# 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 = NbTa2Zr # 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 3.850873061e+02 3.850873061e+02 1.28 3.582971165e+02 3.582971165e+02 1.30 3.334398281e+02 3.334398281e+02 1.32 3.103624468e+02 3.103624468e+02 1.34 2.889235740e+02 2.889235740e+02 1.36 2.689923080e+02 2.689923080e+02 1.38 2.504489023e+02 2.504489023e+02 1.40 2.331862180e+02 2.331862180e+02 1.42 2.171074777e+02 2.171074777e+02 1.44 2.021228309e+02 2.021228309e+02 1.46 1.881485143e+02 1.881485143e+02 1.48 1.751075597e+02 1.751075597e+02 1.50 1.629293545e+02 1.629293545e+02 1.52 1.515483924e+02 1.515483924e+02 1.54 1.409037172e+02 1.409037172e+02 1.56 1.309400843e+02 1.309400843e+02 1.58 1.216094815e+02 1.216094815e+02 1.60 1.128706832e+02 1.128706832e+02 1.62 1.046873970e+02 1.046873970e+02 1.64 9.702625937e+01 9.702625937e+01 1.66 8.985574174e+01 8.985574174e+01 1.68 8.314599845e+01 8.314599845e+01 1.70 7.686883575e+01 7.686883575e+01 1.72 7.099760429e+01 7.099760429e+01 1.74 6.550684568e+01 6.550684568e+01 1.76 6.037854071e+01 6.037854071e+01 1.78 5.559850884e+01 5.559850884e+01 1.80 5.114207544e+01 5.114207544e+01 1.82 4.698561625e+01 4.698561625e+01 1.84 4.310783199e+01 4.310783199e+01 1.86 3.948981855e+01 3.948981855e+01 1.88 3.611502576e+01 3.611502576e+01 1.90 3.296870429e+01 3.296870429e+01 1.92 3.003728701e+01 3.003728701e+01 1.94 2.730782490e+01 2.730782490e+01 1.96 2.476763630e+01 2.476763630e+01 1.98 2.240423421e+01 2.240423421e+01 2.00 2.020532157e+01 2.020532157e+01 2.02 1.815887851e+01 1.815887851e+01 2.04 1.625335633e+01 1.625335633e+01 2.06 1.447793182e+01 1.447793182e+01 2.08 1.282277989e+01 1.282277989e+01 2.10 1.127916159e+01 1.127916159e+01 2.12 9.839397148e+00 9.839397148e+00 2.14 8.496668999e+00 8.496668999e+00 2.16 7.244952839e+00 7.244952839e+00 2.18 6.078769844e+00 6.078769844e+00 2.20 4.993070614e+00 4.993070614e+00 2.22 3.983153521e+00 3.983153521e+00 2.24 3.044633417e+00 3.044633417e+00 2.26 2.173394617e+00 2.173394617e+00 2.28 1.365468921e+00 1.365468921e+00 2.30 6.169632143e-01 6.169632143e-01 2.32 -7.610486689e-02 -7.610486689e-02 2.34 -7.178020043e-01 -7.178020043e-01 2.36 -1.312162731e+00 -1.312162731e+00 2.38 -1.863059244e+00 -1.863059244e+00 2.40 -2.374001323e+00 -2.374001323e+00 2.42 -2.848119869e+00 -2.848119869e+00 2.44 -3.288153082e+00 -3.288153082e+00 2.46 -3.696478065e+00 -3.696478065e+00 2.48 -4.075157768e+00 -4.075157768e+00 2.50 -4.426001459e+00 -4.426001459e+00 2.52 -4.750635049e+00 -4.750635049e+00 2.54 -5.050570743e+00 -5.050570743e+00 2.56 -5.327256439e+00 -5.327256439e+00 2.58 -5.582080605e+00 -5.582080605e+00 2.60 -5.816419310e+00 -5.816419310e+00 2.62 -6.031522044e+00 -6.031522044e+00 2.64 -6.228555004e+00 -6.228555004e+00 2.66 -6.408563647e+00 -6.408563647e+00 2.68 -6.572465659e+00 -6.572465659e+00 2.70 -6.721062693e+00 -6.721062693e+00 2.72 -6.855068988e+00 -6.855068988e+00 2.74 -6.975126300e+00 -6.975126300e+00 2.76 -7.081899739e+00 -7.081899739e+00 2.78 -7.175994755e+00 -7.175994755e+00 2.80 -7.257886674e+00 -7.257886674e+00 2.82 -7.326167356e+00 -7.326167356e+00 2.84 -7.381243873e+00 -7.381243873e+00 2.86 -7.424335306e+00 -7.424335306e+00 2.88 -7.456567314e+00 -7.456567314e+00 2.90 -7.478971166e+00 -7.478971166e+00 2.92 -7.492412474e+00 -7.492412474e+00 2.94 -7.497613117e+00 -7.497613117e+00 2.96 -7.495211101e+00 -7.495211101e+00 2.98 -7.485767998e+00 -7.485767998e+00 3.00 -7.469655714e+00 -7.469655714e+00 3.02 -7.447240826e+00 -7.447240826e+00 3.04 -7.418531828e+00 -7.418531828e+00 3.06 -7.383359490e+00 -7.383359490e+00 3.08 -7.341624245e+00 -7.341624245e+00 3.10 -7.293140644e+00 -7.293140644e+00 3.12 -7.237760317e+00 -7.237760317e+00 3.14 -7.175343890e+00 -7.175343890e+00 3.16 -7.105771414e+00 -7.105771414e+00 3.18 -7.028957230e+00 -7.028957230e+00 3.20 -6.944869596e+00 -6.944869596e+00 3.22 -6.853552491e+00 -6.853552491e+00 3.24 -6.755148405e+00 -6.755148405e+00 3.26 -6.649916397e+00 -6.649916397e+00 3.28 -6.538242537e+00 -6.538242537e+00 3.30 -6.420637698e+00 -6.420637698e+00 3.32 -6.297723817e+00 -6.297723817e+00 3.34 -6.170203789e+00 -6.170203789e+00 3.36 -6.038869862e+00 -6.038869862e+00 3.38 -5.904530175e+00 -5.904530175e+00 3.40 -5.768026551e+00 -5.768026551e+00 3.42 -5.630202604e+00 -5.630202604e+00 3.44 -5.491869541e+00 -5.491869541e+00 3.46 -5.353760164e+00 -5.353760164e+00 3.48 -5.216474115e+00 -5.216474115e+00 3.50 -5.080431540e+00 -5.080431540e+00 3.52 -4.945847266e+00 -4.945847266e+00 3.54 -4.812734874e+00 -4.812734874e+00 3.56 -4.680936742e+00 -4.680936742e+00 3.58 -4.550170731e+00 -4.550170731e+00 3.60 -4.420082256e+00 -4.420082256e+00 3.62 -4.290292979e+00 -4.290292979e+00 3.64 -4.160442825e+00 -4.160442825e+00 3.66 -4.030223536e+00 -4.030223536e+00 3.68 -3.899405138e+00 -3.899405138e+00 3.70 -3.767856152e+00 -3.767856152e+00 3.72 -3.635559255e+00 -3.635559255e+00 3.74 -3.502620586e+00 -3.502620586e+00 3.76 -3.369273611e+00 -3.369273611e+00 3.78 -3.235876226e+00 -3.235876226e+00 3.80 -3.102900269e+00 -3.102900269e+00 3.82 -2.970912630e+00 -2.970912630e+00 3.84 -2.840549676e+00 -2.840549676e+00 3.86 -2.712469120e+00 -2.712469120e+00 3.88 -2.587388038e+00 -2.587388038e+00 3.90 -2.465936560e+00 -2.465936560e+00 3.92 -2.348709470e+00 -2.348709470e+00 3.94 -2.236223474e+00 -2.236223474e+00 3.96 -2.128904188e+00 -2.128904188e+00 3.98 -2.027080058e+00 -2.027080058e+00 4.00 -1.930982266e+00 -1.930982266e+00 4.02 -1.840754106e+00 -1.840754106e+00 4.04 -1.756366841e+00 -1.756366841e+00 4.06 -1.677919562e+00 -1.677919562e+00 4.08 -1.605207140e+00 -1.605207140e+00 4.10 -1.538021535e+00 -1.538021535e+00 4.12 -1.476084221e+00 -1.476084221e+00 4.14 -1.419060356e+00 -1.419060356e+00 4.16 -1.366576239e+00 -1.366576239e+00 4.18 -1.318237823e+00 -1.318237823e+00 4.20 -1.273647846e+00 -1.273647846e+00 4.22 -1.232419936e+00 -1.232419936e+00 4.24 -1.194189186e+00 -1.194189186e+00 4.26 -1.158617413e+00 -1.158617413e+00 4.28 -1.125396675e+00 -1.125396675e+00 4.30 -1.094258086e+00 -1.094258086e+00 4.32 -1.064962626e+00 -1.064962626e+00 4.34 -1.037299675e+00 -1.037299675e+00 4.36 -1.011085110e+00 -1.011085110e+00 4.38 -9.861589407e-01 -9.861589407e-01 4.40 -9.623827079e-01 -9.623827079e-01 4.42 -9.396367832e-01 -9.396367832e-01 4.44 -9.178179448e-01 -9.178179448e-01 4.46 -8.968372086e-01 -8.968372086e-01 4.48 -8.766177914e-01 -8.766177914e-01 4.50 -8.570933667e-01 -8.570933667e-01 4.52 -8.382065941e-01 -8.382065941e-01 4.54 -8.199078040e-01 -8.199078040e-01 4.56 -8.021538561e-01 -8.021538561e-01 4.58 -7.849071987e-01 -7.849071987e-01 4.60 -7.681350610e-01 -7.681350610e-01 4.62 -7.518087321e-01 -7.518087321e-01 4.64 -7.359029706e-01 -7.359029706e-01 4.66 -7.203955109e-01 -7.203955109e-01 4.68 -7.052666200e-01 -7.052666200e-01 4.70 -6.904987431e-01 -6.904987431e-01 4.72 -6.760447190e-01 -6.760447190e-01 4.74 -6.619592209e-01 -6.619592209e-01 4.76 -6.481909647e-01 -6.481909647e-01 4.78 -6.347285805e-01 -6.347285805e-01 4.80 -6.215616568e-01 -6.215616568e-01 4.82 -6.086806027e-01 -6.086806027e-01 4.84 -5.960765359e-01 -5.960765359e-01 4.86 -5.837411864e-01 -5.837411864e-01 4.88 -5.716668088e-01 -5.716668088e-01 4.90 -5.598461064e-01 -5.598461064e-01 4.92 -5.482721673e-01 -5.482721673e-01 4.94 -5.369384053e-01 -5.369384053e-01 4.96 -5.258385056e-01 -5.258385056e-01 4.98 -5.149663784e-01 -5.149663784e-01 5.00 -5.043161142e-01 -5.043161142e-01 5.02 -4.938819416e-01 -4.938819416e-01 5.04 -4.836581862e-01 -4.836581862e-01 5.06 -4.736392329e-01 -4.736392329e-01 5.08 -4.638194853e-01 -4.638194853e-01 5.10 -4.541933262e-01 -4.541933262e-01 5.12 -4.447550758e-01 -4.447550758e-01 5.14 -4.354989508e-01 -4.354989508e-01 5.16 -4.264190171e-01 -4.264190171e-01 5.18 -4.175091450e-01 -4.175091450e-01 5.20 -4.087629588e-01 -4.087629588e-01 5.22 -4.001737874e-01 -4.001737874e-01 5.24 -3.917346106e-01 -3.917346106e-01 5.26 -3.834380112e-01 -3.834380112e-01 5.28 -3.752761233e-01 -3.752761233e-01 5.30 -3.672405937e-01 -3.672405937e-01 5.32 -3.593225476e-01 -3.593225476e-01 5.34 -3.515125776e-01 -3.515125776e-01 5.36 -3.438007512e-01 -3.438007512e-01 5.38 -3.361766612e-01 -3.361766612e-01 5.40 -3.286295167e-01 -3.286295167e-01 5.42 -3.211482947e-01 -3.211482947e-01 5.44 -3.137219743e-01 -3.137219743e-01 5.46 -3.063398549e-01 -3.063398549e-01 5.48 -2.989919842e-01 -2.989919842e-01 5.50 -2.916696740e-01 -2.916696740e-01 5.52 -2.843661397e-01 -2.843661397e-01 5.54 -2.770771761e-01 -2.770771761e-01 5.56 -2.698019058e-01 -2.698019058e-01 5.58 -2.625434302e-01 -2.625434302e-01 5.60 -2.553094080e-01 -2.553094080e-01 5.62 -2.481123303e-01 -2.481123303e-01 5.64 -2.409695188e-01 -2.409695188e-01 5.66 -2.339021563e-01 -2.339021563e-01 5.68 -2.269337948e-01 -2.269337948e-01 5.70 -2.200922701e-01 -2.200922701e-01 5.72 -2.134061537e-01 -2.134061537e-01 5.74 -2.069027564e-01 -2.069027564e-01 5.76 -2.006063734e-01 -2.006063734e-01 5.78 -1.945368777e-01 -1.945368777e-01 5.80 -1.887086781e-01 -1.887086781e-01 5.82 -1.831302717e-01 -1.831302717e-01 5.84 -1.778042313e-01 -1.778042313e-01 5.86 -1.727276899e-01 -1.727276899e-01 5.88 -1.678930732e-01 -1.678930732e-01 5.90 -1.632890500e-01 -1.632890500e-01 5.92 -1.589015004e-01 -1.589015004e-01 5.94 -1.547144421e-01 -1.547144421e-01 5.96 -1.507108341e-01 -1.507108341e-01 5.98 -1.468732213e-01 -1.468732213e-01 6.00 -1.431842244e-01 -1.431842244e-01