# 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 = NbTa2Ti # 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 3.395674832e+02 3.395674832e+02 1.28 3.156454927e+02 3.156454927e+02 1.30 2.934556965e+02 2.934556965e+02 1.32 2.728624677e+02 2.728624677e+02 1.34 2.537392905e+02 2.537392905e+02 1.36 2.359698955e+02 2.359698955e+02 1.38 2.194492268e+02 2.194492268e+02 1.40 2.040813145e+02 2.040813145e+02 1.42 1.897760547e+02 1.897760547e+02 1.44 1.764489037e+02 1.764489037e+02 1.46 1.640232194e+02 1.640232194e+02 1.48 1.524306468e+02 1.524306468e+02 1.50 1.416087973e+02 1.416087973e+02 1.52 1.314992932e+02 1.314992932e+02 1.54 1.220477317e+02 1.220477317e+02 1.56 1.132048371e+02 1.132048371e+02 1.58 1.049273666e+02 1.049273666e+02 1.60 9.717796036e+01 9.717796036e+01 1.62 8.992397349e+01 8.992397349e+01 1.64 8.313581294e+01 8.313581294e+01 1.66 7.678547009e+01 7.678547009e+01 1.68 7.084576775e+01 7.084576775e+01 1.70 6.529044998e+01 6.529044998e+01 1.72 6.009780955e+01 6.009780955e+01 1.74 5.525794804e+01 5.525794804e+01 1.76 5.074962930e+01 5.074962930e+01 1.78 4.655109667e+01 4.655109667e+01 1.80 4.264178813e+01 4.264178813e+01 1.82 3.900215508e+01 3.900215508e+01 1.84 3.561374264e+01 3.561374264e+01 1.86 3.245936733e+01 3.245936733e+01 1.88 2.952320608e+01 2.952320608e+01 1.90 2.679082214e+01 2.679082214e+01 1.92 2.424911173e+01 2.424911173e+01 1.94 2.188607596e+01 2.188607596e+01 1.96 1.969046501e+01 1.969046501e+01 1.98 1.765144439e+01 1.765144439e+01 2.00 1.575838396e+01 1.575838396e+01 2.02 1.400079853e+01 1.400079853e+01 2.04 1.236844447e+01 1.236844447e+01 2.06 1.085154652e+01 1.085154652e+01 2.08 9.441071802e+00 9.441071802e+00 2.10 8.128905848e+00 8.128905848e+00 2.12 6.907839645e+00 6.907839645e+00 2.14 5.771407132e+00 5.771407132e+00 2.16 4.713726375e+00 4.713726375e+00 2.18 3.729464365e+00 3.729464365e+00 2.20 2.813910223e+00 2.813910223e+00 2.22 1.963008349e+00 1.963008349e+00 2.24 1.173256054e+00 1.173256054e+00 2.26 4.415064525e-01 4.415064525e-01 2.28 -2.352268446e-01 -2.352268446e-01 2.30 -8.599134661e-01 -8.599134661e-01 2.32 -1.435602097e+00 -1.435602097e+00 2.34 -1.965476975e+00 -1.965476975e+00 2.36 -2.452870192e+00 -2.452870192e+00 2.38 -2.901215812e+00 -2.901215812e+00 2.40 -3.313940267e+00 -3.313940267e+00 2.42 -3.694320549e+00 -3.694320549e+00 2.44 -4.045346091e+00 -4.045346091e+00 2.46 -4.369617030e+00 -4.369617030e+00 2.48 -4.669298336e+00 -4.669298336e+00 2.50 -4.946141710e+00 -4.946141710e+00 2.52 -5.201563040e+00 -5.201563040e+00 2.54 -5.436743460e+00 -5.436743460e+00 2.56 -5.652720370e+00 -5.652720370e+00 2.58 -5.850453840e+00 -5.850453840e+00 2.60 -6.030868956e+00 -6.030868956e+00 2.62 -6.194874862e+00 -6.194874862e+00 2.64 -6.343368273e+00 -6.343368273e+00 2.66 -6.477220418e+00 -6.477220418e+00 2.68 -6.597255719e+00 -6.597255719e+00 2.70 -6.704233945e+00 -6.704233945e+00 2.72 -6.798844576e+00 -6.798844576e+00 2.74 -6.880733473e+00 -6.880733473e+00 2.76 -6.949628824e+00 -6.949628824e+00 2.78 -7.006533135e+00 -7.006533135e+00 2.80 -7.051866723e+00 -7.051866723e+00 2.82 -7.086532713e+00 -7.086532713e+00 2.84 -7.111357396e+00 -7.111357396e+00 2.86 -7.127003453e+00 -7.127003453e+00 2.88 -7.134072730e+00 -7.134072730e+00 2.90 -7.133099589e+00 -7.133099589e+00 2.92 -7.124579666e+00 -7.124579666e+00 2.94 -7.109103694e+00 -7.109103694e+00 2.96 -7.086954091e+00 -7.086954091e+00 2.98 -7.058321638e+00 -7.058321638e+00 3.00 -7.023199652e+00 -7.023199652e+00 3.02 -6.981505584e+00 -6.981505584e+00 3.04 -6.933170215e+00 -6.933170215e+00 3.06 -6.878131665e+00 -6.878131665e+00 3.08 -6.816330605e+00 -6.816330605e+00 3.10 -6.747707824e+00 -6.747707824e+00 3.12 -6.672222532e+00 -6.672222532e+00 3.14 -6.589884440e+00 -6.589884440e+00 3.16 -6.500794931e+00 -6.500794931e+00 3.18 -6.405178695e+00 -6.405178695e+00 3.20 -6.303391158e+00 -6.303391158e+00 3.22 -6.195896416e+00 -6.195896416e+00 3.24 -6.083229416e+00 -6.083229416e+00 3.26 -5.965960545e+00 -5.965960545e+00 3.28 -5.844678269e+00 -5.844678269e+00 3.30 -5.719988414e+00 -5.719988414e+00 3.32 -5.592520676e+00 -5.592520676e+00 3.34 -5.462928887e+00 -5.462928887e+00 3.36 -5.331878877e+00 -5.331878877e+00 3.38 -5.200022719e+00 -5.200022719e+00 3.40 -5.067965480e+00 -5.067965480e+00 3.42 -4.936231944e+00 -4.936231944e+00 3.44 -4.805237344e+00 -4.805237344e+00 3.46 -4.675269760e+00 -4.675269760e+00 3.48 -4.546482353e+00 -4.546482353e+00 3.50 -4.418898058e+00 -4.418898058e+00 3.52 -4.292422133e+00 -4.292422133e+00 3.54 -4.166862188e+00 -4.166862188e+00 3.56 -4.041951971e+00 -4.041951971e+00 3.58 -3.917378034e+00 -3.917378034e+00 3.60 -3.792808000e+00 -3.792808000e+00 3.62 -3.667919779e+00 -3.667919779e+00 3.64 -3.542432145e+00 -3.542432145e+00 3.66 -3.416134943e+00 -3.416134943e+00 3.68 -3.288917627e+00 -3.288917627e+00 3.70 -3.160792680e+00 -3.160792680e+00 3.72 -3.031911283e+00 -3.031911283e+00 3.74 -2.902566187e+00 -2.902566187e+00 3.76 -2.773182457e+00 -2.773182457e+00 3.78 -2.644297495e+00 -2.644297495e+00 3.80 -2.516534378e+00 -2.516534378e+00 3.82 -2.390572075e+00 -2.390572075e+00 3.84 -2.267116262e+00 -2.267116262e+00 3.86 -2.146870583e+00 -2.146870583e+00 3.88 -2.030510411e+00 -2.030510411e+00 3.90 -1.918653927e+00 -1.918653927e+00 3.92 -1.811838510e+00 -1.811838510e+00 3.94 -1.710499904e+00 -1.710499904e+00 3.96 -1.614957747e+00 -1.614957747e+00 3.98 -1.525407840e+00 -1.525407840e+00 4.00 -1.441922722e+00 -1.441922722e+00 4.02 -1.364460098e+00 -1.364460098e+00 4.04 -1.292874640e+00 -1.292874640e+00 4.06 -1.226940510e+00 -1.226940510e+00 4.08 -1.166362795e+00 -1.166362795e+00 4.10 -1.110802154e+00 -1.110802154e+00 4.12 -1.059891106e+00 -1.059891106e+00 4.14 -1.013249597e+00 -1.013249597e+00 4.16 -9.704978827e-01 -9.704978827e-01 4.18 -9.312665189e-01 -9.312665189e-01 4.20 -8.952037451e-01 -8.952037451e-01 4.22 -8.619803264e-01 -8.619803264e-01 4.24 -8.312902100e-01 -8.312902100e-01 4.26 -8.028566573e-01 -8.028566573e-01 4.28 -7.764319205e-01 -7.764319205e-01 4.30 -7.517931229e-01 -7.517931229e-01 4.32 -7.287415770e-01 -7.287415770e-01 4.34 -7.071013030e-01 -7.071013030e-01 4.36 -6.867171952e-01 -6.867171952e-01 4.38 -6.674531687e-01 -6.674531687e-01 4.40 -6.491902402e-01 -6.491902402e-01 4.42 -6.318245472e-01 -6.318245472e-01 4.44 -6.152655848e-01 -6.152655848e-01 4.46 -5.994346143e-01 -5.994346143e-01 4.48 -5.842631116e-01 -5.842631116e-01 4.50 -5.696914172e-01 -5.696914172e-01 4.52 -5.556675822e-01 -5.556675822e-01 4.54 -5.421463021e-01 -5.421463021e-01 4.56 -5.290879708e-01 -5.290879708e-01 4.58 -5.164578908e-01 -5.164578908e-01 4.60 -5.042255797e-01 -5.042255797e-01 4.62 -4.923641354e-01 -4.923641354e-01 4.64 -4.808497084e-01 -4.808497084e-01 4.66 -4.696610509e-01 -4.696610509e-01 4.68 -4.587790992e-01 -4.587790992e-01 4.70 -4.481866173e-01 -4.481866173e-01 4.72 -4.378674247e-01 -4.378674247e-01 4.74 -4.278080663e-01 -4.278080663e-01 4.76 -4.179944879e-01 -4.179944879e-01 4.78 -4.084139726e-01 -4.084139726e-01 4.80 -3.990543623e-01 -3.990543623e-01 4.82 -3.899038639e-01 -3.899038639e-01 4.84 -3.809508683e-01 -3.809508683e-01 4.86 -3.721837900e-01 -3.721837900e-01 4.88 -3.635909041e-01 -3.635909041e-01 4.90 -3.551602080e-01 -3.551602080e-01 4.92 -3.468792931e-01 -3.468792931e-01 4.94 -3.387352495e-01 -3.387352495e-01 4.96 -3.307145961e-01 -3.307145961e-01 4.98 -3.228032722e-01 -3.228032722e-01 5.00 -3.149866864e-01 -3.149866864e-01 5.02 -3.072498740e-01 -3.072498740e-01 5.04 -2.995777718e-01 -2.995777718e-01 5.06 -2.919556441e-01 -2.919556441e-01 5.08 -2.843696966e-01 -2.843696966e-01 5.10 -2.768078600e-01 -2.768078600e-01 5.12 -2.692607940e-01 -2.692607940e-01 5.14 -2.617229778e-01 -2.617229778e-01 5.16 -2.541939192e-01 -2.541939192e-01 5.18 -2.466791853e-01 -2.466791853e-01 5.20 -2.391912462e-01 -2.391912462e-01 5.22 -2.317497251e-01 -2.317497251e-01 5.24 -2.243798414e-01 -2.243798414e-01 5.26 -2.171125743e-01 -2.171125743e-01 5.28 -2.099844713e-01 -2.099844713e-01 5.30 -2.030331962e-01 -2.030331962e-01 5.32 -1.962945870e-01 -1.962945870e-01 5.34 -1.897999345e-01 -1.897999345e-01 5.36 -1.835737096e-01 -1.835737096e-01 5.38 -1.776322335e-01 -1.776322335e-01 5.40 -1.719831566e-01 -1.719831566e-01 5.42 -1.666259057e-01 -1.666259057e-01 5.44 -1.615527004e-01 -1.615527004e-01 5.46 -1.567500222e-01 -1.567500222e-01 5.48 -1.522001698e-01 -1.522001698e-01 5.50 -1.478827612e-01 -1.478827612e-01 5.52 -1.437760157e-01 -1.437760157e-01 5.54 -1.398577525e-01 -1.398577525e-01 5.56 -1.361061192e-01 -1.361061192e-01 5.58 -1.325000359e-01 -1.325000359e-01 5.60 -1.290194432e-01 -1.290194432e-01 5.62 -1.256453659e-01 -1.256453659e-01 5.64 -1.223598770e-01 -1.223598770e-01 5.66 -1.191459637e-01 -1.191459637e-01 5.68 -1.159873743e-01 -1.159873743e-01 5.70 -1.128684384e-01 -1.128684384e-01 5.72 -1.097739049e-01 -1.097739049e-01 5.74 -1.066888020e-01 -1.066888020e-01 5.76 -1.035983571e-01 -1.035983571e-01 5.78 -1.004879696e-01 -1.004879696e-01 5.80 -9.734326891e-02 -9.734326891e-02 5.82 -9.415026788e-02 -9.415026788e-02 5.84 -9.089563037e-02 -9.089563037e-02 5.86 -8.756706497e-02 -8.756706497e-02 5.88 -8.415384281e-02 -8.415384281e-02 5.90 -8.064678318e-02 -8.064678318e-02 5.92 -7.703932434e-02 -7.703932434e-02 5.94 -7.332978903e-02 -7.332978903e-02 5.96 -6.952114085e-02 -6.952114085e-02 5.98 -6.562170756e-02 -6.562170756e-02 6.00 -6.164573095e-02 -6.164573095e-02