# 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 = HfTaTi2 # 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 2.621052821e+02 2.621052821e+02 1.28 2.439288860e+02 2.439288860e+02 1.30 2.270440143e+02 2.270440143e+02 1.32 2.113446790e+02 2.113446790e+02 1.34 1.967385359e+02 1.967385359e+02 1.36 1.831480142e+02 1.831480142e+02 1.38 1.705032962e+02 1.705032962e+02 1.40 1.587367606e+02 1.587367606e+02 1.42 1.477826353e+02 1.477826353e+02 1.44 1.375809942e+02 1.375809942e+02 1.46 1.280785685e+02 1.280785685e+02 1.48 1.192237956e+02 1.192237956e+02 1.50 1.109621862e+02 1.109621862e+02 1.52 1.032415067e+02 1.032415067e+02 1.54 9.601853159e+01 9.601853152e+01 1.56 8.925960027e+01 8.925960027e+01 1.58 8.293597326e+01 8.293597326e+01 1.60 7.701880546e+01 7.701880546e+01 1.62 7.147920128e+01 7.147920128e+01 1.64 6.629301470e+01 6.629301470e+01 1.66 6.144058934e+01 6.144058934e+01 1.68 5.690179007e+01 5.690179007e+01 1.70 5.265778345e+01 5.265778345e+01 1.72 4.869208467e+01 4.869208467e+01 1.74 4.498958267e+01 4.498958267e+01 1.76 4.153426446e+01 4.153426446e+01 1.78 3.830862333e+01 3.830862333e+01 1.80 3.529441106e+01 3.529441106e+01 1.82 3.247503643e+01 3.247503643e+01 1.84 2.983717336e+01 2.983717336e+01 1.86 2.737004024e+01 2.737004024e+01 1.88 2.506414197e+01 2.506414197e+01 1.90 2.291007829e+01 2.291007829e+01 1.92 2.089844600e+01 2.089844600e+01 1.94 1.901969924e+01 1.901969924e+01 1.96 1.726462152e+01 1.726462152e+01 1.98 1.562473944e+01 1.562473944e+01 2.00 1.409223923e+01 1.409223923e+01 2.02 1.265966730e+01 1.265966730e+01 2.04 1.131980601e+01 1.131980601e+01 2.06 1.006588509e+01 1.006588509e+01 2.08 8.892176425e+00 8.892176425e+00 2.10 7.793983922e+00 7.793983922e+00 2.12 6.767320814e+00 6.767320814e+00 2.14 5.808190307e+00 5.808190307e+00 2.16 4.912294054e+00 4.912294054e+00 2.18 4.074962086e+00 4.074962086e+00 2.20 3.291662239e+00 3.291662239e+00 2.22 2.558558803e+00 2.558558803e+00 2.24 1.872826171e+00 1.872826171e+00 2.26 1.232588856e+00 1.232588856e+00 2.28 6.364164054e-01 6.364164054e-01 2.30 8.309375174e-02 8.309375174e-02 2.32 -4.291607498e-01 -4.291607498e-01 2.34 -9.028691284e-01 -9.028691284e-01 2.36 -1.341161466e+00 -1.341161466e+00 2.38 -1.747464440e+00 -1.747464440e+00 2.40 -2.125007650e+00 -2.125007650e+00 2.42 -2.476608253e+00 -2.476608253e+00 2.44 -2.804536321e+00 -2.804536321e+00 2.46 -3.110515833e+00 -3.110515833e+00 2.48 -3.395796775e+00 -3.395796775e+00 2.50 -3.661294947e+00 -3.661294947e+00 2.52 -3.907781207e+00 -3.907781207e+00 2.54 -4.136060887e+00 -4.136060887e+00 2.56 -4.347082159e+00 -4.347082159e+00 2.58 -4.541922082e+00 -4.541922082e+00 2.60 -4.721859026e+00 -4.721859026e+00 2.62 -4.888051398e+00 -4.888051398e+00 2.64 -5.041572038e+00 -5.041572038e+00 2.66 -5.183269382e+00 -5.183269382e+00 2.68 -5.313746292e+00 -5.313746292e+00 2.70 -5.433423640e+00 -5.433423640e+00 2.72 -5.541897580e+00 -5.541897580e+00 2.74 -5.638517124e+00 -5.638517124e+00 2.76 -5.724068043e+00 -5.724068043e+00 2.78 -5.798957636e+00 -5.798957636e+00 2.80 -5.863208675e+00 -5.863208675e+00 2.82 -5.917634974e+00 -5.917634974e+00 2.84 -5.962921996e+00 -5.962921996e+00 2.86 -5.999673484e+00 -5.999673484e+00 2.88 -6.028441548e+00 -6.028441548e+00 2.90 -6.049685658e+00 -6.049685658e+00 2.92 -6.063863929e+00 -6.063863929e+00 2.94 -6.071578111e+00 -6.071578111e+00 2.96 -6.073098115e+00 -6.073098115e+00 2.98 -6.068548239e+00 -6.068548239e+00 3.00 -6.058141418e+00 -6.058141418e+00 3.02 -6.042179151e+00 -6.042179151e+00 3.04 -6.020616451e+00 -6.020616451e+00 3.06 -5.993437384e+00 -5.993437384e+00 3.08 -5.960751372e+00 -5.960751372e+00 3.10 -5.922555381e+00 -5.922555381e+00 3.12 -5.878923423e+00 -5.878923423e+00 3.14 -5.830004318e+00 -5.830004318e+00 3.16 -5.776073140e+00 -5.776073140e+00 3.18 -5.717560450e+00 -5.717560450e+00 3.20 -5.655035325e+00 -5.655035325e+00 3.22 -5.589139669e+00 -5.589139669e+00 3.24 -5.520499317e+00 -5.520499317e+00 3.26 -5.449649459e+00 -5.449649459e+00 3.28 -5.377000266e+00 -5.377000266e+00 3.30 -5.302844735e+00 -5.302844735e+00 3.32 -5.227392961e+00 -5.227392961e+00 3.34 -5.150800929e+00 -5.150800929e+00 3.36 -5.073260832e+00 -5.073260832e+00 3.38 -4.994939438e+00 -4.994939438e+00 3.40 -4.916049640e+00 -4.916049640e+00 3.42 -4.836829177e+00 -4.836829177e+00 3.44 -4.757521298e+00 -4.757521298e+00 3.46 -4.678346730e+00 -4.678346730e+00 3.48 -4.599473913e+00 -4.599473913e+00 3.50 -4.520997090e+00 -4.520997090e+00 3.52 -4.442927191e+00 -4.442927191e+00 3.54 -4.365196940e+00 -4.365196940e+00 3.56 -4.287676871e+00 -4.287676871e+00 3.58 -4.210197564e+00 -4.210197564e+00 3.60 -4.132574351e+00 -4.132574351e+00 3.62 -4.054631962e+00 -4.054631962e+00 3.64 -3.976228542e+00 -3.976228542e+00 3.66 -3.897277910e+00 -3.897277910e+00 3.68 -3.817768429e+00 -3.817768429e+00 3.70 -3.737774886e+00 -3.737774886e+00 3.72 -3.657459428e+00 -3.657459428e+00 3.74 -3.577058335e+00 -3.577058335e+00 3.76 -3.496855881e+00 -3.496855881e+00 3.78 -3.417150878e+00 -3.417150878e+00 3.80 -3.338224468e+00 -3.338224468e+00 3.82 -3.260316917e+00 -3.260316917e+00 3.84 -3.183617449e+00 -3.183617449e+00 3.86 -3.108241246e+00 -3.108241246e+00 3.88 -3.034343129e+00 -3.034343129e+00 3.90 -2.961965944e+00 -2.961965944e+00 3.92 -2.891169473e+00 -2.891169473e+00 3.94 -2.822009609e+00 -2.822009609e+00 3.96 -2.754545228e+00 -2.754545228e+00 3.98 -2.688840974e+00 -2.688840974e+00 4.00 -2.624966002e+00 -2.624966002e+00 4.02 -2.562994726e+00 -2.562994726e+00 4.04 -2.502913861e+00 -2.502913861e+00 4.06 -2.444906955e+00 -2.444906955e+00 4.08 -2.388916195e+00 -2.388916195e+00 4.10 -2.334930160e+00 -2.334930160e+00 4.12 -2.282907434e+00 -2.282907434e+00 4.14 -2.232780117e+00 -2.232780117e+00 4.16 -2.184459978e+00 -2.184459978e+00 4.18 -2.137845627e+00 -2.137845627e+00 4.20 -2.092829214e+00 -2.092829214e+00 4.22 -2.049301634e+00 -2.049301634e+00 4.24 -2.007155849e+00 -2.007155849e+00 4.26 -1.966288402e+00 -1.966288402e+00 4.28 -1.926599575e+00 -1.926599575e+00 4.30 -1.887992944e+00 -1.887992944e+00 4.32 -1.850375142e+00 -1.850375142e+00 4.34 -1.813656487e+00 -1.813656487e+00 4.36 -1.777752773e+00 -1.777752773e+00 4.38 -1.742587977e+00 -1.742587977e+00 4.40 -1.708097125e+00 -1.708097125e+00 4.42 -1.674228374e+00 -1.674228374e+00 4.44 -1.640943671e+00 -1.640943671e+00 4.46 -1.608217817e+00 -1.608217817e+00 4.48 -1.576036154e+00 -1.576036154e+00 4.50 -1.544391654e+00 -1.544391654e+00 4.52 -1.513282042e+00 -1.513282042e+00 4.54 -1.482707352e+00 -1.482707352e+00 4.56 -1.452668134e+00 -1.452668134e+00 4.58 -1.423164315e+00 -1.423164315e+00 4.60 -1.394194590e+00 -1.394194590e+00 4.62 -1.365756187e+00 -1.365756187e+00 4.64 -1.337844856e+00 -1.337844856e+00 4.66 -1.310454983e+00 -1.310454983e+00 4.68 -1.283579749e+00 -1.283579749e+00 4.70 -1.257211317e+00 -1.257211317e+00 4.72 -1.231296019e+00 -1.231296019e+00 4.74 -1.205921996e+00 -1.205921996e+00 4.76 -1.181024704e+00 -1.181024704e+00 4.78 -1.156593422e+00 -1.156593422e+00 4.80 -1.132616675e+00 -1.132616675e+00 4.82 -1.109082210e+00 -1.109082210e+00 4.84 -1.085976942e+00 -1.085976942e+00 4.86 -1.063286894e+00 -1.063286894e+00 4.88 -1.040997097e+00 -1.040997097e+00 4.90 -1.019091513e+00 -1.019091513e+00 4.92 -9.975529274e-01 -9.975529274e-01 4.94 -9.763628918e-01 -9.763628918e-01 4.96 -9.555016718e-01 -9.555016718e-01 4.98 -9.349482754e-01 -9.349482754e-01 5.00 -9.146805525e-01 -9.146805525e-01 5.02 -8.946754302e-01 -8.946754302e-01 5.04 -8.749093062e-01 -8.749093062e-01 5.06 -8.553586498e-01 -8.553586498e-01 5.08 -8.360008594e-01 -8.360008594e-01 5.10 -8.168153567e-01 -8.168153567e-01 5.12 -7.977849854e-01 -7.977849854e-01 5.14 -7.788975331e-01 -7.788975331e-01 5.16 -7.601474164e-01 -7.601474164e-01 5.18 -7.415371211e-01 -7.415371211e-01 5.20 -7.230783745e-01 -7.230783745e-01 5.22 -7.047924901e-01 -7.047924901e-01 5.24 -6.867098742e-01 -6.867098742e-01 5.26 -6.688683156e-01 -6.688683156e-01 5.28 -6.513102442e-01 -6.513102442e-01 5.30 -6.340791509e-01 -6.340791509e-01 5.32 -6.172155841e-01 -6.172155841e-01 5.34 -6.007534506e-01 -6.007534506e-01 5.36 -5.847169300e-01 -5.847169300e-01 5.38 -5.691187116e-01 -5.691187116e-01 5.40 -5.539593965e-01 -5.539593965e-01 5.42 -5.392283118e-01 -5.392283118e-01 5.44 -5.249052107e-01 -5.249052107e-01 5.46 -5.109627062e-01 -5.109627062e-01 5.48 -4.973689625e-01 -4.973689625e-01 5.50 -4.840903772e-01 -4.840903772e-01 5.52 -4.710940552e-01 -4.710940552e-01 5.54 -4.583498400e-01 -4.583498400e-01 5.56 -4.458319485e-01 -4.458319485e-01 5.58 -4.335199834e-01 -4.335199834e-01 5.60 -4.213994784e-01 -4.213994784e-01 5.62 -4.094617941e-01 -4.094617941e-01 5.64 -3.977035357e-01 -3.977035357e-01 5.66 -3.861254041e-01 -3.861254041e-01 5.68 -3.747306974e-01 -3.747306974e-01 5.70 -3.635235413e-01 -3.635235413e-01 5.72 -3.525070348e-01 -3.525070348e-01 5.74 -3.416815619e-01 -3.416815619e-01 5.76 -3.310433818e-01 -3.310433818e-01 5.78 -3.205837434e-01 -3.205837434e-01 5.80 -3.102884988e-01 -3.102884988e-01 5.82 -3.001383839e-01 -3.001383839e-01 5.84 -2.901098105e-01 -2.901098105e-01 5.86 -2.801762206e-01 -2.801762206e-01 5.88 -2.703097994e-01 -2.703097994e-01 5.90 -2.604835146e-01 -2.604835146e-01 5.92 -2.506733395e-01 -2.506733395e-01 5.94 -2.408605020e-01 -2.408605020e-01 5.96 -2.310336034e-01 -2.310336034e-01 5.98 -2.211904452e-01 -2.211904452e-01 6.00 -2.113394464e-01 -2.113394464e-01