# 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 = HfTa2Ti # 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 3.489943428e+02 3.489943428e+02 1.28 3.248133546e+02 3.248133546e+02 1.30 3.023677690e+02 3.023677690e+02 1.32 2.815092996e+02 2.815092996e+02 1.34 2.621078428e+02 2.621078428e+02 1.36 2.440510479e+02 2.440510479e+02 1.38 2.272386375e+02 2.272386375e+02 1.40 2.115781830e+02 2.115781830e+02 1.42 1.969841980e+02 1.969841980e+02 1.44 1.833784858e+02 1.833784858e+02 1.46 1.706906049e+02 1.706906049e+02 1.48 1.588560748e+02 1.588560748e+02 1.50 1.478140953e+02 1.478140953e+02 1.52 1.375060048e+02 1.375060048e+02 1.54 1.278764703e+02 1.278764703e+02 1.56 1.188749042e+02 1.188749042e+02 1.58 1.104554779e+02 1.104554779e+02 1.60 1.025758905e+02 1.025758905e+02 1.62 9.519825772e+01 9.519825772e+01 1.64 8.828935389e+01 8.828935389e+01 1.66 8.182035563e+01 8.182035563e+01 1.68 7.576755862e+01 7.576755862e+01 1.70 7.011356778e+01 7.011356778e+01 1.72 6.483528699e+01 6.483528699e+01 1.74 5.990934890e+01 5.990934890e+01 1.76 5.531212957e+01 5.531212957e+01 1.78 5.102111586e+01 5.102111586e+01 1.80 4.701532957e+01 4.701532957e+01 1.82 4.327556747e+01 4.327556747e+01 1.84 3.978474623e+01 3.978474623e+01 1.86 3.652740516e+01 3.652740516e+01 1.88 3.348918901e+01 3.348918901e+01 1.90 3.065662989e+01 3.065662989e+01 1.92 2.801685477e+01 2.801685477e+01 1.94 2.555752217e+01 2.555752217e+01 1.96 2.326672057e+01 2.326672057e+01 1.98 2.113288062e+01 2.113288062e+01 2.00 1.914460325e+01 1.914460325e+01 2.02 1.729070252e+01 1.729070252e+01 2.04 1.556035391e+01 1.556035391e+01 2.06 1.394363595e+01 1.394363595e+01 2.08 1.243177228e+01 1.243177228e+01 2.10 1.101724179e+01 1.101724179e+01 2.12 9.693642959e+00 9.693642959e+00 2.14 8.455304831e+00 8.455304831e+00 2.16 7.297180431e+00 7.297180431e+00 2.18 6.214636265e+00 6.214636265e+00 2.20 5.203488283e+00 5.203488283e+00 2.22 4.259981625e+00 4.259981625e+00 2.24 3.380730740e+00 3.380730740e+00 2.26 2.562481808e+00 2.562481808e+00 2.28 1.802072917e+00 1.802072917e+00 2.30 1.096294377e+00 1.096294377e+00 2.32 4.417309876e-01 4.417309876e-01 2.34 -1.652113250e-01 -1.652113250e-01 2.36 -7.281916028e-01 -7.281916028e-01 2.38 -1.250816553e+00 -1.250816553e+00 2.40 -1.736375658e+00 -1.736375658e+00 2.42 -2.187791427e+00 -2.187791427e+00 2.44 -2.607570294e+00 -2.607570294e+00 2.46 -2.997835712e+00 -2.997835712e+00 2.48 -3.360397815e+00 -3.360397815e+00 2.50 -3.696851137e+00 -3.696851137e+00 2.52 -4.008684984e+00 -4.008684984e+00 2.54 -4.297372723e+00 -4.297372723e+00 2.56 -4.564407221e+00 -4.564407221e+00 2.58 -4.811257020e+00 -4.811257020e+00 2.60 -5.039405684e+00 -5.039405684e+00 2.62 -5.250125015e+00 -5.250125015e+00 2.64 -5.444521115e+00 -5.444521115e+00 2.66 -5.623463690e+00 -5.623463690e+00 2.68 -5.787606122e+00 -5.787606122e+00 2.70 -5.937472027e+00 -5.937472027e+00 2.72 -6.073567419e+00 -6.073567419e+00 2.74 -6.195964162e+00 -6.195964162e+00 2.76 -6.304181380e+00 -6.304181380e+00 2.78 -6.398983406e+00 -6.398983406e+00 2.80 -6.480557906e+00 -6.480557906e+00 2.82 -6.549760084e+00 -6.549760084e+00 2.84 -6.607326708e+00 -6.607326708e+00 2.86 -6.654241726e+00 -6.654241726e+00 2.88 -6.691341249e+00 -6.691341249e+00 2.90 -6.719304039e+00 -6.719304039e+00 2.92 -6.738716832e+00 -6.738716832e+00 2.94 -6.750079967e+00 -6.750079967e+00 2.96 -6.753913423e+00 -6.753913423e+00 2.98 -6.750738839e+00 -6.750738839e+00 3.00 -6.740919478e+00 -6.740919478e+00 3.02 -6.724573414e+00 -6.724573414e+00 3.04 -6.701825363e+00 -6.701825363e+00 3.06 -6.672640733e+00 -6.672640733e+00 3.08 -6.637071937e+00 -6.637071937e+00 3.10 -6.595034317e+00 -6.595034317e+00 3.12 -6.546510737e+00 -6.546510737e+00 3.14 -6.491525436e+00 -6.491525436e+00 3.16 -6.430177473e+00 -6.430177473e+00 3.18 -6.362665269e+00 -6.362665269e+00 3.20 -6.289289618e+00 -6.289289618e+00 3.22 -6.210431365e+00 -6.210431365e+00 3.24 -6.126516129e+00 -6.126516129e+00 3.26 -6.037982843e+00 -6.037982843e+00 3.28 -5.945269808e+00 -5.945269808e+00 3.30 -5.848818346e+00 -5.848818346e+00 3.32 -5.749087576e+00 -5.749087576e+00 3.34 -5.646559912e+00 -5.646559912e+00 3.36 -5.541800194e+00 -5.541800194e+00 3.38 -5.435385084e+00 -5.435385084e+00 3.40 -5.327947032e+00 -5.327947032e+00 3.42 -5.220135701e+00 -5.220135701e+00 3.44 -5.112576223e+00 -5.112576223e+00 3.46 -5.005818633e+00 -5.005818633e+00 3.48 -4.900287498e+00 -4.900287498e+00 3.50 -4.796247352e+00 -4.796247352e+00 3.52 -4.693790787e+00 -4.693790787e+00 3.54 -4.592851444e+00 -4.592851444e+00 3.56 -4.493235164e+00 -4.493235164e+00 3.58 -4.394660449e+00 -4.394660449e+00 3.60 -4.296800420e+00 -4.296800420e+00 3.62 -4.199320756e+00 -4.199320756e+00 3.64 -4.101912272e+00 -4.101912272e+00 3.66 -4.004317095e+00 -4.004317095e+00 3.68 -3.906348877e+00 -3.906348877e+00 3.70 -3.807906189e+00 -3.807906189e+00 3.72 -3.708978625e+00 -3.708978625e+00 3.74 -3.609644335e+00 -3.609644335e+00 3.76 -3.510060629e+00 -3.510060629e+00 3.78 -3.410450323e+00 -3.410450323e+00 3.80 -3.311087100e+00 -3.311087100e+00 3.82 -3.212281729e+00 -3.212281729e+00 3.84 -3.114370442e+00 -3.114370442e+00 3.86 -3.017684107e+00 -3.017684107e+00 3.88 -2.922620543e+00 -2.922620543e+00 3.90 -2.829502552e+00 -2.829502552e+00 3.92 -2.738660716e+00 -2.738660716e+00 3.94 -2.650400748e+00 -2.650400748e+00 3.96 -2.564997428e+00 -2.564997428e+00 3.98 -2.482689462e+00 -2.482689462e+00 4.00 -2.403674786e+00 -2.403674786e+00 4.02 -2.328113729e+00 -2.328113729e+00 4.04 -2.256003586e+00 -2.256003586e+00 4.06 -2.187586147e+00 -2.187586147e+00 4.08 -2.122739243e+00 -2.122739243e+00 4.10 -2.061388828e+00 -2.061388828e+00 4.12 -2.003407435e+00 -2.003407435e+00 4.14 -1.948623750e+00 -1.948623750e+00 4.16 -1.896834731e+00 -1.896834731e+00 4.18 -1.847818395e+00 -1.847818395e+00 4.20 -1.801345640e+00 -1.801345640e+00 4.22 -1.757189976e+00 -1.757189976e+00 4.24 -1.715134831e+00 -1.715134831e+00 4.26 -1.674978431e+00 -1.674978431e+00 4.28 -1.636536452e+00 -1.636536452e+00 4.30 -1.599643101e+00 -1.599643101e+00 4.32 -1.564151100e+00 -1.564151100e+00 4.34 -1.529930816e+00 -1.529930816e+00 4.36 -1.496868906e+00 -1.496868906e+00 4.38 -1.464866801e+00 -1.464866801e+00 4.40 -1.433839051e+00 -1.433839051e+00 4.42 -1.403711632e+00 -1.403711632e+00 4.44 -1.374420377e+00 -1.374420377e+00 4.46 -1.345909574e+00 -1.345909574e+00 4.48 -1.318130672e+00 -1.318130672e+00 4.50 -1.291041185e+00 -1.291041185e+00 4.52 -1.264603793e+00 -1.264603793e+00 4.54 -1.238785556e+00 -1.238785556e+00 4.56 -1.213557253e+00 -1.213557253e+00 4.58 -1.188892828e+00 -1.188892828e+00 4.60 -1.164768932e+00 -1.164768932e+00 4.62 -1.141164497e+00 -1.141164497e+00 4.64 -1.118060392e+00 -1.118060392e+00 4.66 -1.095439118e+00 -1.095439118e+00 4.68 -1.073284540e+00 -1.073284540e+00 4.70 -1.051581664e+00 -1.051581664e+00 4.72 -1.030269296e+00 -1.030269296e+00 4.74 -1.009436566e+00 -1.009436566e+00 4.76 -9.890137045e-01 -9.890137045e-01 4.78 -9.689885773e-01 -9.689885773e-01 4.80 -9.493492481e-01 -9.493492481e-01 4.82 -9.300838472e-01 -9.300838472e-01 4.84 -9.111804454e-01 -9.111804454e-01 4.86 -8.926269400e-01 -8.926269400e-01 4.88 -8.744109325e-01 -8.744109325e-01 4.90 -8.565196256e-01 -8.565196256e-01 4.92 -8.389397218e-01 -8.389397218e-01 4.94 -8.216573497e-01 -8.216573497e-01 4.96 -8.046580072e-01 -8.046580072e-01 4.98 -7.879265574e-01 -7.879265574e-01 5.00 -7.714472703e-01 -7.714472703e-01 5.02 -7.552039584e-01 -7.552039584e-01 5.04 -7.391802102e-01 -7.391802102e-01 5.06 -7.233597571e-01 -7.233597571e-01 5.08 -7.077269999e-01 -7.077269999e-01 5.10 -6.922676837e-01 -6.922676837e-01 5.12 -6.769697620e-01 -6.769697620e-01 5.14 -6.618243362e-01 -6.618243362e-01 5.16 -6.468266935e-01 -6.468266935e-01 5.18 -6.319771891e-01 -6.319771891e-01 5.20 -6.172819577e-01 -6.172819577e-01 5.22 -6.027531063e-01 -6.027531063e-01 5.24 -5.884074043e-01 -5.884074043e-01 5.26 -5.742663014e-01 -5.742663014e-01 5.28 -5.603556078e-01 -5.603556078e-01 5.30 -5.467017161e-01 -5.467017161e-01 5.32 -5.333290281e-01 -5.333290281e-01 5.34 -5.202576021e-01 -5.202576021e-01 5.36 -5.075012184e-01 -5.075012184e-01 5.38 -4.950663095e-01 -4.950663095e-01 5.40 -4.829516498e-01 -4.829516498e-01 5.42 -4.711489475e-01 -4.711489475e-01 5.44 -4.596439899e-01 -4.596439899e-01 5.46 -4.484182462e-01 -4.484182462e-01 5.48 -4.374506210e-01 -4.374506210e-01 5.50 -4.267191852e-01 -4.267191852e-01 5.52 -4.162027662e-01 -4.162027662e-01 5.54 -4.058822456e-01 -4.058822456e-01 5.56 -3.957415989e-01 -3.957415989e-01 5.58 -3.857685291e-01 -3.857685291e-01 5.60 -3.759547951e-01 -3.759547951e-01 5.62 -3.662961110e-01 -3.662961110e-01 5.64 -3.567917324e-01 -3.567917324e-01 5.66 -3.474434404e-01 -3.474434404e-01 5.68 -3.382538489e-01 -3.382538489e-01 5.70 -3.292275373e-01 -3.292275373e-01 5.72 -3.203685670e-01 -3.203685670e-01 5.74 -3.116790643e-01 -3.116790643e-01 5.76 -3.031582410e-01 -3.031582410e-01 5.78 -2.948017778e-01 -2.948017778e-01 5.80 -2.866015443e-01 -2.866015443e-01 5.82 -2.785457640e-01 -2.785457640e-01 5.84 -2.706195059e-01 -2.706195059e-01 5.86 -2.628055289e-01 -2.628055289e-01 5.88 -2.550853377e-01 -2.550853377e-01 5.90 -2.474404226e-01 -2.474404226e-01 5.92 -2.398535904e-01 -2.398535904e-01 5.94 -2.323102931e-01 -2.323102931e-01 5.96 -2.247998581e-01 -2.247998581e-01 5.98 -2.173165495e-01 -2.173165495e-01 6.00 -2.098603647e-01 -2.098603647e-01