# 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 = Hf2TaZr # 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 3.443148399e+02 3.443148399e+02 1.28 3.210166073e+02 3.210166073e+02 1.30 2.993786156e+02 2.993786156e+02 1.32 2.792703341e+02 2.792703341e+02 1.34 2.605625983e+02 2.605625983e+02 1.36 2.431389016e+02 2.431389016e+02 1.38 2.268963932e+02 2.268963932e+02 1.40 2.117438368e+02 2.117438368e+02 1.42 1.976021053e+02 1.976021053e+02 1.44 1.844056497e+02 1.844056497e+02 1.46 1.720977919e+02 1.720977919e+02 1.48 1.606216385e+02 1.606216385e+02 1.50 1.499133047e+02 1.499133047e+02 1.52 1.399058995e+02 1.399058995e+02 1.54 1.305398884e+02 1.305398885e+02 1.56 1.217670062e+02 1.217670062e+02 1.58 1.135462709e+02 1.135462709e+02 1.60 1.058374176e+02 1.058374176e+02 1.62 9.860200801e+01 9.860200801e+01 1.64 9.180619414e+01 9.180619414e+01 1.66 8.542315921e+01 8.542315921e+01 1.68 7.943224546e+01 7.943224546e+01 1.70 7.381832855e+01 7.381832855e+01 1.72 6.856817683e+01 6.856817683e+01 1.74 6.366279018e+01 6.366279018e+01 1.76 5.907966407e+01 5.907966407e+01 1.78 5.479623322e+01 5.479623322e+01 1.80 5.079076028e+01 5.079076028e+01 1.82 4.704298937e+01 4.704298937e+01 1.84 4.353567864e+01 4.353567864e+01 1.86 4.025415106e+01 4.025415106e+01 1.88 3.718532389e+01 3.718532389e+01 1.90 3.431616160e+01 3.431616160e+01 1.92 3.163288004e+01 3.163288004e+01 1.94 2.912086781e+01 2.912086781e+01 1.96 2.676604715e+01 2.676604715e+01 1.98 2.455617876e+01 2.455617876e+01 2.00 2.248089257e+01 2.248089257e+01 2.02 2.053115816e+01 2.053115816e+01 2.04 1.869866335e+01 1.869866335e+01 2.06 1.697589834e+01 1.697589834e+01 2.08 1.535632178e+01 1.535632178e+01 2.10 1.383415637e+01 1.383415637e+01 2.12 1.240432470e+01 1.240432470e+01 2.14 1.106198826e+01 1.106198826e+01 2.16 9.802749725e+00 9.802749725e+00 2.18 8.622206414e+00 8.622206414e+00 2.20 7.515949846e+00 7.515949846e+00 2.22 6.479649307e+00 6.479649307e+00 2.24 5.509417148e+00 5.509417148e+00 2.26 4.601945900e+00 4.601945900e+00 2.28 3.754385734e+00 3.754385734e+00 2.30 2.964215292e+00 2.964215292e+00 2.32 2.228216556e+00 2.228216556e+00 2.34 1.542476195e+00 1.542476195e+00 2.36 9.028301302e-01 9.028301302e-01 2.38 3.053124742e-01 3.053124742e-01 2.40 -2.532367008e-01 -2.532367008e-01 2.42 -7.753073522e-01 -7.753073522e-01 2.44 -1.262837718e+00 -1.262837718e+00 2.46 -1.717438985e+00 -1.717438985e+00 2.48 -2.140602878e+00 -2.140602878e+00 2.50 -2.533877169e+00 -2.533877169e+00 2.52 -2.899000625e+00 -2.899000625e+00 2.54 -3.237971437e+00 -3.237971437e+00 2.56 -3.553017945e+00 -3.553017945e+00 2.58 -3.846403620e+00 -3.846403620e+00 2.60 -4.120516323e+00 -4.120516323e+00 2.62 -4.377192910e+00 -4.377192910e+00 2.64 -4.617870285e+00 -4.617870285e+00 2.66 -4.843400906e+00 -4.843400906e+00 2.68 -5.054128258e+00 -5.054128258e+00 2.70 -5.250124746e+00 -5.250124746e+00 2.72 -5.431478969e+00 -5.431478969e+00 2.74 -5.598408961e+00 -5.598408961e+00 2.76 -5.751559718e+00 -5.751559718e+00 2.78 -5.891543165e+00 -5.891543165e+00 2.80 -6.019144513e+00 -6.019144513e+00 2.82 -6.135190166e+00 -6.135190166e+00 2.84 -6.240279127e+00 -6.240279127e+00 2.86 -6.333427917e+00 -6.333427917e+00 2.88 -6.414186955e+00 -6.414186955e+00 2.90 -6.483766330e+00 -6.483766330e+00 2.92 -6.543229894e+00 -6.543229894e+00 2.94 -6.593495828e+00 -6.593495828e+00 2.96 -6.635355631e+00 -6.635355631e+00 2.98 -6.669388750e+00 -6.669388750e+00 3.00 -6.695953157e+00 -6.695953157e+00 3.02 -6.715595784e+00 -6.715595784e+00 3.04 -6.728580649e+00 -6.728580649e+00 3.06 -6.735039243e+00 -6.735039243e+00 3.08 -6.735504382e+00 -6.735504382e+00 3.10 -6.730366501e+00 -6.730366501e+00 3.12 -6.719663168e+00 -6.719663168e+00 3.14 -6.703321589e+00 -6.703321589e+00 3.16 -6.681239119e+00 -6.681239119e+00 3.18 -6.653323353e+00 -6.653323353e+00 3.20 -6.619502394e+00 -6.619502394e+00 3.22 -6.579739383e+00 -6.579739383e+00 3.24 -6.534048423e+00 -6.534048423e+00 3.26 -6.482507560e+00 -6.482507560e+00 3.28 -6.425265313e+00 -6.425265313e+00 3.30 -6.362539633e+00 -6.362539633e+00 3.32 -6.294614125e+00 -6.294614125e+00 3.34 -6.221813412e+00 -6.221813412e+00 3.36 -6.144626531e+00 -6.144626531e+00 3.38 -6.063555464e+00 -6.063555464e+00 3.40 -5.979261382e+00 -5.979261382e+00 3.42 -5.892530833e+00 -5.892530833e+00 3.44 -5.804238535e+00 -5.804238535e+00 3.46 -5.715273339e+00 -5.715273339e+00 3.48 -5.626444140e+00 -5.626444140e+00 3.50 -5.538395029e+00 -5.538395029e+00 3.52 -5.451554016e+00 -5.451554016e+00 3.54 -5.366125877e+00 -5.366125877e+00 3.56 -5.282122660e+00 -5.282122660e+00 3.58 -5.199415194e+00 -5.199415194e+00 3.60 -5.117788908e+00 -5.117788908e+00 3.62 -5.036991462e+00 -5.036991462e+00 3.64 -4.956766953e+00 -4.956766953e+00 3.66 -4.876876013e+00 -4.876876013e+00 3.68 -4.797103931e+00 -4.797103931e+00 3.70 -4.717260930e+00 -4.717260930e+00 3.72 -4.637178268e+00 -4.637178268e+00 3.74 -4.556705112e+00 -4.556705112e+00 3.76 -4.475709318e+00 -4.475709318e+00 3.78 -4.394084601e+00 -4.394084601e+00 3.80 -4.311762291e+00 -4.311762291e+00 3.82 -4.228723130e+00 -4.228723130e+00 3.84 -4.145005105e+00 -4.145005105e+00 3.86 -4.060648990e+00 -4.060648990e+00 3.88 -3.975921873e+00 -3.975921873e+00 3.90 -3.890947349e+00 -3.890947349e+00 3.92 -3.805956137e+00 -3.805956137e+00 3.94 -3.721215970e+00 -3.721215970e+00 3.96 -3.637032440e+00 -3.637032440e+00 3.98 -3.553748549e+00 -3.553748549e+00 4.00 -3.471738525e+00 -3.471738525e+00 4.02 -3.391410186e+00 -3.391410186e+00 4.04 -3.312928730e+00 -3.312928730e+00 4.06 -3.237054973e+00 -3.237054973e+00 4.08 -3.163844158e+00 -3.163844158e+00 4.10 -3.093487417e+00 -3.093487417e+00 4.12 -3.026077578e+00 -3.026077578e+00 4.14 -2.961612490e+00 -2.961612490e+00 4.16 -2.900008682e+00 -2.900008682e+00 4.18 -2.841120857e+00 -2.841120857e+00 4.20 -2.784762601e+00 -2.784762601e+00 4.22 -2.730724773e+00 -2.730724773e+00 4.24 -2.678789656e+00 -2.678789656e+00 4.26 -2.628740480e+00 -2.628740480e+00 4.28 -2.580367025e+00 -2.580367025e+00 4.30 -2.533468639e+00 -2.533468639e+00 4.32 -2.487856205e+00 -2.487856205e+00 4.34 -2.443354360e+00 -2.443354360e+00 4.36 -2.399804645e+00 -2.399804645e+00 4.38 -2.357069451e+00 -2.357069451e+00 4.40 -2.315035722e+00 -2.315035722e+00 4.42 -2.273617179e+00 -2.273617179e+00 4.44 -2.232754248e+00 -2.232754248e+00 4.46 -2.192411523e+00 -2.192411523e+00 4.48 -2.152573175e+00 -2.152573175e+00 4.50 -2.113237561e+00 -2.113237561e+00 4.52 -2.074412020e+00 -2.074412020e+00 4.54 -2.036108484e+00 -2.036108484e+00 4.56 -1.998340214e+00 -1.998340214e+00 4.58 -1.961119675e+00 -1.961119675e+00 4.60 -1.924457340e+00 -1.924457340e+00 4.62 -1.888361169e+00 -1.888361169e+00 4.64 -1.852836517e+00 -1.852836517e+00 4.66 -1.817886274e+00 -1.817886274e+00 4.68 -1.783511169e+00 -1.783511169e+00 4.70 -1.749710135e+00 -1.749710135e+00 4.72 -1.716367341e+00 -1.716367341e+00 4.74 -1.683725332e+00 -1.683725332e+00 4.76 -1.651642168e+00 -1.651642168e+00 4.78 -1.620112848e+00 -1.620112848e+00 4.80 -1.589131599e+00 -1.589131599e+00 4.82 -1.558692031e+00 -1.558692031e+00 4.84 -1.528787259e+00 -1.528787259e+00 4.86 -1.499409990e+00 -1.499409990e+00 4.88 -1.470552594e+00 -1.470552594e+00 4.90 -1.442207144e+00 -1.442207144e+00 4.92 -1.414365452e+00 -1.414365452e+00 4.94 -1.387019075e+00 -1.387019075e+00 4.96 -1.360159323e+00 -1.360159323e+00 4.98 -1.333777245e+00 -1.333777245e+00 5.00 -1.307863608e+00 -1.307863608e+00 5.02 -1.282408866e+00 -1.282408866e+00 5.04 -1.257403122e+00 -1.257403122e+00 5.06 -1.232836072e+00 -1.232836072e+00 5.08 -1.208696948e+00 -1.208696948e+00 5.10 -1.184974448e+00 -1.184974448e+00 5.12 -1.161656652e+00 -1.161656652e+00 5.14 -1.138730939e+00 -1.138730939e+00 5.16 -1.116183880e+00 -1.116183880e+00 5.18 -1.094001141e+00 -1.094001141e+00 5.20 -1.072167363e+00 -1.072167363e+00 5.22 -1.050666056e+00 -1.050666056e+00 5.24 -1.029479477e+00 -1.029479477e+00 5.26 -1.008588539e+00 -1.008588539e+00 5.28 -9.879727151e-01 -9.879727151e-01 5.30 -9.676099954e-01 -9.676099954e-01 5.32 -9.474768705e-01 -9.474768705e-01 5.34 -9.275484035e-01 -9.275484035e-01 5.36 -9.077983766e-01 -9.077983766e-01 5.38 -8.881995745e-01 -8.881995745e-01 5.40 -8.687242168e-01 -8.687242168e-01 5.42 -8.493445774e-01 -8.493445774e-01 5.44 -8.300338383e-01 -8.300338383e-01 5.46 -8.107671581e-01 -8.107671581e-01 5.48 -7.915230353e-01 -7.915230353e-01 5.50 -7.722848292e-01 -7.722848292e-01 5.52 -7.530425392e-01 -7.530425392e-01 5.54 -7.337945295e-01 -7.337945295e-01 5.56 -7.145492910e-01 -7.145492910e-01 5.58 -6.953267447e-01 -6.953267447e-01 5.60 -6.761591665e-01 -6.761591665e-01 5.62 -6.570911738e-01 -6.570911738e-01 5.64 -6.381788894e-01 -6.381788894e-01 5.66 -6.194879299e-01 -6.194879299e-01 5.68 -6.010904463e-01 -6.010904463e-01 5.70 -5.830613362e-01 -5.830613362e-01 5.72 -5.654739493e-01 -5.654739493e-01 5.74 -5.483958779e-01 -5.483958779e-01 5.76 -5.318850548e-01 -5.318850548e-01 5.78 -5.159868845e-01 -5.159868845e-01 5.80 -5.007322928e-01 -5.007322928e-01 5.82 -4.861371813e-01 -4.861371813e-01 5.84 -4.722028190e-01 -4.722028190e-01 5.86 -4.589172931e-01 -4.589172931e-01 5.88 -4.462574542e-01 -4.462574542e-01 5.90 -4.341912605e-01 -4.341912605e-01 5.92 -4.226801041e-01 -4.226801041e-01 5.94 -4.116810014e-01 -4.116810014e-01 5.96 -4.011484828e-01 -4.011484828e-01 5.98 -3.910360887e-01 -3.910360887e-01 6.00 -3.812975270e-01 -3.812975270e-01