# 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 = HfNbZr2 # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 3.314096062e+02 3.314096062e+02 1.28 3.089301692e+02 3.089301692e+02 1.30 2.880462074e+02 2.880462074e+02 1.32 2.686341448e+02 2.686341448e+02 1.34 2.505727455e+02 2.505727455e+02 1.36 2.337506678e+02 2.337506678e+02 1.38 2.180691396e+02 2.180691396e+02 1.40 2.034406244e+02 2.034406244e+02 1.42 1.897880658e+02 1.897880658e+02 1.44 1.770465704e+02 1.770465704e+02 1.46 1.651602047e+02 1.651602047e+02 1.48 1.540744951e+02 1.540744951e+02 1.50 1.437297517e+02 1.437297517e+02 1.52 1.340633474e+02 1.340633474e+02 1.54 1.250171997e+02 1.250171996e+02 1.56 1.165418749e+02 1.165418749e+02 1.58 1.085957509e+02 1.085957509e+02 1.60 1.011408349e+02 1.011408349e+02 1.62 9.414291094e+01 9.414291094e+01 1.64 8.757288835e+01 8.757288835e+01 1.66 8.140734223e+01 8.140734223e+01 1.68 7.562643455e+01 7.562643455e+01 1.70 7.021150617e+01 7.021150617e+01 1.72 6.514869791e+01 6.514869791e+01 1.74 6.042116599e+01 6.042116599e+01 1.76 5.600738087e+01 5.600738087e+01 1.78 5.188543325e+01 5.188543325e+01 1.80 4.803427616e+01 4.803427616e+01 1.82 4.443397512e+01 4.443397512e+01 1.84 4.106734548e+01 4.106734548e+01 1.86 3.791988254e+01 3.791988254e+01 1.88 3.497890986e+01 3.497890986e+01 1.90 3.223176477e+01 3.223176477e+01 1.92 2.966494674e+01 2.966494674e+01 1.94 2.726415023e+01 2.726415023e+01 1.96 2.501568866e+01 2.501568866e+01 1.98 2.290769979e+01 2.290769979e+01 2.00 2.093007526e+01 2.093007526e+01 2.02 1.907388957e+01 1.907388957e+01 2.04 1.733090558e+01 1.733090558e+01 2.06 1.569365771e+01 1.569365771e+01 2.08 1.415575935e+01 1.415575935e+01 2.10 1.271172908e+01 1.271172908e+01 2.12 1.135686221e+01 1.135686221e+01 2.14 1.008666714e+01 1.008666714e+01 2.16 8.896855878e+00 8.896855878e+00 2.18 7.782834543e+00 7.782834543e+00 2.20 6.739799919e+00 6.739799919e+00 2.22 5.763091262e+00 5.763091262e+00 2.24 4.848742448e+00 4.848742448e+00 2.26 3.993678036e+00 3.993678036e+00 2.28 3.195395971e+00 3.195395971e+00 2.30 2.451719746e+00 2.451719746e+00 2.32 1.759724546e+00 1.759724546e+00 2.34 1.115687252e+00 1.115687252e+00 2.36 5.155366306e-01 5.155366306e-01 2.38 -4.463772038e-02 -4.463772038e-02 2.40 -5.679570263e-01 -5.679570263e-01 2.42 -1.056847754e+00 -1.056847754e+00 2.44 -1.513161643e+00 -1.513161643e+00 2.46 -1.938400224e+00 -1.938400224e+00 2.48 -2.333917970e+00 -2.333917970e+00 2.50 -2.701094711e+00 -2.701094711e+00 2.52 -3.041477717e+00 -3.041477717e+00 2.54 -3.356868206e+00 -3.356868206e+00 2.56 -3.649310060e+00 -3.649310060e+00 2.58 -3.920910812e+00 -3.920910812e+00 2.60 -4.173904905e+00 -4.173904905e+00 2.62 -4.410055225e+00 -4.410055225e+00 2.64 -4.630807286e+00 -4.630807286e+00 2.66 -4.837139525e+00 -4.837139525e+00 2.68 -5.029608784e+00 -5.029608784e+00 2.70 -5.208504946e+00 -5.208504946e+00 2.72 -5.374049759e+00 -5.374049759e+00 2.74 -5.526479115e+00 -5.526479115e+00 2.76 -5.666331624e+00 -5.666331624e+00 2.78 -5.794085963e+00 -5.794085963e+00 2.80 -5.910381470e+00 -5.910381470e+00 2.82 -6.015921883e+00 -6.015921883e+00 2.84 -6.111353134e+00 -6.111353134e+00 2.86 -6.196588898e+00 -6.196588898e+00 2.88 -6.271463499e+00 -6.271463499e+00 2.90 -6.336249961e+00 -6.336249961e+00 2.92 -6.391832321e+00 -6.391832321e+00 2.94 -6.438963315e+00 -6.438963315e+00 2.96 -6.478234896e+00 -6.478234896e+00 2.98 -6.510128739e+00 -6.510128739e+00 3.00 -6.535034974e+00 -6.535034974e+00 3.02 -6.553495648e+00 -6.553495648e+00 3.04 -6.565795237e+00 -6.565795237e+00 3.06 -6.572309739e+00 -6.572309739e+00 3.08 -6.573669253e+00 -6.573669253e+00 3.10 -6.569724866e+00 -6.569724866e+00 3.12 -6.560333675e+00 -6.560333675e+00 3.14 -6.545411482e+00 -6.545411482e+00 3.16 -6.524849328e+00 -6.524849328e+00 3.18 -6.498546254e+00 -6.498546254e+00 3.20 -6.466423586e+00 -6.466423586e+00 3.22 -6.428438612e+00 -6.428438612e+00 3.24 -6.384600166e+00 -6.384600166e+00 3.26 -6.334981822e+00 -6.334981822e+00 3.28 -6.279728502e+00 -6.279728502e+00 3.30 -6.219054382e+00 -6.219054382e+00 3.32 -6.153236008e+00 -6.153236008e+00 3.34 -6.082586224e+00 -6.082586224e+00 3.36 -6.007559950e+00 -6.007559950e+00 3.38 -5.928624318e+00 -5.928624318e+00 3.40 -5.846395482e+00 -5.846395482e+00 3.42 -5.761619864e+00 -5.761619864e+00 3.44 -5.675148935e+00 -5.675148935e+00 3.46 -5.587872584e+00 -5.587872584e+00 3.48 -5.500624066e+00 -5.500624066e+00 3.50 -5.414086354e+00 -5.414086354e+00 3.52 -5.328728287e+00 -5.328728287e+00 3.54 -5.244786343e+00 -5.244786343e+00 3.56 -5.162288415e+00 -5.162288415e+00 3.58 -5.081103508e+00 -5.081103508e+00 3.60 -5.000999116e+00 -5.000999116e+00 3.62 -4.921692636e+00 -4.921692636e+00 3.64 -4.842890689e+00 -4.842890689e+00 3.66 -4.764315709e+00 -4.764315709e+00 3.68 -4.685722110e+00 -4.685722110e+00 3.70 -4.606905236e+00 -4.606905236e+00 3.72 -4.527705738e+00 -4.527705738e+00 3.74 -4.448010786e+00 -4.448010786e+00 3.76 -4.367753245e+00 -4.367753245e+00 3.78 -4.286908969e+00 -4.286908969e+00 3.80 -4.205492622e+00 -4.205492622e+00 3.82 -4.123552128e+00 -4.123552128e+00 3.84 -4.041163040e+00 -4.041163040e+00 3.86 -3.958377144e+00 -3.958377144e+00 3.88 -3.875415170e+00 -3.875415170e+00 3.90 -3.792358066e+00 -3.792358066e+00 3.92 -3.709370748e+00 -3.709370748e+00 3.94 -3.626651150e+00 -3.626651150e+00 3.96 -3.544438811e+00 -3.544438811e+00 3.98 -3.463020451e+00 -3.463020451e+00 4.00 -3.382728341e+00 -3.382728341e+00 4.02 -3.303943189e+00 -3.303943189e+00 4.04 -3.226855573e+00 -3.226855573e+00 4.06 -3.152172535e+00 -3.152172535e+00 4.08 -3.080003313e+00 -3.080003313e+00 4.10 -3.010565978e+00 -3.010565978e+00 4.12 -2.943981522e+00 -2.943981522e+00 4.14 -2.880273212e+00 -2.880273212e+00 4.16 -2.819378084e+00 -2.819378084e+00 4.18 -2.761165951e+00 -2.761165951e+00 4.20 -2.705460758e+00 -2.705460758e+00 4.22 -2.652060143e+00 -2.652060143e+00 4.24 -2.600750804e+00 -2.600750804e+00 4.26 -2.551319001e+00 -2.551319001e+00 4.28 -2.503556827e+00 -2.503556827e+00 4.30 -2.457265588e+00 -2.457265588e+00 4.32 -2.412257908e+00 -2.412257908e+00 4.34 -2.368359945e+00 -2.368359945e+00 4.36 -2.325414487e+00 -2.325414487e+00 4.38 -2.283284844e+00 -2.283284844e+00 4.40 -2.241858540e+00 -2.241858540e+00 4.42 -2.201049580e+00 -2.201049580e+00 4.44 -2.160798455e+00 -2.160798455e+00 4.46 -2.121069694e+00 -2.121069694e+00 4.48 -2.081847348e+00 -2.081847348e+00 4.50 -2.043129649e+00 -2.043129649e+00 4.52 -2.004923839e+00 -2.004923839e+00 4.54 -1.967241779e+00 -1.967241779e+00 4.56 -1.930096676e+00 -1.930096676e+00 4.58 -1.893500958e+00 -1.893500958e+00 4.60 -1.857465053e+00 -1.857465053e+00 4.62 -1.821996869e+00 -1.821996869e+00 4.64 -1.787101688e+00 -1.787101688e+00 4.66 -1.752782315e+00 -1.752782315e+00 4.68 -1.719039368e+00 -1.719039368e+00 4.70 -1.685871656e+00 -1.685871656e+00 4.72 -1.653178055e+00 -1.653178055e+00 4.74 -1.621168980e+00 -1.621168980e+00 4.76 -1.589719845e+00 -1.589719845e+00 4.78 -1.558825444e+00 -1.558825444e+00 4.80 -1.528479805e+00 -1.528479805e+00 4.82 -1.498676353e+00 -1.498676353e+00 4.84 -1.469408037e+00 -1.469408037e+00 4.86 -1.440667414e+00 -1.440667414e+00 4.88 -1.412446726e+00 -1.412446726e+00 4.90 -1.384737946e+00 -1.384737946e+00 4.92 -1.357532807e+00 -1.357532807e+00 4.94 -1.330822826e+00 -1.330822826e+00 4.96 -1.304599303e+00 -1.304599303e+00 4.98 -1.278853319e+00 -1.278853319e+00 5.00 -1.253575716e+00 -1.253575716e+00 5.02 -1.228757075e+00 -1.228757075e+00 5.04 -1.204387673e+00 -1.204387673e+00 5.06 -1.180457450e+00 -1.180457450e+00 5.08 -1.156955941e+00 -1.156955941e+00 5.10 -1.133872223e+00 -1.133872223e+00 5.12 -1.111194834e+00 -1.111194834e+00 5.14 -1.088911696e+00 -1.088911696e+00 5.16 -1.067010018e+00 -1.067010018e+00 5.18 -1.045476195e+00 -1.045476195e+00 5.20 -1.024295704e+00 -1.024295704e+00 5.22 -1.003452988e+00 -1.003452988e+00 5.24 -9.829313409e-01 -9.829313409e-01 5.26 -9.627128036e-01 -9.627128036e-01 5.28 -9.427780601e-01 -9.427780601e-01 5.30 -9.231063721e-01 -9.231063721e-01 5.32 -9.036755334e-01 -9.036755334e-01 5.34 -8.844618988e-01 -8.844618988e-01 5.36 -8.654404742e-01 -8.654404742e-01 5.38 -8.465851285e-01 -8.465851285e-01 5.40 -8.278689346e-01 -8.278689346e-01 5.42 -8.092646860e-01 -8.092646860e-01 5.44 -7.907456288e-01 -7.907456288e-01 5.46 -7.722864092e-01 -7.722864092e-01 5.48 -7.538643092e-01 -7.538643092e-01 5.50 -7.354606694e-01 -7.354606694e-01 5.52 -7.170625955e-01 -7.170625955e-01 5.54 -6.986646773e-01 -6.986646773e-01 5.56 -6.802708132e-01 -6.802708132e-01 5.58 -6.618956740e-01 -6.618956740e-01 5.60 -6.435658781e-01 -6.435658781e-01 5.62 -6.253203092e-01 -6.253203092e-01 5.64 -6.072096672e-01 -6.072096672e-01 5.66 -5.892948354e-01 -5.892948354e-01 5.68 -5.716442649e-01 -5.716442649e-01 5.70 -5.543304085e-01 -5.543304085e-01 5.72 -5.374255299e-01 -5.374255299e-01 5.74 -5.209974337e-01 -5.209974337e-01 5.76 -5.051053884e-01 -5.051053884e-01 5.78 -4.897969869e-01 -4.897969869e-01 5.80 -4.751058976e-01 -4.751058976e-01 5.82 -4.610510345e-01 -4.610510345e-01 5.84 -4.476367152e-01 -4.476367152e-01 5.86 -4.348539538e-01 -4.348539538e-01 5.88 -4.226823165e-01 -4.226823165e-01 5.90 -4.110922413e-01 -4.110922413e-01 5.92 -4.000473806e-01 -4.000473806e-01 5.94 -3.895068343e-01 -3.895068343e-01 5.96 -3.794270909e-01 -3.794270909e-01 5.98 -3.697635870e-01 -3.697635870e-01 6.00 -3.604718947e-01 -3.604718947e-01