# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2013--Ravelo-R-Germann-T-C-Guerrero-O-et-al--Ta-1 # implementation = 2013--Ravelo-R--Ta-1--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Ta Ta 0.02 3.073511877e+02 0.04 2.945523343e+02 0.06 2.822548298e+02 0.08 2.704396342e+02 0.10 2.590884147e+02 0.12 2.481835201e+02 0.14 2.377079551e+02 0.16 2.276453574e+02 0.18 2.179799736e+02 0.20 2.086966375e+02 0.22 1.997807485e+02 0.24 1.912182506e+02 0.26 1.829956129e+02 0.28 1.750998099e+02 0.30 1.675183033e+02 0.32 1.602390238e+02 0.34 1.532503544e+02 0.36 1.465411131e+02 0.38 1.401005374e+02 0.40 1.339182687e+02 0.42 1.279843375e+02 0.44 1.222891489e+02 0.46 1.168234690e+02 0.48 1.115784116e+02 0.50 1.065454251e+02 0.52 1.017162804e+02 0.54 9.708305910e+01 0.56 9.263814159e+01 0.58 8.837419640e+01 0.60 8.428416938e+01 0.62 8.036127343e+01 0.64 7.659897864e+01 0.66 7.299100275e+01 0.68 6.953130196e+01 0.70 6.621406207e+01 0.72 6.303368998e+01 0.74 5.998480545e+01 0.76 5.706223320e+01 0.78 5.426099527e+01 0.80 5.157630369e+01 0.82 4.900355339e+01 0.84 4.653831539e+01 0.86 4.417633021e+01 0.88 4.191350159e+01 0.90 3.974589032e+01 0.92 3.766970843e+01 0.94 3.568131351e+01 0.96 3.377720326e+01 0.98 3.195401024e+01 1.00 3.020849682e+01 1.02 2.853755029e+01 1.04 2.693817821e+01 1.06 2.540750385e+01 1.08 2.394276186e+01 1.10 2.254129408e+01 1.12 2.120054548e+01 1.14 1.991806030e+01 1.16 1.869147831e+01 1.18 1.751853118e+01 1.20 1.639703899e+01 1.22 1.532490697e+01 1.24 1.430012217e+01 1.26 1.332075045e+01 1.28 1.238493344e+01 1.30 1.149088569e+01 1.32 1.063689189e+01 1.34 9.821304224e+00 1.36 9.042539761e+00 1.38 8.299078032e+00 1.40 7.589458626e+00 1.42 6.912278901e+00 1.44 6.266191786e+00 1.46 5.649903652e+00 1.48 5.062172271e+00 1.50 4.501804847e+00 1.52 3.967656125e+00 1.54 3.458626563e+00 1.56 2.973660585e+00 1.58 2.511744882e+00 1.60 2.071906795e+00 1.62 1.653212743e+00 1.64 1.254766723e+00 1.66 8.757088565e-01 1.68 5.152139939e-01 1.70 1.724903746e-01 1.72 -1.532216672e-01 1.74 -4.626509456e-01 1.76 -7.564966198e-01 1.78 -1.035429345e+00 1.80 -1.300092383e+00 1.82 -1.551102663e+00 1.84 -1.789051814e+00 1.86 -2.014507148e+00 1.88 -2.228012610e+00 1.90 -2.430089693e+00 1.92 -2.621238319e+00 1.94 -2.801937680e+00 1.96 -2.972647055e+00 1.98 -3.133806591e+00 2.00 -3.285838060e+00 2.02 -3.429145579e+00 2.04 -3.564116307e+00 2.06 -3.691121119e+00 2.08 -3.810515247e+00 2.10 -3.922638901e+00 2.12 -4.027817396e+00 2.14 -4.126361419e+00 2.16 -4.218571673e+00 2.18 -4.304736803e+00 2.20 -4.385131981e+00 2.22 -4.460010061e+00 2.24 -4.529622139e+00 2.26 -4.594211417e+00 2.28 -4.654013166e+00 2.30 -4.709217200e+00 2.32 -4.759949878e+00 2.34 -4.806316410e+00 2.36 -4.848453235e+00 2.38 -4.886541572e+00 2.40 -4.920756027e+00 2.42 -4.951247767e+00 2.44 -4.978154925e+00 2.46 -5.001620767e+00 2.48 -5.021778552e+00 2.50 -5.038751536e+00 2.52 -5.052658241e+00 2.54 -5.063611106e+00 2.56 -5.071716764e+00 2.58 -5.077076322e+00 2.60 -5.079785628e+00 2.62 -5.079935531e+00 2.64 -5.077612131e+00 2.66 -5.072897034e+00 2.68 -5.065867580e+00 2.70 -5.056597088e+00 2.72 -5.045155075e+00 2.74 -5.031607481e+00 2.76 -5.016016885e+00 2.78 -4.998442714e+00 2.80 -4.978941445e+00 2.82 -4.957566811e+00 2.84 -4.934369989e+00 2.86 -4.909399791e+00 2.88 -4.882702374e+00 2.90 -4.854316532e+00 2.92 -4.824270314e+00 2.94 -4.792582919e+00 2.96 -4.759266838e+00 2.98 -4.724329745e+00 3.00 -4.687776146e+00 3.02 -4.649608825e+00 3.04 -4.609830083e+00 3.06 -4.568442801e+00 3.08 -4.525451335e+00 3.10 -4.480862265e+00 3.12 -4.434685006e+00 3.14 -4.386932290e+00 3.16 -4.337620549e+00 3.18 -4.286770184e+00 3.20 -4.234405757e+00 3.22 -4.180556096e+00 3.24 -4.125254335e+00 3.26 -4.068537889e+00 3.28 -4.010448379e+00 3.30 -3.951031506e+00 3.32 -3.890336894e+00 3.34 -3.828417887e+00 3.36 -3.765331335e+00 3.38 -3.701137344e+00 3.40 -3.635899015e+00 3.42 -3.569682170e+00 3.44 -3.502555065e+00 3.46 -3.434588103e+00 3.48 -3.365853539e+00 3.50 -3.296425189e+00 3.52 -3.226378139e+00 3.54 -3.155788462e+00 3.56 -3.084732937e+00 3.58 -3.013288781e+00 3.60 -2.941533391e+00 3.62 -2.869544089e+00 3.64 -2.797397889e+00 3.66 -2.725171273e+00 3.68 -2.652939975e+00 3.70 -2.580778785e+00 3.72 -2.508761366e+00 3.74 -2.436960079e+00 3.76 -2.365445831e+00 3.78 -2.294287930e+00 3.80 -2.223553955e+00 3.82 -2.153309642e+00 3.84 -2.083618779e+00 3.86 -2.014543116e+00 3.88 -1.946142287e+00 3.90 -1.878473745e+00 3.92 -1.811592701e+00 3.94 -1.745552084e+00 3.96 -1.680402503e+00 3.98 -1.616192217e+00 4.00 -1.552967123e+00 4.02 -1.490770740e+00 4.04 -1.429644207e+00 4.06 -1.369626286e+00 4.08 -1.310753370e+00 4.10 -1.253059496e+00 4.12 -1.196576362e+00 4.14 -1.141333348e+00 4.16 -1.087357541e+00 4.18 -1.034673760e+00 4.20 -9.833045833e-01 4.22 -9.332703801e-01 4.24 -8.845893373e-01 4.26 -8.372774908e-01 4.28 -7.913487538e-01 4.30 -7.468149455e-01 4.32 -7.036858178e-01 4.34 -6.619690807e-01 4.36 -6.216704257e-01 4.38 -5.827935461e-01 4.40 -5.453401566e-01 4.42 -5.093100080e-01 4.44 -4.747009013e-01 4.46 -4.415086974e-01 4.48 -4.097273250e-01 4.50 -3.793487854e-01 4.52 -3.503631553e-01 4.54 -3.227585867e-01 4.56 -2.965213061e-01 4.58 -2.716356108e-01 4.60 -2.480838656e-01 4.62 -2.258464982e-01 4.64 -2.049019078e-01 4.66 -1.852264043e-01 4.68 -1.667948620e-01 4.70 -1.495801723e-01 4.72 -1.335532052e-01 4.74 -1.186828372e-01 4.76 -1.049359533e-01 4.78 -9.227679232e-02 4.80 -8.066839407e-02 4.82 -7.007233358e-02 4.84 -6.044836840e-02 4.86 -5.175452411e-02 4.88 -4.394719221e-02 4.90 -3.698124236e-02 4.92 -3.081015069e-02 4.94 -2.538614642e-02 4.96 -2.066037866e-02 4.98 -1.658310550e-02 5.00 -1.310390752e-02 5.02 -1.017192778e-02 5.04 -7.736140490e-03 5.06 -5.745650285e-03 5.08 -4.150024446e-03 5.10 -2.899660004e-03 5.12 -1.946187905e-03 5.14 -1.242916315e-03 5.16 -7.453151903e-04 5.18 -4.115442125e-04 5.20 -2.030262596e-04 5.22 -8.506857061e-05 5.24 -2.753383861e-05 5.26 -5.563515420e-06 5.28 -3.556897398e-07 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00