# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Wu-Y-Yan-G-Yu-P-et-al--Hf-Nb-Zr-Ti-Ta # implementation = 2026--Wu-Y--Hf-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = NbTi3 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2026-06-16 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 2.519436777e+02 nan nan 1.14 2.327753972e+02 nan nan 1.16 2.150985503e+02 nan nan 1.18 1.987814252e+02 nan nan 1.20 1.837096773e+02 nan nan 1.22 1.697890083e+02 nan nan 1.24 1.569316391e+02 nan nan 1.26 1.450465271e+02 2.186837289e+02 nan 1.28 1.340453049e+02 2.034041623e+02 2.308347798e+02 1.30 1.238545275e+02 1.891977191e+02 2.151232045e+02 1.32 1.144128782e+02 1.759784402e+02 2.005128988e+02 1.34 1.056610877e+02 1.636764313e+02 1.869163851e+02 1.36 9.754270808e+01 1.522337070e+02 1.742567023e+02 1.38 9.000750789e+01 1.415943955e+02 1.624653958e+02 1.40 8.301136898e+01 1.316990390e+02 1.514785141e+02 1.42 7.651662997e+01 1.224872180e+02 1.412338853e+02 1.44 7.048985658e+01 1.139033635e+02 1.316716890e+02 1.46 6.489776154e+01 1.058994723e+02 1.227361218e+02 1.48 5.971112173e+01 9.843155001e+01 1.143765342e+02 1.50 5.490317488e+01 9.145599355e+01 1.065485206e+02 1.52 5.044360132e+01 8.493202809e+01 9.921474648e+01 1.54 4.630445018e+01 7.882501180e+01 9.234422892e+01 1.56 4.245941010e+01 7.310641779e+01 8.590951964e+01 1.58 3.888494930e+01 6.775200601e+01 7.988403728e+01 1.60 3.556232634e+01 6.273976065e+01 7.424176276e+01 1.62 3.247689878e+01 5.805476919e+01 6.895915123e+01 1.64 2.961470589e+01 5.367927201e+01 6.401600548e+01 1.66 2.695958494e+01 4.959365886e+01 5.939571258e+01 1.68 2.449315334e+01 4.577910767e+01 5.508489065e+01 1.70 2.219762050e+01 4.221825866e+01 5.106054898e+01 1.72 2.005860036e+01 3.889611585e+01 4.729764329e+01 1.74 1.806545322e+01 3.579941011e+01 4.377313195e+01 1.76 1.620970281e+01 3.291456543e+01 4.046800680e+01 1.78 1.448333979e+01 3.022615750e+01 3.736639406e+01 1.80 1.287811123e+01 2.771762235e+01 3.445520470e+01 1.82 1.138583967e+01 2.537365468e+01 3.172390887e+01 1.84 9.999172629e+00 2.318193011e+01 2.916352470e+01 1.86 8.712001125e+00 2.113274340e+01 2.676555260e+01 1.88 7.519240434e+00 1.921766744e+01 2.452164732e+01 1.90 6.416325914e+00 1.742883293e+01 2.242356820e+01 1.92 5.398775906e+00 1.575899677e+01 2.046283437e+01 1.94 4.461832745e+00 1.420162458e+01 1.863053412e+01 1.96 3.600107898e+00 1.275065673e+01 1.691790917e+01 1.98 2.807401109e+00 1.140012526e+01 1.531722058e+01 2.00 2.077052394e+00 1.014378572e+01 1.382186576e+01 2.02 1.402766978e+00 8.974873025e+00 1.242564334e+01 2.04 7.793565617e-01 7.886204922e+00 1.112207160e+01 2.06 2.029646365e-01 6.870816314e+00 9.904487733e+00 2.08 -3.291220529e-01 5.922805514e+00 8.766759937e+00 2.10 -8.188658497e-01 5.037687601e+00 7.703797327e+00 2.12 -1.267965830e+00 4.211958269e+00 6.711426916e+00 2.14 -1.678286150e+00 3.442270529e+00 5.785917200e+00 2.16 -2.052102061e+00 2.724901782e+00 4.923594699e+00 2.18 -2.392085885e+00 2.055861307e+00 4.120785593e+00 2.20 -2.701159849e+00 1.431469831e+00 3.373943553e+00 2.22 -2.982387449e+00 8.488538573e-01 2.679784355e+00 2.24 -3.238917434e+00 3.060034574e-01 2.035246751e+00 2.26 -3.473844232e+00 -1.985102554e-01 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-4.842197929e+00 -4.416255735e+00 2.64 -5.406437913e+00 -4.951444336e+00 -4.555131814e+00 2.66 -5.407187276e+00 -5.050410957e+00 -4.679938575e+00 2.68 -5.402433410e+00 -5.139926156e+00 -4.791502687e+00 2.70 -5.393204581e+00 -5.220566444e+00 -4.890911152e+00 2.72 -5.379939743e+00 -5.292412042e+00 -4.979525840e+00 2.74 -5.363025692e+00 -5.355110281e+00 -5.058890127e+00 2.76 -5.342759168e+00 -5.408848898e+00 -5.130596077e+00 2.78 -5.319310953e+00 -5.454187950e+00 -5.195909118e+00 2.80 -5.292722443e+00 -5.491630775e+00 -5.254385935e+00 2.82 -5.262929725e+00 -5.521619453e+00 -5.306133528e+00 2.84 -5.229811782e+00 -5.544532536e+00 -5.351600902e+00 2.86 -5.193229854e+00 -5.560692126e+00 -5.391012886e+00 2.88 -5.153066634e+00 -5.570387739e+00 -5.424475847e+00 2.90 -5.109235878e+00 -5.573879592e+00 -5.452008895e+00 2.92 -5.061691300e+00 -5.571485845e+00 -5.473592832e+00 2.94 -5.010425811e+00 -5.563476463e+00 -5.489256330e+00 2.96 -4.955473466e+00 -5.550075597e+00 -5.499056692e+00 2.98 -4.896915850e+00 -5.531213611e+00 -5.503109268e+00 3.00 -4.834891977e+00 -5.506849289e+00 -5.501875217e+00 3.02 -4.769605004e+00 -5.476991955e+00 -5.495959588e+00 3.04 -4.701315204e+00 -5.441699732e+00 -5.485631879e+00 3.06 -4.630310713e+00 -5.401075621e+00 -5.471262187e+00 3.08 -4.556857389e+00 -5.355256155e+00 -5.453260688e+00 3.10 -4.481143614e+00 -5.304397011e+00 -5.432001093e+00 3.12 -4.403242475e+00 -5.248704627e+00 -5.407762315e+00 3.14 -4.323108920e+00 -5.188492523e+00 -5.380706471e+00 3.16 -4.240615301e+00 -5.124247689e+00 -5.350890801e+00 3.18 -4.155616930e+00 -5.056660828e+00 -5.318301135e+00 3.20 -4.068032564e+00 -4.986585844e+00 -5.282883611e+00 3.22 -3.977920001e+00 -4.914928517e+00 -5.244572374e+00 3.24 -3.885524494e+00 -4.842506407e+00 -5.203303517e+00 3.26 -3.791279736e+00 -4.769938624e+00 -5.159019427e+00 3.28 -3.695755197e+00 -4.697603354e+00 -5.111666199e+00 3.30 -3.599567304e+00 -4.625663369e+00 -5.061187371e+00 3.32 -3.503295623e+00 -4.554130890e+00 -5.007516834e+00 3.34 -3.407428230e+00 -4.482937966e+00 -4.950573476e+00 3.36 -3.312362313e+00 -4.411992857e+00 -4.890260457e+00 3.38 -3.218431321e+00 -4.341209113e+00 -4.826472298e+00 3.40 -3.125942681e+00 -4.270518606e+00 -4.759113222e+00 3.42 -3.035191013e+00 -4.199869148e+00 -4.688129253e+00 3.44 -2.946461033e+00 -4.129215704e+00 -4.613553754e+00 3.46 -2.860014203e+00 -4.058510551e+00 -4.535558299e+00 3.48 -2.776078525e+00 -3.987694573e+00 -4.454505920e+00 3.50 -2.694835945e+00 -3.916691769e+00 -4.370960449e+00 3.52 -2.616422175e+00 -3.845406779e+00 -4.285668389e+00 3.54 -2.540925665e+00 -3.773725884e+00 -4.199480348e+00 3.56 -2.468389505e+00 -3.701521275e+00 -4.113238214e+00 3.58 -2.398813554e+00 -3.628659060e+00 -4.027659552e+00 3.60 -2.332158454e+00 -3.555011744e+00 -3.943255268e+00 3.62 -2.268350165e+00 -3.480475677e+00 -3.860301196e+00 3.64 -2.207286059e+00 -3.404993570e+00 -3.778861561e+00 3.66 -2.148841526e+00 -3.328579987e+00 -3.698845766e+00 3.68 -2.092876726e+00 -3.251345496e+00 -3.620075591e+00 3.70 -2.039243100e+00 -3.173512322e+00 -3.542345610e+00 3.72 -1.987788945e+00 -3.095413914e+00 -3.465468468e+00 3.74 -1.938364098e+00 -3.017473066e+00 -3.389303318e+00 3.76 -1.890823501e+00 -2.940160425e+00 -3.313769997e+00 3.78 -1.845029628e+00 -2.863942597e+00 -3.238852586e+00 3.80 -1.800854132e+00 -2.789233670e+00 -3.164595436e+00 3.82 -1.758178514e+00 -2.716362220e+00 -3.091094126e+00 3.84 -1.716894360e+00 -2.645559299e+00 -3.018483301e+00 3.86 -1.676902418e+00 -2.576963990e+00 -2.946921780e+00 3.88 -1.638114439e+00 -2.510643722e+00 -2.876582112e+00 3.90 -1.600448631e+00 -2.446609533e+00 -2.807630000e+00 3.92 -1.563831520e+00 -2.384837038e+00 -2.740216151e+00 3.94 -1.528196498e+00 -2.325278242e+00 -2.674464832e+00 3.96 -1.493483078e+00 -2.267869446e+00 -2.610466532e+00 3.98 -1.459636377e+00 -2.212535513e+00 -2.548273606e+00 4.00 -1.426606614e+00 -2.159192300e+00 -2.487899161e+00 4.02 -1.394348836e+00 -2.107748710e+00 -2.429318889e+00 4.04 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-1.581588282e+00 4.40 -8.953114670e-01 -1.375641421e+00 -1.544196020e+00 4.42 -8.741488271e-01 -1.345863339e+00 -1.508099162e+00 4.44 -8.534314582e-01 -1.316728672e+00 -1.473276636e+00 4.46 -8.331474368e-01 -1.288219584e+00 -1.439679143e+00 4.48 -8.132836625e-01 -1.260319368e+00 -1.407248293e+00 4.50 -7.938257045e-01 -1.233012262e+00 -1.375906999e+00 4.52 -7.747576228e-01 -1.206283306e+00 -1.345578015e+00 4.54 -7.560617563e-01 -1.180118214e+00 -1.316185677e+00 4.56 -7.377184996e-01 -1.154503249e+00 -1.287659097e+00 4.58 -7.197060346e-01 -1.129425128e+00 -1.259933931e+00 4.60 -7.020000664e-01 -1.104870928e+00 -1.232953064e+00 4.62 -6.845735495e-01 -1.080827987e+00 -1.206666560e+00 4.64 -6.673964335e-01 -1.057283820e+00 -1.181031183e+00 4.66 -6.504354874e-01 -1.034226033e+00 -1.156009691e+00 4.68 -6.336542063e-01 -1.011642219e+00 -1.131570051e+00 4.70 -6.170129367e-01 -9.895198706e-01 -1.107684659e+00 4.72 -6.004692432e-01 -9.678449615e-01 -1.084329628e+00 4.74 -5.839786903e-01 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-2.153500639e-01 -3.202236954e-01 5.82 -4.991932851e-02 -2.082967075e-01 -3.099613374e-01 5.84 -4.776231499e-02 -2.011082093e-01 -2.994572245e-01 5.86 -4.565541639e-02 -1.937570098e-01 -2.886765181e-01 5.88 -4.357977572e-02 -1.862190318e-01 -2.775884316e-01 5.90 -4.151962635e-02 -1.784748199e-01 -2.661685195e-01 5.92 -3.946244470e-02 -1.705111455e-01 -2.544013349e-01 5.94 -3.739911844e-02 -1.623237987e-01 -2.422832420e-01 5.96 -3.532413013e-02 -1.539187551e-01 -2.298251825e-01 5.98 -3.323572388e-02 -1.453137675e-01 -2.170551979e-01 6.00 -3.113599512e-02 -1.365395839e-01 -2.040203455e-01