NN00000 (Old style Overlap Parameters) Molybdenum (Mo) 1 (One atom type in this file) 16.5 0.5 (RCUT and SCREENL for 1-1 interactions) 9 (Orbitals for atom 1) 95.94 (Atomic Weight of Atom 1) 1.0 0.0 5.0 (formal spd valence occupancy for atom 1) 1.35071532168E+00 0 1 lambda (equation 7) 8.66826405712E-02 0 2 a_s (equation 9) 6.34194657764E+01 0 3 b_s (equation 9) 9.36508593914E+02 0 4 c_s (equation 9) 0.00000000000E+00 1 5 d_s (equation 9) 7.20980657721E-01 0 6 a_p (equation 9) 2.78880458044E+01 0 7 b_p (equation 9) 1.72325469329E+03 0 8 c_p (equation 9) 0.00000000000E+00 1 9 d_p (equation 9) 1.02178881726E-01 0 10 a_t2g (equation 9) 3.21725081064E+00 0 11 b_t2g (equation 9) 1.61073753403E+02 0 12 c_t2g (equation 9) 0.00000000000E+00 1 13 d_t2g (equation 9) 1.02178881726E-01 0 14 a_eg (equation 9) 3.21725081064E+00 0 15 b_eg (equation 9) 1.61073753403E+02 0 16 c_eg (equation 9) 0.00000000000E+00 1 17 d_eg (equation 9) -7.59133703453E-01 0 18 e_{ss sigma} (equation 11) (Hamiltonian) -2.42754971712E+00 0 19 f_{ss sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 20 fbar_{ss sigma} (equation 11) (Hamiltonian) 9.86586833304E-01 0 21 g_{ss sigma} (equation 11) (Hamiltonian) 1.28783784971E+00 0 22 e_{sp sigma} (equation 11) (Hamiltonian) 2.35355766678E-01 0 23 f_{sp sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 24 fbar_{sp sigma} (equation 11) (Hamiltonian) 7.88791924480E-01 0 25 g_{sp sigma} (equation 11) (Hamiltonian) 1.79716345081E+00 0 26 e_{pp sigma} (equation 11) (Hamiltonian) 2.95321246721E-02 0 27 f_{pp sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 28 fbar_{pp sigma} (equation 11) (Hamiltonian) 6.71699733000E-01 0 29 g_{pp sigma} (equation 11) (Hamiltonian) -2.22509795483E+01 0 30 e_{pp pi} (equation 11) (Hamiltonian) 1.82240588783E+00 0 31 f_{pp pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 32 fbar_{pp pi} (equation 11) (Hamiltonian) 1.05311363780E+00 0 33 g_{pp pi} (equation 11) (Hamiltonian) -4.99282565189E-01 0 34 e_{sd sigma} (equation 11) (Hamiltonian) 3.80005364634E-02 0 35 f_{sd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 36 fbar_{sd sigma} (equation 11) (Hamiltonian) 6.83391236960E-01 0 37 g_{sd sigma} (equation 11) (Hamiltonian) 7.47595136107E-02 0 38 e_{pd sigma} (equation 11) (Hamiltonian) -5.07410170264E-02 0 39 f_{pd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 40 fbar_{pd sigma} (equation 11) (Hamiltonian) 6.03739353650E-01 0 41 g_{pd sigma} (equation 11) (Hamiltonian) 5.98714782656E-01 0 42 e_{pd pi} (equation 11) (Hamiltonian) -2.22007992481E-02 0 43 f_{pd pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 44 fbar_{pd pi} (equation 11) (Hamiltonian) 7.39072635099E-01 0 45 g_{pd pi} (equation 11) (Hamiltonian) -1.32544529210E+00 0 46 e_{dd sigma} (equation 11) (Hamiltonian) -8.68652269739E-03 0 47 f_{dd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 48 fbar_{dd sigma} (equation 11) (Hamiltonian) 7.61080843633E-01 0 49 g_{dd sigma} (equation 11) (Hamiltonian) 3.48251091448E+00 0 50 e_{dd pi} (equation 11) (Hamiltonian) -1.22045384456E-01 0 51 f_{dd pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 52 fbar_{dd pi} (equation 11) (Hamiltonian) 8.56524176035E-01 0 53 g_{dd pi} (equation 11) (Hamiltonian) -7.40530515589E-01 0 54 e_{dd delta} (equation 11) (Hamiltonian) 7.15056787119E-02 0 55 f_{dd delta} (equation 11) (Hamiltonian) 0.00000000000E+00 1 56 fbar_{dd delta} (equation 11) (Hamiltonian) 7.76693731137E-01 0 57 g_{dd delta} (equation 11) (Hamiltonian) 3.05255842222E+02 0 58 e_{ss sigma} (equation 11) (Overlap) -3.52014844780E+01 0 59 f_{ss sigma} (equation 11) (Overlap) 0.00000000000E+00 1 60 fbar_{ss sigma} (equation 11) (Overlap) 1.26104702557E+00 0 61 g_{ss sigma} (equation 11) (Overlap) 1.32679329477E+03 0 62 e_{sp sigma} (equation 11) (Overlap) -4.00480161169E+02 0 63 f_{sp sigma} (equation 11) (Overlap) 0.00000000000E+00 1 64 fbar_{sp sigma} (equation 11) (Overlap) 1.33379251436E+00 0 65 g_{sp sigma} (equation 11) (Overlap) 1.10983126074E+00 0 66 e_{pp sigma} (equation 11) (Overlap) -3.32011641463E-01 0 67 f_{pp sigma} (equation 11) (Overlap) 0.00000000000E+00 1 68 fbar_{pp sigma} (equation 11) (Overlap) 6.46624544830E-01 0 69 g_{pp sigma} (equation 11) (Overlap) -1.58173644917E+00 0 70 e_{pp pi} (equation 11) (Overlap) 3.04289291840E-01 0 71 f_{pp pi} (equation 11) (Overlap) 0.00000000000E+00 1 72 fbar_{pp pi} (equation 11) (Overlap) 6.45587845872E-01 0 73 g_{pp pi} (equation 11) (Overlap) 4.31740498765E-01 0 74 e_{sd sigma} (equation 11) (Overlap) 1.31467026929E-01 0 75 f_{sd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 76 fbar_{sd sigma} (equation 11) (Overlap) 6.84816546611E-01 0 77 g_{sd sigma} (equation 11) (Overlap) 4.03349964394E-01 0 78 e_{pd sigma} (equation 11) (Overlap) -3.04019974132E-02 0 79 f_{pd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 80 fbar_{pd sigma} (equation 11) (Overlap) 3.85789791519E-01 0 81 g_{pd sigma} (equation 11) (Overlap) 4.48953014258E-01 0 82 e_{pd pi} (equation 11) (Overlap) -1.59315484182E-01 0 83 f_{pd pi} (equation 11) (Overlap) 0.00000000000E+00 1 84 fbar_{pd pi} (equation 11) (Overlap) 7.32117805464E-01 0 85 g_{pd pi} (equation 11) (Overlap) 2.47289359884E-01 0 86 e_{dd sigma} (equation 11) (Overlap) -1.72561990673E-02 0 87 f_{dd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 88 fbar_{dd sigma} (equation 11) (Overlap) 4.36792502029E-01 0 89 g_{dd sigma} (equation 11) (Overlap) -7.55890712580E-01 0 90 e_{dd pi} (equation 11) (Overlap) 5.55713251945E-02 0 91 f_{dd pi} (equation 11) (Overlap) 0.00000000000E+00 1 92 fbar_{dd pi} (equation 11) (Overlap) 6.03482729089E-01 0 93 g_{dd pi} (equation 11) (Overlap) 1.21646184834E+00 0 94 e_{dd delta} (equation 11) (Overlap) 6.30984805300E-03 0 95 f_{dd delta} (equation 11) (Overlap) 0.00000000000E+00 1 96 fbar_{dd delta} (equation 11) (Overlap) 8.82481765662E-01 0 97 g_{dd delta} (equation 11) (Overlap)