NN00000 (Old style Overlap Parameters) Zirconium (Zr) 1 (One atom type in this file) 16.5 0.5 (RCUT and SCREENL for 1-1 interactions) 9 (Orbitals for atom 1) 91.22 (Atomic Weight of Atom 1) 2.0 0.0 2.0 (formal spd valence occupancy for atom 1) 9.92096059656E-01 0 1 lambda (equation 7) 4.56861752420E-01 0 2 a_s (equation 9) -1.73979911546E+00 0 3 b_s (equation 9) -2.37835088426E+01 0 4 c_s (equation 9) 2.45157257391E+02 0 5 d_s (equation 9) 3.26015549255E-01 0 6 a_p (equation 9) 3.35603441177E+00 0 7 b_p (equation 9) 9.35235675105E+00 0 8 c_p (equation 9) -3.24915482043E+01 0 9 d_p (equation 9) 1.09229381764E-01 0 10 a_t2g (equation 9) 1.61113227425E+00 0 11 b_t2g (equation 9) -6.46583004478E+00 0 12 c_t2g (equation 9) 1.91259436423E+01 0 13 d_t2g (equation 9) 1.09229381764E-01 0 14 a_eg (equation 9) 1.61113227425E+00 0 15 b_eg (equation 9) -6.46583004478E+00 0 16 c_eg (equation 9) 1.91259436423E+01 0 17 d_eg (equation 9) 5.69334640120E+00 0 18 e_{ss sigma} (equation 11) (Hamiltonian) -1.57119983561E+00 0 19 f_{ss sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 20 fbar_{ss sigma} (equation 11) (Hamiltonian) 8.41752697268E-01 0 21 g_{ss sigma} (equation 11) (Hamiltonian) -1.05736824759E+00 0 22 e_{sp sigma} (equation 11) (Hamiltonian) 3.53419884661E-01 0 23 f_{sp sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 24 fbar_{sp sigma} (equation 11) (Hamiltonian) 7.03266091325E-01 0 25 g_{sp sigma} (equation 11) (Hamiltonian) 1.38018139265E+00 0 26 e_{pp sigma} (equation 11) (Hamiltonian) -8.27718075522E-02 0 27 f_{pp sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 28 fbar_{pp sigma} (equation 11) (Hamiltonian) 5.42648068623E-01 0 29 g_{pp sigma} (equation 11) (Hamiltonian) 4.92810146222E+00 0 30 e_{pp pi} (equation 11) (Hamiltonian) 1.43919007696E+01 0 31 f_{pp pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 32 fbar_{pp pi} (equation 11) (Hamiltonian) 1.27121388065E+00 0 33 g_{pp pi} (equation 11) (Hamiltonian) 3.28602272855E-01 0 34 e_{sd sigma} (equation 11) (Hamiltonian) -1.96274807554E-01 0 35 f_{sd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 36 fbar_{sd sigma} (equation 11) (Hamiltonian) 6.91551935676E-01 0 37 g_{sd sigma} (equation 11) (Hamiltonian) 5.43133804880E+00 0 38 e_{pd sigma} (equation 11) (Hamiltonian) -1.54334168552E+00 0 39 f_{pd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 40 fbar_{pd sigma} (equation 11) (Hamiltonian) 8.11930690424E-01 0 41 g_{pd sigma} (equation 11) (Hamiltonian) -3.09334210625E-03 0 42 e_{pd pi} (equation 11) (Hamiltonian) 2.47269529008E-03 0 43 f_{pd pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 44 fbar_{pd pi} (equation 11) (Hamiltonian) 5.14095538604E-01 0 45 g_{pd pi} (equation 11) (Hamiltonian) -9.18974469114E-01 0 46 e_{dd sigma} (equation 11) (Hamiltonian) -4.92553443464E-02 0 47 f_{dd sigma} (equation 11) (Hamiltonian) 0.00000000000E+00 1 48 fbar_{dd sigma} (equation 11) (Hamiltonian) 7.03930176716E-01 0 49 g_{dd sigma} (equation 11) (Hamiltonian) 1.05904022587E+00 0 50 e_{dd pi} (equation 11) (Hamiltonian) 1.63147821837E-01 0 51 f_{dd pi} (equation 11) (Hamiltonian) 0.00000000000E+00 1 52 fbar_{dd pi} (equation 11) (Hamiltonian) 8.00179388874E-01 0 53 g_{dd pi} (equation 11) (Hamiltonian) 3.58548045816E+01 0 54 e_{dd delta} (equation 11) (Hamiltonian) -8.49136616704E+00 0 55 f_{dd delta} (equation 11) (Hamiltonian) 0.00000000000E+00 1 56 fbar_{dd delta} (equation 11) (Hamiltonian) 1.10660208369E+00 0 57 g_{dd delta} (equation 11) (Hamiltonian) -1.30199611362E+00 0 58 e_{ss sigma} (equation 11) (Overlap) 2.30501382142E+00 0 59 f_{ss sigma} (equation 11) (Overlap) 0.00000000000E+00 1 60 fbar_{ss sigma} (equation 11) (Overlap) 8.99383252822E-01 0 61 g_{ss sigma} (equation 11) (Overlap) 4.30489305666E+02 0 62 e_{sp sigma} (equation 11) (Overlap) -1.10041186048E+02 0 63 f_{sp sigma} (equation 11) (Overlap) 0.00000000000E+00 1 64 fbar_{sp sigma} (equation 11) (Overlap) 1.12375201238E+00 0 65 g_{sp sigma} (equation 11) (Overlap) 8.90408386062E-01 0 66 e_{pp sigma} (equation 11) (Overlap) 1.00989355539E+00 0 67 f_{pp sigma} (equation 11) (Overlap) 0.00000000000E+00 1 68 fbar_{pp sigma} (equation 11) (Overlap) 9.08075094560E-01 0 69 g_{pp sigma} (equation 11) (Overlap) 2.23042819467E+01 0 70 e_{pp pi} (equation 11) (Overlap) 1.29973951297E+01 0 71 f_{pp pi} (equation 11) (Overlap) 0.00000000000E+00 1 72 fbar_{pp pi} (equation 11) (Overlap) 1.20161007465E+00 0 73 g_{pp pi} (equation 11) (Overlap) -8.21444206040E+02 0 74 e_{sd sigma} (equation 11) (Overlap) 1.91012796264E+02 0 75 f_{sd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 76 fbar_{sd sigma} (equation 11) (Overlap) 1.14321133470E+00 0 77 g_{sd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 78 e_{pd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 79 f_{pd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 80 fbar_{pd sigma} (equation 11) (Overlap) 1.00000000000E+00 1 81 g_{pd sigma} (equation 11) (Overlap) 3.66168088053E+01 0 82 e_{pd pi} (equation 11) (Overlap) -9.03816997933E+00 0 83 f_{pd pi} (equation 11) (Overlap) 0.00000000000E+00 1 84 fbar_{pd pi} (equation 11) (Overlap) 9.83871610474E-01 0 85 g_{pd pi} (equation 11) (Overlap) -4.84660298941E+01 0 86 e_{dd sigma} (equation 11) (Overlap) 1.17933795484E+01 0 87 f_{dd sigma} (equation 11) (Overlap) 0.00000000000E+00 1 88 fbar_{dd sigma} (equation 11) (Overlap) 1.02194225912E+00 0 89 g_{dd sigma} (equation 11) (Overlap) 1.56703731822E+02 0 90 e_{dd pi} (equation 11) (Overlap) -3.85905612370E+01 0 91 f_{dd pi} (equation 11) (Overlap) 0.00000000000E+00 1 92 fbar_{dd pi} (equation 11) (Overlap) 1.10151104843E+00 0 93 g_{dd pi} (equation 11) (Overlap) -1.14799995729E+01 0 94 e_{dd delta} (equation 11) (Overlap) 5.38230612041E+00 0 95 f_{dd delta} (equation 11) (Overlap) 0.00000000000E+00 1 96 fbar_{dd delta} (equation 11) (Overlap) 1.11935157524E+00 0 97 g_{dd delta} (equation 11) (Overlap)