# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2001--Lee-B-J-Baskes-M-I-Kim-H-Cho-Y-K--Nb # implementation = 2001--Lee-B-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 2022-05-24 r Nb Nb 0.02 1.031338600e+02 0.04 9.794412332e+01 0.06 9.285628720e+01 0.08 8.789190398e+01 0.10 8.306674161e+01 0.12 7.839193878e+01 0.14 7.387494313e+01 0.16 6.952027173e+01 0.18 6.533012687e+01 0.20 6.130489414e+01 0.22 5.744354420e+01 0.24 5.374395681e+01 0.26 5.020318112e+01 0.28 4.681764471e+01 0.30 4.358332066e+01 0.32 4.049586094e+01 0.34 3.755070233e+01 0.36 3.474315029e+01 0.38 3.206844495e+01 0.40 2.952181274e+01 0.42 2.709850652e+01 0.44 2.479383630e+01 0.46 2.260319270e+01 0.48 2.052206437e+01 0.50 1.854605070e+01 0.52 1.667087083e+01 0.54 1.489236960e+01 0.56 1.320652128e+01 0.58 1.160943135e+01 0.60 1.009733697e+01 0.62 8.666606236e+00 0.64 7.313736681e+00 0.66 6.035353099e+00 0.68 4.828204934e+00 0.70 3.689163269e+00 0.72 2.615217648e+00 0.74 1.603472680e+00 0.76 6.511445882e-01 0.78 -2.444423092e-01 0.80 -1.085859115e+00 0.82 -1.875575853e+00 0.84 -2.615964927e+00 0.86 -3.309304510e+00 0.88 -3.957781884e+00 0.90 -4.563496672e+00 0.92 -5.128464014e+00 0.94 -5.654617626e+00 0.96 -6.143812795e+00 0.98 -6.597829255e+00 1.00 -7.018373996e+00 1.02 -7.407083963e+00 1.04 -7.765528671e+00 1.06 -8.095212741e+00 1.08 -8.397578328e+00 1.10 -8.674007491e+00 1.12 -8.925824456e+00 1.14 -9.154297823e+00 1.16 -9.360642668e+00 1.18 -9.546022602e+00 1.20 -9.711551729e+00 1.22 -9.858296552e+00 1.24 -9.987277800e+00 1.26 -1.009947220e+01 1.28 -1.019581417e+01 1.30 -1.027719746e+01 1.32 -1.034447675e+01 1.34 -1.039846916e+01 1.36 -1.043995571e+01 1.38 -1.046968275e+01 1.40 -1.048836331e+01 1.42 -1.049667841e+01 1.44 -1.049527835e+01 1.46 -1.048478391e+01 1.48 -1.046578749e+01 1.50 -1.043885428e+01 1.52 -1.040452335e+01 1.54 -1.036330865e+01 1.56 -1.031570005e+01 1.58 -1.026216429e+01 1.60 -1.020314591e+01 1.62 -1.013906815e+01 1.64 -1.007033380e+01 1.66 -9.997326026e+00 1.68 -9.920409161e+00 1.70 -9.839929459e+00 1.72 -9.756215826e+00 1.74 -9.669580519e+00 1.76 -9.580319810e+00 1.78 -9.488714629e+00 1.80 -9.395031176e+00 1.82 -9.299521501e+00 1.84 -9.202424068e+00 1.86 -9.103964285e+00 1.88 -9.004355010e+00 1.90 -8.903797034e+00 1.92 -8.802479539e+00 1.94 -8.700580533e+00 1.96 -8.598267259e+00 1.98 -8.495696581e+00 2.00 -8.393015354e+00 2.02 -8.290360758e+00 2.04 -8.187860624e+00 2.06 -8.085633731e+00 2.08 -7.983790078e+00 2.10 -7.882431145e+00 2.12 -7.781650124e+00 2.14 -7.681532131e+00 2.16 -7.582154406e+00 2.18 -7.483586481e+00 2.20 -7.385890340e+00 2.22 -7.289120555e+00 2.24 -7.193324411e+00 2.26 -7.098542011e+00 2.28 -7.004806371e+00 2.30 -6.912143501e+00 2.32 -6.820572483e+00 2.34 -6.730105537e+00 2.36 -6.640748090e+00 2.38 -6.552498845e+00 2.40 -6.465349861e+00 2.42 -6.379286642e+00 2.44 -6.294288249e+00 2.46 -6.210327438e+00 2.48 -6.127370834e+00 2.50 -6.045379150e+00 2.52 -5.964307454e+00 2.54 -5.884105504e+00 2.56 -5.804718151e+00 2.58 -5.726085825e+00 2.60 -5.648145107e+00 2.62 -5.570829395e+00 2.64 -5.494069675e+00 2.66 -5.417795380e+00 2.68 -5.341935358e+00 2.70 -5.266418918e+00 2.72 -5.191176966e+00 2.74 -5.116143183e+00 2.76 -5.041255256e+00 2.78 -4.966456097e+00 2.80 -4.891695044e+00 2.82 -4.816928990e+00 2.84 -4.742123399e+00 2.86 -4.667253175e+00 2.88 -4.592303339e+00 2.90 -4.517269475e+00 2.92 -4.442157932e+00 2.94 -4.366985742e+00 2.96 -4.291780267e+00 2.98 -4.216578562e+00 3.00 -4.141426489e+00 3.02 -4.066377603e+00 3.04 -3.991491847e+00 3.06 -3.916834124e+00 3.08 -3.842472777e+00 3.10 -3.768478064e+00 3.12 -3.694920656e+00 3.14 -3.621870237e+00 3.16 -3.549394238e+00 3.18 -3.477556740e+00 3.20 -3.406417587e+00 3.22 -3.336031708e+00 3.24 -3.266448653e+00 3.26 -3.197712344e+00 3.28 -3.129861018e+00 3.30 -3.062927331e+00 3.32 -2.996938606e+00 3.34 -2.931917184e+00 3.36 -2.867880844e+00 3.38 -2.804843275e+00 3.40 -2.742814545e+00 3.42 -2.681801575e+00 3.44 -2.621808579e+00 3.46 -2.562837460e+00 3.48 -2.504888165e+00 3.50 -2.447958988e+00 3.52 -2.392046823e+00 3.54 -2.337147372e+00 3.56 -2.283255314e+00 3.58 -2.230364442e+00 3.60 -2.178467773e+00 3.62 -2.127557635e+00 3.64 -2.077625744e+00 3.66 -2.028663263e+00 3.68 -1.980660855e+00 3.70 -1.933608731e+00 3.72 -1.887496694e+00 3.74 -1.842314176e+00 3.76 -1.798050277e+00 3.78 -1.754693795e+00 3.80 -1.712233262e+00 3.82 -1.670656971e+00 3.84 -1.629953008e+00 3.86 -1.590109275e+00 3.88 -1.551113517e+00 3.90 -1.512953346e+00 3.92 -1.471894144e+00 3.94 -1.381180738e+00 3.96 -1.124302423e+00 3.98 -5.800302940e-01 4.00 -5.829768066e-27 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 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