# 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 = HfNb2Zr # 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 3.815086943e+02 3.815086943e+02 1.28 3.556712884e+02 3.556712884e+02 1.30 3.316536715e+02 3.316536715e+02 1.32 3.093052194e+02 3.093052194e+02 1.34 2.884909015e+02 2.884909015e+02 1.36 2.690906950e+02 2.690906950e+02 1.38 2.509944418e+02 2.509944418e+02 1.40 2.341005115e+02 2.341005115e+02 1.42 2.183184283e+02 2.183184283e+02 1.44 2.035685495e+02 2.035685495e+02 1.46 1.897805863e+02 1.897805863e+02 1.48 1.768917336e+02 1.768917336e+02 1.50 1.648446999e+02 1.648446999e+02 1.52 1.535826274e+02 1.535826274e+02 1.54 1.430479522e+02 1.430479522e+02 1.56 1.331849227e+02 1.331849227e+02 1.58 1.239428578e+02 1.239428578e+02 1.60 1.152767808e+02 1.152767808e+02 1.62 1.071483772e+02 1.071483772e+02 1.64 9.952448916e+01 9.952448916e+01 1.66 9.237629144e+01 9.237629144e+01 1.68 8.567765379e+01 8.567765379e+01 1.70 7.940441247e+01 7.940441247e+01 1.72 7.353442152e+01 7.353442152e+01 1.74 6.805551860e+01 6.805551860e+01 1.76 6.294390894e+01 6.294390894e+01 1.78 5.817376931e+01 5.817376931e+01 1.80 5.372058586e+01 5.372058586e+01 1.82 4.956133566e+01 4.956133566e+01 1.84 4.567586351e+01 4.567586351e+01 1.86 4.204649040e+01 4.204649040e+01 1.88 3.865754004e+01 3.865754004e+01 1.90 3.549485963e+01 3.549485963e+01 1.92 3.254489445e+01 3.254489445e+01 1.94 2.979463035e+01 2.979463035e+01 1.96 2.723139852e+01 2.723139852e+01 1.98 2.484269394e+01 2.484269394e+01 2.00 2.261589372e+01 2.261589372e+01 2.02 2.053839192e+01 2.053839192e+01 2.04 1.859787547e+01 1.859787547e+01 2.06 1.678316527e+01 1.678316527e+01 2.08 1.508441773e+01 1.508441773e+01 2.10 1.349329748e+01 1.349329748e+01 2.12 1.200287077e+01 1.200287077e+01 2.14 1.060722027e+01 1.060722027e+01 2.16 9.301439800e+00 9.301439800e+00 2.18 8.081174443e+00 8.081174443e+00 2.20 6.942364041e+00 6.942364041e+00 2.22 5.880968184e+00 5.880968184e+00 2.24 4.892898925e+00 4.892898925e+00 2.26 3.973885412e+00 3.973885412e+00 2.28 3.119733064e+00 3.119733064e+00 2.30 2.326219701e+00 2.326219701e+00 2.32 1.589026083e+00 1.589026083e+00 2.34 9.038321938e-01 9.038321938e-01 2.36 2.665309843e-01 2.665309843e-01 2.38 -3.266483996e-01 -3.266483996e-01 2.40 -8.788787404e-01 -8.788787404e-01 2.42 -1.392868127e+00 -1.392868127e+00 2.44 -1.870932200e+00 -1.870932200e+00 2.46 -2.315116401e+00 -2.315116401e+00 2.48 -2.727309937e+00 -2.727309937e+00 2.50 -3.109349925e+00 -3.109349925e+00 2.52 -3.463107667e+00 -3.463107667e+00 2.54 -3.790532917e+00 -3.790532917e+00 2.56 -4.093629211e+00 -4.093629211e+00 2.58 -4.374332033e+00 -4.374332033e+00 2.60 -4.634531841e+00 -4.634531841e+00 2.62 -4.875749396e+00 -4.875749396e+00 2.64 -5.099234250e+00 -5.099234250e+00 2.66 -5.305904154e+00 -5.305904154e+00 2.68 -5.496398311e+00 -5.496398311e+00 2.70 -5.671199518e+00 -5.671199518e+00 2.72 -5.830778423e+00 -5.830778423e+00 2.74 -5.975643714e+00 -5.975643714e+00 2.76 -6.106530189e+00 -6.106530189e+00 2.78 -6.224123449e+00 -6.224123449e+00 2.80 -6.329204915e+00 -6.329204915e+00 2.82 -6.422649337e+00 -6.422649337e+00 2.84 -6.505021149e+00 -6.505021149e+00 2.86 -6.575592021e+00 -6.575592021e+00 2.88 -6.635037676e+00 -6.635037676e+00 2.90 -6.684328888e+00 -6.684328888e+00 2.92 -6.724333880e+00 -6.724333880e+00 2.94 -6.755792622e+00 -6.755792622e+00 2.96 -6.779295016e+00 -6.779295016e+00 2.98 -6.795355267e+00 -6.795355267e+00 3.00 -6.804366890e+00 -6.804366890e+00 3.02 -6.806811294e+00 -6.806811294e+00 3.04 -6.803008590e+00 -6.803008590e+00 3.06 -6.793185730e+00 -6.793185730e+00 3.08 -6.777349541e+00 -6.777349541e+00 3.10 -6.755305906e+00 -6.755305906e+00 3.12 -6.726940422e+00 -6.726940422e+00 3.14 -6.692143964e+00 -6.692143964e+00 3.16 -6.650819233e+00 -6.650819233e+00 3.18 -6.602891468e+00 -6.602891468e+00 3.20 -6.548323506e+00 -6.548323506e+00 3.22 -6.487133308e+00 -6.487133308e+00 3.24 -6.419412134e+00 -6.419412134e+00 3.26 -6.345338612e+00 -6.345338612e+00 3.28 -6.265185910e+00 -6.265185910e+00 3.30 -6.179319677e+00 -6.179319677e+00 3.32 -6.088190348e+00 -6.088190348e+00 3.34 -5.992308686e+00 -5.992308686e+00 3.36 -5.892317179e+00 -5.892317179e+00 3.38 -5.788882775e+00 -5.788882775e+00 3.40 -5.682784973e+00 -5.682784973e+00 3.42 -5.574885499e+00 -5.574885499e+00 3.44 -5.466090938e+00 -5.466090938e+00 3.46 -5.357286296e+00 -5.357286296e+00 3.48 -5.249251012e+00 -5.249251012e+00 3.50 -5.142583512e+00 -5.142583512e+00 3.52 -5.037655408e+00 -5.037655408e+00 3.54 -4.934606784e+00 -4.934606784e+00 3.56 -4.833377035e+00 -4.833377035e+00 3.58 -4.733756743e+00 -4.733756743e+00 3.60 -4.635444854e+00 -4.635444854e+00 3.62 -4.538099391e+00 -4.538099391e+00 3.64 -4.441376806e+00 -4.441376806e+00 3.66 -4.344958997e+00 -4.344958997e+00 3.68 -4.248570150e+00 -4.248570150e+00 3.70 -4.151986330e+00 -4.151986330e+00 3.72 -4.055040890e+00 -4.055040890e+00 3.74 -3.957627786e+00 -3.957627786e+00 3.76 -3.859704895e+00 -3.859704895e+00 3.78 -3.761297915e+00 -3.761297915e+00 3.80 -3.662503706e+00 -3.662503706e+00 3.82 -3.563490206e+00 -3.563490206e+00 3.84 -3.464491644e+00 -3.464491644e+00 3.86 -3.365760405e+00 -3.365760405e+00 3.88 -3.267707374e+00 -3.267707374e+00 3.90 -3.170640113e+00 -3.170640113e+00 3.92 -3.074922999e+00 -3.074922999e+00 3.94 -2.980921681e+00 -2.980921681e+00 3.96 -2.888997885e+00 -2.888997885e+00 3.98 -2.799505527e+00 -2.799505527e+00 4.00 -2.712785232e+00 -2.712785232e+00 4.02 -2.629166657e+00 -2.629166657e+00 4.04 -2.548779303e+00 -2.548779303e+00 4.06 -2.472131032e+00 -2.472131032e+00 4.08 -2.399214682e+00 -2.399214682e+00 4.10 -2.330090446e+00 -2.330090446e+00 4.12 -2.264728155e+00 -2.264728155e+00 4.14 -2.203014609e+00 -2.203014609e+00 4.16 -2.144768918e+00 -2.144768918e+00 4.18 -2.089762230e+00 -2.089762230e+00 4.20 -2.037737995e+00 -2.037737995e+00 4.22 -1.988429899e+00 -1.988429899e+00 4.24 -1.941575956e+00 -1.941575956e+00 4.26 -1.896928368e+00 -1.896928368e+00 4.28 -1.854259399e+00 -1.854259399e+00 4.30 -1.813364231e+00 -1.813364231e+00 4.32 -1.774061679e+00 -1.774061679e+00 4.34 -1.736193361e+00 -1.736193361e+00 4.36 -1.699621986e+00 -1.699621986e+00 4.38 -1.664229281e+00 -1.664229281e+00 4.40 -1.629913728e+00 -1.629913728e+00 4.42 -1.596588264e+00 -1.596588264e+00 4.44 -1.564178187e+00 -1.564178187e+00 4.46 -1.532619280e+00 -1.532619280e+00 4.48 -1.501856136e+00 -1.501856136e+00 4.50 -1.471840744e+00 -1.471840744e+00 4.52 -1.442531335e+00 -1.442531335e+00 4.54 -1.413891400e+00 -1.413891400e+00 4.56 -1.385888860e+00 -1.385888860e+00 4.58 -1.358495402e+00 -1.358495402e+00 4.60 -1.331685912e+00 -1.331685912e+00 4.62 -1.305437990e+00 -1.305437990e+00 4.64 -1.279731543e+00 -1.279731543e+00 4.66 -1.254548450e+00 -1.254548450e+00 4.68 -1.229872267e+00 -1.229872267e+00 4.70 -1.205688008e+00 -1.205688008e+00 4.72 -1.181905977e+00 -1.181905977e+00 4.74 -1.158678884e+00 -1.158678884e+00 4.76 -1.135902665e+00 -1.135902665e+00 4.78 -1.113566687e+00 -1.113566687e+00 4.80 -1.091660867e+00 -1.091660867e+00 4.82 -1.070175586e+00 -1.070175586e+00 4.84 -1.049101627e+00 -1.049101627e+00 4.86 -1.028430110e+00 -1.028430110e+00 4.88 -1.008152441e+00 -1.008152441e+00 4.90 -9.882602557e-01 -9.882602557e-01 4.92 -9.687453780e-01 -9.687453780e-01 4.94 -9.495997726e-01 -9.495997726e-01 4.96 -9.308155017e-01 -9.308155017e-01 4.98 -9.123846831e-01 -9.123846831e-01 5.00 -8.942994477e-01 -8.942994477e-01 5.02 -8.765518947e-01 -8.765518947e-01 5.04 -8.591340449e-01 -8.591340449e-01 5.06 -8.420377943e-01 -8.420377943e-01 5.08 -8.252548593e-01 -8.252548593e-01 5.10 -8.087767238e-01 -8.087767238e-01 5.12 -7.925945762e-01 -7.925945762e-01 5.14 -7.766992488e-01 -7.766992488e-01 5.16 -7.610811447e-01 -7.610811447e-01 5.18 -7.457301694e-01 -7.457301694e-01 5.20 -7.306356515e-01 -7.306356515e-01 5.22 -7.157862695e-01 -7.157862695e-01 5.24 -7.011699721e-01 -7.011699721e-01 5.26 -6.867739138e-01 -6.867739138e-01 5.28 -6.725843896e-01 -6.725843896e-01 5.30 -6.585868007e-01 -6.585868007e-01 5.32 -6.447656360e-01 -6.447656360e-01 5.34 -6.311045073e-01 -6.311045073e-01 5.36 -6.175862287e-01 -6.175862287e-01 5.38 -6.041929822e-01 -6.041929822e-01 5.40 -5.909065723e-01 -5.909065723e-01 5.42 -5.777087974e-01 -5.777087974e-01 5.44 -5.645819643e-01 -5.645819643e-01 5.46 -5.515095447e-01 -5.515095447e-01 5.48 -5.384770184e-01 -5.384770184e-01 5.50 -5.254728229e-01 -5.254728229e-01 5.52 -5.124894754e-01 -5.124894754e-01 5.54 -4.995246744e-01 -4.995246744e-01 5.56 -4.865824422e-01 -4.865824422e-01 5.58 -4.736739954e-01 -4.736739954e-01 5.60 -4.608183942e-01 -4.608183942e-01 5.62 -4.480426056e-01 -4.480426056e-01 5.64 -4.353810526e-01 -4.353810526e-01 5.66 -4.228737138e-01 -4.228737138e-01 5.68 -4.105629350e-01 -4.105629350e-01 5.70 -3.984966514e-01 -3.984966514e-01 5.72 -3.867224978e-01 -3.867224978e-01 5.74 -3.752845021e-01 -3.752845021e-01 5.76 -3.642204566e-01 -3.642204566e-01 5.78 -3.535599679e-01 -3.535599679e-01 5.80 -3.433231331e-01 -3.433231331e-01 5.82 -3.335201595e-01 -3.335201595e-01 5.84 -3.241516254e-01 -3.241516254e-01 5.86 -3.152094517e-01 -3.152094517e-01 5.88 -3.066782051e-01 -3.066782051e-01 5.90 -2.985366635e-01 -2.985366635e-01 5.92 -2.907593620e-01 -2.907593620e-01 5.94 -2.833180395e-01 -2.833180395e-01 5.96 -2.761828769e-01 -2.761828769e-01 5.98 -2.693234771e-01 -2.693234771e-01 6.00 -2.627096037e-01 -2.627096037e-01