# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2022--Sun-Y-Zhang-F-Mendelev-M-I-et-al--Fe # implementation = 2022--Sun-Y--Fe--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 Fe Fe 0.02 4.000000000e+13 0.04 1.500000000e+13 0.06 6.666666669e+12 0.08 2.500000002e+12 0.10 3.225217773e+04 0.12 3.210323964e+04 0.14 2.440268945e+04 0.16 1.902173497e+04 0.18 1.512014436e+04 0.20 1.220950602e+04 0.22 9.988482065e+03 0.24 8.262169813e+03 0.26 6.899612084e+03 0.28 5.810026567e+03 0.30 4.928828624e+03 0.32 4.209059870e+03 0.34 3.615939942e+03 0.36 3.123295153e+03 0.38 2.711154304e+03 0.40 2.364092401e+03 0.42 2.070066362e+03 0.44 1.819581974e+03 0.46 1.605088496e+03 0.48 1.420532555e+03 0.50 1.261025350e+03 0.52 1.122591610e+03 0.54 1.001978314e+03 0.56 8.965076129e+02 0.58 8.039627947e+02 0.60 7.224991845e+02 0.62 6.505740334e+02 0.64 5.868909837e+02 0.66 5.303558078e+02 0.68 4.800409266e+02 0.70 4.351568114e+02 0.72 3.950288124e+02 0.74 3.590782937e+02 0.76 3.268072002e+02 0.78 2.977853768e+02 0.80 2.716401031e+02 0.82 2.480474216e+02 0.84 2.267249229e+02 0.86 2.074257195e+02 0.88 1.899333944e+02 0.90 1.740577514e+02 0.92 1.596312268e+02 0.94 1.465058505e+02 0.96 1.345506623e+02 0.98 1.236495102e+02 1.00 1.136991736e+02 1.02 1.043848251e+02 1.04 9.548764320e+01 1.06 8.704697999e+01 1.08 7.908976736e+01 1.10 7.163184930e+01 1.12 6.467939226e+01 1.14 5.823030741e+01 1.16 5.227563739e+01 1.18 4.680087038e+01 1.20 4.178715512e+01 1.22 3.721239908e+01 1.24 3.305224010e+01 1.26 2.928088851e+01 1.28 2.587184145e+01 1.30 2.279847556e+01 1.32 2.003452677e+01 1.34 1.755446762e+01 1.36 1.533379372e+01 1.38 1.334923130e+01 1.40 1.157887724e+01 1.42 1.000228297e+01 1.44 8.600492180e+00 1.46 7.356041786e+00 1.48 6.252934222e+00 1.50 5.276588202e+00 1.52 4.424313237e+00 1.54 3.689771769e+00 1.56 3.055731335e+00 1.58 2.507165085e+00 1.60 2.031031159e+00 1.62 1.616068007e+00 1.64 1.252604925e+00 1.66 9.323870750e-01 1.68 6.484142748e-01 1.70 3.947928665e-01 1.72 1.665999890e-01 1.74 -4.024040779e-02 1.76 -2.290704501e-01 1.78 -4.026007525e-01 1.80 -5.630029655e-01 1.82 -7.119930514e-01 1.84 -8.509058609e-01 1.86 -9.807615715e-01 1.88 -1.102324526e+00 1.90 -1.216154999e+00 1.92 -1.322654393e+00 1.94 -1.422104361e+00 1.96 -1.514700328e+00 1.98 -1.600579857e+00 2.00 -1.679846319e+00 2.02 -1.752588271e+00 2.04 -1.818894959e+00 2.06 -1.878868328e+00 2.08 -1.932631918e+00 2.10 -1.980336991e+00 2.12 -2.022166239e+00 2.14 -2.058335379e+00 2.16 -2.089092960e+00 2.18 -2.114718643e+00 2.20 -2.135520249e+00 2.22 -2.151829806e+00 2.24 -2.163998859e+00 2.26 -2.172393225e+00 2.28 -2.177387434e+00 2.30 -2.179359012e+00 2.32 -2.178682793e+00 2.34 -2.175725404e+00 2.36 -2.170840052e+00 2.38 -2.164361746e+00 2.40 -2.156603040e+00 2.42 -2.147850392e+00 2.44 -2.138361193e+00 2.46 -2.128361534e+00 2.48 -2.118044723e+00 2.50 -2.107570587e+00 2.52 -2.097065546e+00 2.54 -2.086623448e+00 2.56 -2.076307125e+00 2.58 -2.066150621e+00 2.60 -2.056162025e+00 2.62 -2.046326823e+00 2.64 -2.036611658e+00 2.66 -2.026968397e+00 2.68 -2.017338351e+00 2.70 -2.007656496e+00 2.72 -1.997855544e+00 2.74 -1.987869652e+00 2.76 -1.977637579e+00 2.78 -1.967105065e+00 2.80 -1.956226202e+00 2.82 -1.944963681e+00 2.84 -1.933289315e+00 2.86 -1.921184330e+00 2.88 -1.908638387e+00 2.90 -1.895648533e+00 2.92 -1.882218229e+00 2.94 -1.868356451e+00 2.96 -1.854076843e+00 2.98 -1.839396950e+00 3.00 -1.824337502e+00 3.02 -1.808921754e+00 3.04 -1.793174896e+00 3.06 -1.777123495e+00 3.08 -1.760795007e+00 3.10 -1.744217334e+00 3.12 -1.727418412e+00 3.14 -1.710425866e+00 3.16 -1.693266694e+00 3.18 -1.675966991e+00 3.20 -1.658551709e+00 3.22 -1.641044461e+00 3.24 -1.623467355e+00 3.26 -1.605840855e+00 3.28 -1.588183674e+00 3.30 -1.570512698e+00 3.32 -1.552842932e+00 3.34 -1.535187472e+00 3.36 -1.517557496e+00 3.38 -1.499962282e+00 3.40 -1.482409237e+00 3.42 -1.464903952e+00 3.44 -1.447450270e+00 3.46 -1.430050362e+00 3.48 -1.412704800e+00 3.50 -1.395412678e+00 3.52 -1.378171747e+00 3.54 -1.360978543e+00 3.56 -1.343828403e+00 3.58 -1.326715715e+00 3.60 -1.309634130e+00 3.62 -1.292576417e+00 3.64 -1.275534891e+00 3.66 -1.258501541e+00 3.68 -1.241467797e+00 3.70 -1.224425413e+00 3.72 -1.207365625e+00 3.74 -1.190280378e+00 3.76 -1.173161349e+00 3.78 -1.156001220e+00 3.80 -1.138792520e+00 3.82 -1.121529353e+00 3.84 -1.104205361e+00 3.86 -1.086816629e+00 3.88 -1.069358413e+00 3.90 -1.051828639e+00 3.92 -1.034225534e+00 3.94 -1.016547890e+00 3.96 -9.987981015e-01 3.98 -9.809766758e-01 4.00 -9.630870581e-01 4.02 -9.451361432e-01 4.04 -9.271273834e-01 4.06 -9.090682636e-01 4.08 -8.909707324e-01 4.10 -8.728426450e-01 4.12 -8.546927526e-01 4.14 -8.365367067e-01 4.16 -8.183927740e-01 4.18 -8.002675561e-01 4.20 -7.821753294e-01 4.22 -7.641381933e-01 4.24 -7.461808309e-01 4.26 -7.283163285e-01 4.28 -7.105419699e-01 4.30 -6.928881514e-01 4.32 -6.753873146e-01 4.34 -6.580720645e-01 4.36 -6.409606394e-01 4.38 -6.238011200e-01 4.40 -6.066766222e-01 4.42 -5.897975202e-01 4.44 -5.733322546e-01 4.46 -5.574130978e-01 4.48 -5.421411957e-01 4.50 -5.275909593e-01 4.52 -5.140223870e-01 4.54 -5.013090846e-01 4.56 -4.889947736e-01 4.58 -4.767348368e-01 4.60 -4.642771117e-01 4.62 -4.514451187e-01 4.64 -4.381235199e-01 4.66 -4.242455587e-01 4.68 -4.097822499e-01 4.70 -3.947331158e-01 4.72 -3.791182866e-01 4.74 -3.629050855e-01 4.76 -3.461979771e-01 4.78 -3.292325229e-01 4.80 -3.121856529e-01 4.82 -2.951847316e-01 4.84 -2.783301446e-01 4.86 -2.617136909e-01 4.88 -2.454199610e-01 4.90 -2.295260549e-01 4.92 -2.141012823e-01 4.94 -1.992068819e-01 4.96 -1.848957884e-01 4.98 -1.712124684e-01 5.00 -1.581928411e-01 5.02 -1.458642936e-01 5.04 -1.342457958e-01 5.06 -1.233481168e-01 5.08 -1.131741396e-01 5.10 -1.037192708e-01 5.12 -9.497193715e-02 5.14 -8.691415985e-02 5.16 -7.952219635e-02 5.18 -7.276723820e-02 5.20 -6.661615217e-02 5.22 -6.103225203e-02 5.24 -5.597608789e-02 5.26 -5.140624008e-02 5.28 -4.728010469e-02 5.30 -4.355465847e-02 5.32 -4.018719136e-02 5.34 -3.713599552e-02 5.36 -3.436100072e-02 5.38 -3.182434696e-02 5.40 -2.949088622e-02 5.42 -2.732860635e-02 5.44 -2.530897155e-02 5.46 -2.340717503e-02 5.48 -2.160230095e-02 5.50 -1.987739405e-02 5.52 -1.821943697e-02 5.54 -1.661923671e-02 5.56 -1.507122326e-02 5.58 -1.357316489e-02 5.60 -1.212580648e-02 5.62 -1.073243836e-02 5.64 -9.398405405e-03 5.66 -8.130567250e-03 5.68 -6.936722381e-03 5.70 -5.825010500e-03 5.72 -4.803309204e-03 5.74 -3.878642679e-03 5.76 -3.056621837e-03 5.78 -2.340936944e-03 5.80 -1.732925531e-03 5.82 -1.231240028e-03 5.84 -8.316412408e-04 5.86 -5.269455264e-04 5.88 -3.071551429e-04 5.90 -1.598029920e-04 5.92 -7.054462717e-05 5.94 -2.403209968e-05 5.96 -5.105894080e-06 5.98 -3.428939942e-07 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