NN00000 (Old style Overlap Parameters) Niobium (Nb) 1 (One atom type in this file) 16.5 0.5 (RCUT and SCREENL for 1-1 interactions) 9 (Orbitals for atom 1) 92.91 (Atomic Weight of Atom 1) 1.0 0.0 4.0 (formal spd valence occupancy for atom 1) 1.34108763834E+00 0 1 lambda (equation 7) 2.50726658593E-02 0 2 a_s (equation 9) 5.47470438930E+01 0 3 b_s (equation 9) 5.11140556175E+03 0 4 c_s (equation 9) 0.00000000000E+00 1 5 d_s (equation 9) 5.88564071207E-01 0 6 a_p (equation 9) 3.39986377689E+01 0 7 b_p (equation 9) 1.02038355165E+03 0 8 c_p (equation 9) 0.00000000000E+00 1 9 d_p (equation 9) 1.38198326927E-01 0 10 a_t2g (equation 9) 5.94293856775E+00 0 11 b_t2g (equation 9) 1.48747279317E+02 0 12 c_t2g (equation 9) 0.00000000000E+00 1 13 d_t2g (equation 9) 1.38198326927E-01 0 14 a_eg (equation 9) 5.94293856775E+00 0 15 b_eg (equation 9) 1.48747279317E+02 0 16 c_eg (equation 9) 0.00000000000E+00 1 17 d_eg (equation 9) -2.50991920576E+01 0 18 e_{ss sigma} (equation 11) (Hamiltonian) -4.82207867115E-01 0 19 f_{ss sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 20 fbar_{ss sigma} (equation 11) (Hamiltonian) 1.02758339948E+00 0 21 g_{ss sigma} (equation 11) (Hamiltonian) 1.53790244502E+00 0 22 e_{sp sigma} (equation 11) (Hamiltonian) 9.57856830484E-02 0 23 f_{sp sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 24 fbar_{sp sigma} (equation 11) (Hamiltonian) 7.66845915904E-01 0 25 g_{sp sigma} (equation 11) (Hamiltonian) 1.83668493824E+00 0 26 e_{pp sigma} (equation 11) (Hamiltonian) -8.85228790661E-02 0 27 f_{pp sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 28 fbar_{pp sigma} (equation 11) (Hamiltonian) 6.16705228156E-01 0 29 g_{pp sigma} (equation 11) (Hamiltonian) -5.05098223756E+01 0 30 e_{pp pi} (equation 11) (Hamiltonian) 6.76701741977E+00 0 31 f_{pp pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 32 fbar_{pp pi} (equation 11) (Hamiltonian) 1.15005798706E+00 0 33 g_{pp pi} (equation 11) (Hamiltonian) -8.21822461456E-01 0 34 e_{sd sigma} (equation 11) (Hamiltonian) -6.54204923000E-03 0 35 f_{sd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 36 fbar_{sd sigma} (equation 11) (Hamiltonian) 7.23214127706E-01 0 37 g_{sd sigma} (equation 11) (Hamiltonian) -2.56118404367E-01 0 38 e_{pd sigma} (equation 11) (Hamiltonian) -1.54813007774E-02 0 39 f_{pd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 40 fbar_{pd sigma} (equation 11) (Hamiltonian) 6.02643822011E-01 0 41 g_{pd sigma} (equation 11) (Hamiltonian) 2.13204850899E-01 0 42 e_{pd pi} (equation 11) (Hamiltonian) -9.42484208628E-03 0 43 f_{pd pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 44 fbar_{pd pi} (equation 11) (Hamiltonian) 6.92238897260E-01 0 45 g_{pd pi} (equation 11) (Hamiltonian) -1.53648405705E+00 0 46 e_{dd sigma} (equation 11) (Hamiltonian) 2.71429931759E-02 0 47 f_{dd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 48 fbar_{dd sigma} (equation 11) (Hamiltonian) 7.33957542271E-01 0 49 g_{dd sigma} (equation 11) (Hamiltonian) 2.78488244406E+00 0 50 e_{dd pi} (equation 11) (Hamiltonian) 5.06869204351E-02 0 51 f_{dd pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 52 fbar_{dd pi} (equation 11) (Hamiltonian) 8.57694945461E-01 0 53 g_{dd pi} (equation 11) (Hamiltonian) -3.45689813614E+01 0 54 e_{dd delta} (equation 11) (Hamiltonian) -1.27136618532E+01 0 55 f_{dd delta} (equation 11) (Hamiltonian) 0.00000000000E+00 1 56 fbar_{dd delta} (equation 11) (Hamiltonian) 1.29063437816E+00 0 57 g_{dd delta} (equation 11) (Hamiltonian) 3.19400287074E-01 0 58 e_{ss sigma} (equation 11) (Overlap) -6.04851036743E-04 0 59 f_{ss sigma} (equation 11) (Overlap) 0.00000000000E+00 1 60 fbar_{ss sigma} (equation 11) (Overlap) 7.44630078584E-01 0 61 g_{ss sigma} (equation 11) (Overlap) -1.98466093795E+03 0 62 e_{sp sigma} (equation 11) (Overlap) 1.59179181251E+02 0 63 f_{sp sigma} (equation 11) (Overlap) 0.00000000000E+00 1 64 fbar_{sp sigma} (equation 11) (Overlap) 1.34929190313E+00 0 65 g_{sp sigma} (equation 11) (Overlap) 4.02407223187E+00 0 66 e_{pp sigma} (equation 11) (Overlap) -4.80090588723E-03 0 67 f_{pp sigma} (equation 11) (Overlap) 0.00000000000E+00 1 68 fbar_{pp sigma} (equation 11) (Overlap) 8.84239729161E-01 0 69 g_{pp sigma} (equation 11) (Overlap) -6.84290638279E-01 0 70 e_{pp pi} (equation 11) (Overlap) 2.91907705278E-01 0 71 f_{pp pi} (equation 11) (Overlap) 0.00000000000E+00 1 72 fbar_{pp pi} (equation 11) (Overlap) 2.75731696940E+00 0 73 g_{pp pi} (equation 11) (Overlap) 2.67688502794E+00 0 74 e_{sd sigma} (equation 11) (Overlap) 2.37408501825E-01 0 75 f_{sd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 76 fbar_{sd sigma} (equation 11) (Overlap) 8.09335661396E-01 0 77 g_{sd sigma} (equation 11) (Overlap) 5.73767141450E-01 0 78 e_{pd sigma} (equation 11) (Overlap) -3.90244234073E-02 0 79 f_{pd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 80 fbar_{pd sigma} (equation 11) (Overlap) 5.08339892535E-01 0 81 g_{pd sigma} (equation 11) (Overlap) 6.15636132331E-01 0 82 e_{pd pi} (equation 11) (Overlap) -2.16620428639E-01 0 83 f_{pd pi} (equation 11) (Overlap) 0.00000000000E+00 1 84 fbar_{pd pi} (equation 11) (Overlap) 7.64261257602E-01 0 85 g_{pd pi} (equation 11) (Overlap) -3.43652811674E-01 0 86 e_{dd sigma} (equation 11) (Overlap) 1.55909010323E-01 0 87 f_{dd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 88 fbar_{dd sigma} (equation 11) (Overlap) 6.65039077586E-01 0 89 g_{dd sigma} (equation 11) (Overlap) -1.88523733537E+00 0 90 e_{dd pi} (equation 11) (Overlap) 2.56520670317E-02 0 91 f_{dd pi} (equation 11) (Overlap) 0.00000000000E+00 1 92 fbar_{dd pi} (equation 11) (Overlap) 7.54927365552E-01 0 93 g_{dd pi} (equation 11) (Overlap) 2.48973891907E-01 0 94 e_{dd delta} (equation 11) (Overlap) -2.44330932395E-02 0 95 f_{dd delta} (equation 11) (Overlap) 0.00000000000E+00 1 96 fbar_{dd delta} (equation 11) (Overlap) 5.59223420404E-01 0 97 g_{dd delta} (equation 11) (Overlap)