# 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 = Ta2TiZr # 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 3.273602682e+02 3.273602682e+02 1.28 3.047077423e+02 3.047077423e+02 1.30 2.836778758e+02 2.836778758e+02 1.32 2.641323458e+02 2.641323458e+02 1.34 2.459499246e+02 2.459499246e+02 1.36 2.290247257e+02 2.290247257e+02 1.38 2.132623760e+02 2.132623760e+02 1.40 1.985765167e+02 1.985765167e+02 1.42 1.848870690e+02 1.848870690e+02 1.44 1.721207591e+02 1.721207591e+02 1.46 1.602120976e+02 1.602120976e+02 1.48 1.491019796e+02 1.491019796e+02 1.50 1.387353157e+02 1.387353157e+02 1.52 1.290586273e+02 1.290586273e+02 1.54 1.200194221e+02 1.200194221e+02 1.56 1.115676187e+02 1.115676187e+02 1.58 1.036580207e+02 1.036580207e+02 1.60 9.625089047e+01 9.625089047e+01 1.62 8.931203331e+01 8.931203331e+01 1.64 8.281207184e+01 8.281207184e+01 1.66 7.672537783e+01 7.672537783e+01 1.68 7.102809275e+01 7.102809275e+01 1.70 6.570248668e+01 6.570248668e+01 1.72 6.072991780e+01 6.072991780e+01 1.74 5.608802982e+01 5.608802982e+01 1.76 5.175488992e+01 5.175488992e+01 1.78 4.770958380e+01 4.770958380e+01 1.80 4.393277655e+01 4.393277655e+01 1.82 4.040669682e+01 4.040669682e+01 1.84 3.711544051e+01 3.711544051e+01 1.86 3.404462515e+01 3.404462515e+01 1.88 3.118085981e+01 3.118085981e+01 1.90 2.851136500e+01 2.851136500e+01 1.92 2.602374524e+01 2.602374524e+01 1.94 2.370611795e+01 2.370611795e+01 1.96 2.154716192e+01 2.154716192e+01 1.98 1.953599572e+01 1.953599572e+01 2.00 1.766191565e+01 1.766191565e+01 2.02 1.591434493e+01 1.591434493e+01 2.04 1.428299408e+01 1.428299408e+01 2.06 1.275839677e+01 1.275839677e+01 2.08 1.133224158e+01 1.133224158e+01 2.10 9.997507781e+00 9.997507781e+00 2.12 8.748302114e+00 8.748302114e+00 2.14 7.579444342e+00 7.579444342e+00 2.16 6.486252025e+00 6.486252025e+00 2.18 5.464322288e+00 5.464322288e+00 2.20 4.509589047e+00 4.509589047e+00 2.22 3.618398282e+00 3.618398282e+00 2.24 2.787526700e+00 2.787526700e+00 2.26 2.014002689e+00 2.014002689e+00 2.28 1.294999994e+00 1.294999994e+00 2.30 6.276375952e-01 6.276375952e-01 2.32 8.785504703e-03 8.785504703e-03 2.34 -5.649593679e-01 -5.649593679e-01 2.36 -1.097159830e+00 -1.097159830e+00 2.38 -1.591359249e+00 -1.591359249e+00 2.40 -2.050788750e+00 -2.050788750e+00 2.42 -2.478269950e+00 -2.478269950e+00 2.44 -2.876169397e+00 -2.876169397e+00 2.46 -3.246440118e+00 -3.246440118e+00 2.48 -3.590696417e+00 -3.590696417e+00 2.50 -3.910312680e+00 -3.910312680e+00 2.52 -4.206537765e+00 -4.206537765e+00 2.54 -4.480595865e+00 -4.480595865e+00 2.56 -4.733737599e+00 -4.733737599e+00 2.58 -4.967218918e+00 -4.967218918e+00 2.60 -5.182324653e+00 -5.182324653e+00 2.62 -5.380229414e+00 -5.380229414e+00 2.64 -5.562045078e+00 -5.562045078e+00 2.66 -5.728778299e+00 -5.728778299e+00 2.68 -5.881312623e+00 -5.881312623e+00 2.70 -6.020406571e+00 -6.020406571e+00 2.72 -6.146715106e+00 -6.146715106e+00 2.74 -6.260806085e+00 -6.260806085e+00 2.76 -6.362819281e+00 -6.362819281e+00 2.78 -6.452105213e+00 -6.452105213e+00 2.80 -6.529360032e+00 -6.529360032e+00 2.82 -6.594873274e+00 -6.594873274e+00 2.84 -6.649136164e+00 -6.649136164e+00 2.86 -6.692943179e+00 -6.692943179e+00 2.88 -6.727132811e+00 -6.727132811e+00 2.90 -6.752435795e+00 -6.752435795e+00 2.92 -6.769538708e+00 -6.769538708e+00 2.94 -6.779036967e+00 -6.779036967e+00 2.96 -6.781433957e+00 -6.781433957e+00 2.98 -6.777261136e+00 -6.777261136e+00 3.00 -6.766827719e+00 -6.766827719e+00 3.02 -6.750104795e+00 -6.750104795e+00 3.04 -6.727135031e+00 -6.727135031e+00 3.06 -6.697983785e+00 -6.697983785e+00 3.08 -6.662648756e+00 -6.662648756e+00 3.10 -6.621039986e+00 -6.621039986e+00 3.12 -6.573122118e+00 -6.573122118e+00 3.14 -6.518903820e+00 -6.518903820e+00 3.16 -6.458469144e+00 -6.458469144e+00 3.18 -6.392000300e+00 -6.392000300e+00 3.20 -6.319779774e+00 -6.319779774e+00 3.22 -6.242168324e+00 -6.242168324e+00 3.24 -6.159570993e+00 -6.159570993e+00 3.26 -6.072407124e+00 -6.072407124e+00 3.28 -5.981096821e+00 -5.981096821e+00 3.30 -5.886062739e+00 -5.886062739e+00 3.32 -5.787740298e+00 -5.787740298e+00 3.34 -5.686581251e+00 -5.686581251e+00 3.36 -5.583092681e+00 -5.583092681e+00 3.38 -5.477794356e+00 -5.477794356e+00 3.40 -5.371254302e+00 -5.371254302e+00 3.42 -5.264070593e+00 -5.264070593e+00 3.44 -5.156844767e+00 -5.156844767e+00 3.46 -5.050138839e+00 -5.050138839e+00 3.48 -4.944420962e+00 -4.944420962e+00 3.50 -4.840017289e+00 -4.840017289e+00 3.52 -4.737083233e+00 -4.737083233e+00 3.54 -4.635603183e+00 -4.635603183e+00 3.56 -4.535415273e+00 -4.535415273e+00 3.58 -4.436251896e+00 -4.436251896e+00 3.60 -4.337785554e+00 -4.337785554e+00 3.62 -4.239671987e+00 -4.239671987e+00 3.64 -4.141587745e+00 -4.141587745e+00 3.66 -4.043260719e+00 -4.043260719e+00 3.68 -3.944494246e+00 -3.944494246e+00 3.70 -3.845183912e+00 -3.845183912e+00 3.72 -3.745326460e+00 -3.745326460e+00 3.74 -3.645018518e+00 -3.645018518e+00 3.76 -3.544446216e+00 -3.544446216e+00 3.78 -3.443867622e+00 -3.443867622e+00 3.80 -3.343592035e+00 -3.343592035e+00 3.82 -3.243959590e+00 -3.243959590e+00 3.84 -3.145324221e+00 -3.145324221e+00 3.86 -3.048026834e+00 -3.048026834e+00 3.88 -2.952439978e+00 -2.952439978e+00 3.90 -2.858871294e+00 -2.858871294e+00 3.92 -2.767619038e+00 -2.767619038e+00 3.94 -2.678951172e+00 -2.678951172e+00 3.96 -2.593103535e+00 -2.593103535e+00 3.98 -2.510279400e+00 -2.510279400e+00 4.00 -2.430649548e+00 -2.430649548e+00 4.02 -2.354356996e+00 -2.354356996e+00 4.04 -2.281432071e+00 -2.281432071e+00 4.06 -2.212063018e+00 -2.212063018e+00 4.08 -2.146184553e+00 -2.146184553e+00 4.10 -2.083749015e+00 -2.083749015e+00 4.12 -2.024654953e+00 -2.024654953e+00 4.14 -1.968752993e+00 -1.968752993e+00 4.16 -1.915856145e+00 -1.915856145e+00 4.18 -1.865752530e+00 -1.865752530e+00 4.20 -1.818218252e+00 -1.818218252e+00 4.22 -1.773028652e+00 -1.773028652e+00 4.24 -1.729967052e+00 -1.729967052e+00 4.26 -1.688830757e+00 -1.688830757e+00 4.28 -1.649434402e+00 -1.649434402e+00 4.30 -1.611611379e+00 -1.611611379e+00 4.32 -1.575213904e+00 -1.575213904e+00 4.34 -1.540112064e+00 -1.540112064e+00 4.36 -1.506192340e+00 -1.506192340e+00 4.38 -1.473355957e+00 -1.473355957e+00 4.40 -1.441517166e+00 -1.441517166e+00 4.42 -1.410601533e+00 -1.410601533e+00 4.44 -1.380544410e+00 -1.380544410e+00 4.46 -1.351289584e+00 -1.351289584e+00 4.48 -1.322788033e+00 -1.322788033e+00 4.50 -1.294996861e+00 -1.294996861e+00 4.52 -1.267878411e+00 -1.267878411e+00 4.54 -1.241399466e+00 -1.241399466e+00 4.56 -1.215530574e+00 -1.215530574e+00 4.58 -1.190245480e+00 -1.190245480e+00 4.60 -1.165520642e+00 -1.165520642e+00 4.62 -1.141334800e+00 -1.141334800e+00 4.64 -1.117668617e+00 -1.117668617e+00 4.66 -1.094504376e+00 -1.094504376e+00 4.68 -1.071825704e+00 -1.071825704e+00 4.70 -1.049617350e+00 -1.049617350e+00 4.72 -1.027833802e+00 -1.027833802e+00 4.74 -1.006529535e+00 -1.006529535e+00 4.76 -9.856533283e-01 -9.856533283e-01 4.78 -9.651927030e-01 -9.651927030e-01 4.80 -9.451353866e-01 -9.451353866e-01 4.82 -9.254691874e-01 -9.254691874e-01 4.84 -9.061818704e-01 -9.061818704e-01 4.86 -8.872610456e-01 -8.872610456e-01 4.88 -8.686940499e-01 -8.686940499e-01 4.90 -8.504678457e-01 -8.504678457e-01 4.92 -8.325689235e-01 -8.325689235e-01 4.94 -8.149832309e-01 -8.149832309e-01 4.96 -7.976961192e-01 -7.976961192e-01 4.98 -7.806923410e-01 -7.806923410e-01 5.00 -7.639560955e-01 -7.639560955e-01 5.02 -7.474711644e-01 -7.474711644e-01 5.04 -7.312211470e-01 -7.312211470e-01 5.06 -7.151898256e-01 -7.151898256e-01 5.08 -6.993616897e-01 -6.993616897e-01 5.10 -6.837226070e-01 -6.837226070e-01 5.12 -6.682606808e-01 -6.682606808e-01 5.14 -6.529671819e-01 -6.529671819e-01 5.16 -6.378375772e-01 -6.378375772e-01 5.18 -6.228724024e-01 -6.228724024e-01 5.20 -6.080779658e-01 -6.080779658e-01 5.22 -5.934665345e-01 -5.934665345e-01 5.24 -5.790550165e-01 -5.790550165e-01 5.26 -5.648649862e-01 -5.648649862e-01 5.28 -5.509223739e-01 -5.509223739e-01 5.30 -5.372536804e-01 -5.372536804e-01 5.32 -5.238833976e-01 -5.238833976e-01 5.34 -5.108316395e-01 -5.108316395e-01 5.36 -4.981121735e-01 -4.981121735e-01 5.38 -4.857313019e-01 -4.857313019e-01 5.40 -4.736874780e-01 -4.736874780e-01 5.42 -4.619718089e-01 -4.619718089e-01 5.44 -4.505691053e-01 -4.505691053e-01 5.46 -4.394593901e-01 -4.394593901e-01 5.48 -4.286195609e-01 -4.286195609e-01 5.50 -4.180250706e-01 -4.180250706e-01 5.52 -4.076515046e-01 -4.076515046e-01 5.54 -3.974759391e-01 -3.974759391e-01 5.56 -3.874781148e-01 -3.874781148e-01 5.58 -3.776412919e-01 -3.776412919e-01 5.60 -3.679528798e-01 -3.679528798e-01 5.62 -3.584046842e-01 -3.584046842e-01 5.64 -3.489928651e-01 -3.489928651e-01 5.66 -3.397171532e-01 -3.397171532e-01 5.68 -3.305796834e-01 -3.305796834e-01 5.70 -3.215858911e-01 -3.215858911e-01 5.72 -3.127419786e-01 -3.127419786e-01 5.74 -3.040533629e-01 -3.040533629e-01 5.76 -2.955233352e-01 -2.955233352e-01 5.78 -2.871520246e-01 -2.871520246e-01 5.80 -2.789357067e-01 -2.789357067e-01 5.82 -2.708666363e-01 -2.708666363e-01 5.84 -2.629333042e-01 -2.629333042e-01 5.86 -2.551211766e-01 -2.551211766e-01 5.88 -2.474137406e-01 -2.474137406e-01 5.90 -2.397938239e-01 -2.397938239e-01 5.92 -2.322450472e-01 -2.322450472e-01 5.94 -2.247532986e-01 -2.247532986e-01 5.96 -2.173081046e-01 -2.173081046e-01 5.98 -2.099038143e-01 -2.099038143e-01 6.00 -2.025404948e-01 -2.025404948e-01