# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1987--Ackland-G-J-Thetford-R--Nb # implementation = 1987--Ackland-G-J--Nb--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 2025-12-17 r Nb Nb 0.02 1.030227948e+03 0.04 9.918237099e+02 0.06 9.546888005e+02 0.08 9.187854151e+02 0.10 8.840767777e+02 0.12 8.505271148e+02 0.14 8.181016306e+02 0.16 7.867664819e+02 0.18 7.564887538e+02 0.20 7.272364364e+02 0.22 6.989784017e+02 0.24 6.716843809e+02 0.26 6.453249427e+02 0.28 6.198714719e+02 0.30 5.952961482e+02 0.32 5.715719263e+02 0.34 5.486725155e+02 0.36 5.265723605e+02 0.38 5.052466227e+02 0.40 4.846711610e+02 0.42 4.648225147e+02 0.44 4.456778849e+02 0.46 4.272151182e+02 0.48 4.094126894e+02 0.50 3.922496852e+02 0.52 3.757057885e+02 0.54 3.597612625e+02 0.56 3.443969358e+02 0.58 3.295941875e+02 0.60 3.153349325e+02 0.62 3.016016078e+02 0.64 2.883771585e+02 0.66 2.756450244e+02 0.68 2.633891269e+02 0.70 2.515938566e+02 0.72 2.402440600e+02 0.74 2.293250285e+02 0.76 2.188224855e+02 0.78 2.087225756e+02 0.80 1.990118529e+02 0.82 1.896772702e+02 0.84 1.807061684e+02 0.86 1.720862658e+02 0.88 1.638056480e+02 0.90 1.558527582e+02 0.92 1.482163871e+02 0.94 1.408856640e+02 0.96 1.338500471e+02 0.98 1.270993148e+02 1.00 1.206235569e+02 1.02 1.144131661e+02 1.04 1.084588297e+02 1.06 1.027515213e+02 1.08 9.728249322e+01 1.10 9.204326874e+01 1.12 8.702563441e+01 1.14 8.222163289e+01 1.16 7.762355582e+01 1.18 7.322393686e+01 1.20 6.901554494e+01 1.22 6.499137764e+01 1.24 6.114465482e+01 1.26 5.746881233e+01 1.28 5.395749591e+01 1.30 5.060455527e+01 1.32 4.740403833e+01 1.34 4.435018550e+01 1.36 4.143742430e+01 1.38 3.866036390e+01 1.40 3.601379003e+01 1.42 3.349265978e+01 1.44 3.109209677e+01 1.46 2.880738628e+01 1.48 2.663397055e+01 1.50 2.456744427e+01 1.52 2.260355009e+01 1.54 2.073817431e+01 1.56 1.896734266e+01 1.58 1.728721620e+01 1.60 1.569408733e+01 1.62 1.418437590e+01 1.64 1.275462541e+01 1.66 1.140149936e+01 1.68 1.012177761e+01 1.70 8.912352944e+00 1.72 7.770227633e+00 1.74 6.692510145e+00 1.76 5.676411921e+00 1.78 4.719244248e+00 1.80 3.818415205e+00 1.82 2.971426705e+00 1.84 2.175871600e+00 1.86 1.429430885e+00 1.88 7.298709591e-01 1.90 7.504097123e-02 1.92 -5.371297628e-01 1.94 -1.108634273e+00 1.96 -1.641390387e+00 1.98 -2.137243094e+00 2.00 -2.597966874e+00 2.02 -3.025267930e+00 2.04 -3.420786386e+00 2.06 -3.786098406e+00 2.08 -4.122718268e+00 2.10 -4.432100362e+00 2.12 -4.715641158e+00 2.14 -4.974681086e+00 2.16 -5.210506404e+00 2.18 -5.424350969e+00 2.20 -5.617397999e+00 2.22 -5.790781757e+00 2.24 -5.945589190e+00 2.26 -6.082861552e+00 2.28 -6.203595933e+00 2.30 -6.308746775e+00 2.32 -6.399227353e+00 2.34 -6.475911181e+00 2.36 -6.539633398e+00 2.38 -6.591192120e+00 2.40 -6.631349746e+00 2.42 -6.660834213e+00 2.44 -6.680340228e+00 2.46 -6.690530467e+00 2.48 -6.692036738e+00 2.50 -6.685461102e+00 2.52 -6.671376963e+00 2.54 -6.650330128e+00 2.56 -6.622839834e+00 2.58 -6.589399751e+00 2.60 -6.550478949e+00 2.62 -6.506522834e+00 2.64 -6.457954064e+00 2.66 -6.405173430e+00 2.68 -6.348560713e+00 2.70 -6.288475515e+00 2.72 -6.225258067e+00 2.74 -6.159230005e+00 2.76 -6.090695135e+00 2.78 -6.019940160e+00 2.80 -5.947235396e+00 2.82 -5.872835467e+00 2.84 -5.796979981e+00 2.86 -5.719894140e+00 2.88 -5.641741795e+00 2.90 -5.562526937e+00 2.92 -5.482224009e+00 2.94 -5.400809285e+00 2.96 -5.318260955e+00 2.98 -5.234558820e+00 3.00 -5.149684356e+00 3.02 -5.063620949e+00 3.04 -4.976354222e+00 3.06 -4.887870968e+00 3.08 -4.798159557e+00 3.10 -4.707211237e+00 3.12 -4.615018389e+00 3.14 -4.521574094e+00 3.16 -4.426876021e+00 3.18 -4.330920818e+00 3.20 -4.233707421e+00 3.22 -4.135239795e+00 3.24 -4.035516542e+00 3.26 -3.934548772e+00 3.28 -3.832335626e+00 3.30 -3.728894531e+00 3.32 -3.624224839e+00 3.34 -3.518352808e+00 3.36 -3.411272589e+00 3.38 -3.303028325e+00 3.40 -3.193596890e+00 3.42 -3.083051227e+00 3.44 -2.971348506e+00 3.46 -2.858542104e+00 3.48 -2.744721633e+00 3.50 -2.629670715e+00 3.52 -2.513734307e+00 3.54 -2.396006040e+00 3.56 -2.274275887e+00 3.58 -2.154321457e+00 3.60 -2.041064662e+00 3.62 -1.940169989e+00 3.64 -1.838842404e+00 3.66 -1.721118057e+00 3.68 -1.578208608e+00 3.70 -1.406778277e+00 3.72 -1.211547170e+00 3.74 -1.010490793e+00 3.76 -8.175144211e-01 3.78 -6.415137532e-01 3.80 -4.875780807e-01 3.82 -3.580479223e-01 3.84 -2.534271349e-01 3.86 -1.731494998e-01 3.88 -1.161997827e-01 3.90 -8.158926711e-02 3.92 -6.810383344e-02 3.94 -6.096669302e-02 3.96 -5.388192405e-02 3.98 -4.691891569e-02 4.00 -4.014884800e-02 4.02 -3.364469190e-02 4.04 -2.748120920e-02 4.06 -2.173495260e-02 4.08 -1.648426569e-02 4.10 -1.180928294e-02 4.12 -7.791929703e-03 4.14 -4.515922222e-03 4.16 -2.066767622e-03 4.18 -5.317639157e-04 4.20 2.590360422e-09 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 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