (Overlap) 0.00000000000E+00 1 72 fbar_{pp pi} (equation 11) (Overlap) 9.13209182595E-01 0 73 g_{pp pi} (equation 11) (Overlap) -5.54362212802E+02 0 74 e_{sd sigma} (equation 11) (Overlap) 8.25381233892E+01 0 75 f_{sd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 76 fbar_{sd sigma} (equation 11) (Overlap) 9.13547768243E-01 0 77 g_{sd sigma} (equation 11) (Overlap) -1.98493667720E+02 0 78 e_{pd sigma} (equation 11) (Overlap) 3.13853003796E+01 0 79 f_{pd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 80 fbar_{pd sigma} (equation 11) (Overlap) 8.78900945829E-01 0 81 g_{pd sigma} (equation 11) (Overlap) 9.42420524811E+00 0 82 e_{pd pi} (equation 11) (Overlap) -1.77292540360E+00 0 83 f_{pd pi} (equation 11) (Overlap) 0.00000000000E+00 1 84 fbar_{pd pi} (equation 11) (Overlap) 6.93194365275E-01 0 85 g_{pd pi} (equation 11) (Overlap) -2.28080788402E+01 0 86 e_{dd sigma} (equation 11) (Overlap) 3.96598899225E+00 0 87 f_{dd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 88 fbar_{dd sigma} (equation 11) (Overlap) 7.50291707180E-01 0 89 g_{dd sigma} (equation 11) (Overlap) 1.30793800607E+02 0 90 e_{dd pi} (equation 11) (Overlap) -2.48945950424E+01 0 91 f_{dd pi} (equation 11) (Overlap) 0.00000000000E+00 1 92 fbar_{dd pi} (equation 11) (Overlap) 8.94080862499E-01 0 93 g_{dd pi} (equation 11) (Overlap) 1.07019787450E+04 0 94 e_{dd delta} (equation 11) (Overlap) -1.18878132626E+03 0 95 f_{dd delta} (equation 11) (Overlap) 0.00000000000E+00 1 96 fbar_{dd delta} (equation 11) (Overlap) 1.17918879833E+00 0 97 g_{dd delta} (equation 11) (Overlap)