# 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 = Hf2NbZr # 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 3.498033009e+02 3.498033009e+02 1.28 3.260963186e+02 3.260963186e+02 1.30 3.040750139e+02 3.040750139e+02 1.32 2.836073141e+02 2.836073141e+02 1.34 2.645628472e+02 2.645628472e+02 1.36 2.468238732e+02 2.468238732e+02 1.38 2.302864133e+02 2.302864133e+02 1.40 2.148586760e+02 2.148586760e+02 1.42 2.004608639e+02 2.004608639e+02 1.44 1.870253799e+02 1.870253799e+02 1.46 1.744928946e+02 1.744928946e+02 1.48 1.628047290e+02 1.628047290e+02 1.50 1.518964671e+02 1.518964671e+02 1.52 1.417009465e+02 1.417009465e+02 1.54 1.321578634e+02 1.321578635e+02 1.56 1.232179555e+02 1.232179555e+02 1.58 1.148396756e+02 1.148396756e+02 1.60 1.069829869e+02 1.069829869e+02 1.62 9.960995962e+01 9.960995962e+01 1.64 9.268681656e+01 9.268681656e+01 1.66 8.618610433e+01 8.618610433e+01 1.68 8.008618457e+01 8.008618457e+01 1.70 7.437210302e+01 7.437210302e+01 1.72 6.903279910e+01 6.903279910e+01 1.74 6.404882337e+01 6.404882337e+01 1.76 5.939720488e+01 5.939720488e+01 1.78 5.505399564e+01 5.505399564e+01 1.80 5.099615725e+01 5.099615725e+01 1.82 4.720213477e+01 4.720213477e+01 1.84 4.365354863e+01 4.365354863e+01 1.86 4.033487273e+01 4.033487273e+01 1.88 3.723255205e+01 3.723255205e+01 1.90 3.433349774e+01 3.433349774e+01 1.92 3.162413066e+01 3.162413066e+01 1.94 2.909012069e+01 2.909012069e+01 1.96 2.671748446e+01 2.671748446e+01 1.98 2.449379747e+01 2.449379747e+01 2.00 2.240829761e+01 2.240829761e+01 2.02 2.045147973e+01 2.045147973e+01 2.04 1.861457004e+01 1.861457004e+01 2.06 1.688963929e+01 1.688963929e+01 2.08 1.526975225e+01 1.526975225e+01 2.10 1.374878368e+01 1.374878368e+01 2.12 1.232135353e+01 1.232135353e+01 2.14 1.098237888e+01 1.098237888e+01 2.16 9.727286645e+00 9.727286645e+00 2.18 8.551564066e+00 8.551564066e+00 2.20 7.450736553e+00 7.450736553e+00 2.22 6.420418418e+00 6.420418418e+00 2.24 5.456650191e+00 5.456650191e+00 2.26 4.556035641e+00 4.556035641e+00 2.28 3.715642648e+00 3.715642648e+00 2.30 2.932861118e+00 2.932861118e+00 2.32 2.204416094e+00 2.204416094e+00 2.34 1.526359900e+00 1.526359900e+00 2.36 8.945092722e-01 8.945092722e-01 2.38 3.048837358e-01 3.048837358e-01 2.40 -2.456962987e-01 -2.456962987e-01 2.42 -7.597514529e-01 -7.597514529e-01 2.44 -1.239262521e+00 -1.239262521e+00 2.46 -1.685891483e+00 -1.685891483e+00 2.48 -2.101182630e+00 -2.101182630e+00 2.50 -2.486731112e+00 -2.486731112e+00 2.52 -2.844312669e+00 -2.844312669e+00 2.54 -3.175950250e+00 -3.175950250e+00 2.56 -3.483886523e+00 -3.483886523e+00 2.58 -3.770393683e+00 -3.770393683e+00 2.60 -4.037863497e+00 -4.037863497e+00 2.62 -4.288139275e+00 -4.288139275e+00 2.64 -4.522662682e+00 -4.522662682e+00 2.66 -4.742289003e+00 -4.742289003e+00 2.68 -4.947361029e+00 -4.947361029e+00 2.70 -5.137946187e+00 -5.137946187e+00 2.72 -5.314124259e+00 -5.314124259e+00 2.74 -5.476102041e+00 -5.476102041e+00 2.76 -5.624512779e+00 -5.624512779e+00 2.78 -5.759957959e+00 -5.759957959e+00 2.80 -5.883215046e+00 -5.883215046e+00 2.82 -5.995106447e+00 -5.995106447e+00 2.84 -6.096092923e+00 -6.096092923e+00 2.86 -6.185767620e+00 -6.185767620e+00 2.88 -6.263836804e+00 -6.263836804e+00 2.90 -6.331371836e+00 -6.331371836e+00 2.92 -6.389328348e+00 -6.389328348e+00 2.94 -6.438533844e+00 -6.438533844e+00 2.96 -6.479698730e+00 -6.479698730e+00 2.98 -6.513330962e+00 -6.513330962e+00 3.00 -6.539752543e+00 -6.539752543e+00 3.02 -6.559477047e+00 -6.559477047e+00 3.04 -6.572728787e+00 -6.572728787e+00 3.06 -6.579564918e+00 -6.579564918e+00 3.08 -6.580561489e+00 -6.580561489e+00 3.10 -6.576035878e+00 -6.576035878e+00 3.12 -6.565920704e+00 -6.565920704e+00 3.14 -6.550117532e+00 -6.550117532e+00 3.16 -6.528530076e+00 -6.528530076e+00 3.18 -6.501072661e+00 -6.501072661e+00 3.20 -6.467680937e+00 -6.467680937e+00 3.22 -6.428326399e+00 -6.428326399e+00 3.24 -6.383032016e+00 -6.383032016e+00 3.26 -6.331884766e+00 -6.331884766e+00 3.28 -6.275041571e+00 -6.275041571e+00 3.30 -6.212727780e+00 -6.212727780e+00 3.32 -6.145233059e+00 -6.145233059e+00 3.34 -6.072886465e+00 -6.072886465e+00 3.36 -5.996180461e+00 -5.996180461e+00 3.38 -5.915618647e+00 -5.915618647e+00 3.40 -5.831862869e+00 -5.831862869e+00 3.42 -5.745699515e+00 -5.745699515e+00 3.44 -5.658002809e+00 -5.658002809e+00 3.46 -5.569661468e+00 -5.569661468e+00 3.48 -5.481485466e+00 -5.481485466e+00 3.50 -5.394121965e+00 -5.394121965e+00 3.52 -5.308004526e+00 -5.308004526e+00 3.54 -5.223346025e+00 -5.223346025e+00 3.56 -5.140168802e+00 -5.140168802e+00 3.58 -5.058355519e+00 -5.058355519e+00 3.60 -4.977704144e+00 -4.977704144e+00 3.62 -4.897974747e+00 -4.897974747e+00 3.64 -4.818922866e+00 -4.818922866e+00 3.66 -4.740318843e+00 -4.740318843e+00 3.68 -4.661955238e+00 -4.661955238e+00 3.70 -4.583646460e+00 -4.583646460e+00 3.72 -4.505224290e+00 -4.505224290e+00 3.74 -4.426534343e+00 -4.426534343e+00 3.76 -4.347436602e+00 -4.347436602e+00 3.78 -4.267812620e+00 -4.267812620e+00 3.80 -4.187577605e+00 -4.187577605e+00 3.82 -4.106692912e+00 -4.106692912e+00 3.84 -4.025174866e+00 -4.025174866e+00 3.86 -3.943042268e+00 -3.943042268e+00 3.88 -3.860538123e+00 -3.860538123e+00 3.90 -3.777766035e+00 -3.777766035e+00 3.92 -3.694938463e+00 -3.694938463e+00 3.94 -3.612308299e+00 -3.612308299e+00 3.96 -3.530170124e+00 -3.530170124e+00 3.98 -3.448859823e+00 -3.448859823e+00 4.00 -3.368748133e+00 -3.368748133e+00 4.02 -3.290242076e+00 -3.290242076e+00 4.04 -3.213514593e+00 -3.213514593e+00 4.06 -3.139319789e+00 -3.139319789e+00 4.08 -3.067723814e+00 -3.067723814e+00 4.10 -2.998923651e+00 -2.998923651e+00 4.12 -2.933018200e+00 -2.933018200e+00 4.14 -2.870011269e+00 -2.870011269e+00 4.16 -2.809824991e+00 -2.809824991e+00 4.18 -2.752319159e+00 -2.752319159e+00 4.20 -2.697311866e+00 -2.697311866e+00 4.22 -2.644597868e+00 -2.644597868e+00 4.24 -2.593962751e+00 -2.593962751e+00 4.26 -2.545192491e+00 -2.545192491e+00 4.28 -2.498079121e+00 -2.498079121e+00 4.30 -2.452423802e+00 -2.452423802e+00 4.32 -2.408038855e+00 -2.408038855e+00 4.34 -2.364750041e+00 -2.364750041e+00 4.36 -2.322399762e+00 -2.322399762e+00 4.38 -2.280851057e+00 -2.280851057e+00 4.40 -2.239991346e+00 -2.239991346e+00 4.42 -2.199734688e+00 -2.199734688e+00 4.44 -2.160021742e+00 -2.160021742e+00 4.46 -2.120817251e+00 -2.120817251e+00 4.48 -2.082105475e+00 -2.082105475e+00 4.50 -2.043884809e+00 -2.043884809e+00 4.52 -2.006162598e+00 -2.006162598e+00 4.54 -1.968950754e+00 -1.968950754e+00 4.56 -1.932262500e+00 -1.932262500e+00 4.58 -1.896110250e+00 -1.896110250e+00 4.60 -1.860504425e+00 -1.860504425e+00 4.62 -1.825452924e+00 -1.825452924e+00 4.64 -1.790961042e+00 -1.790961042e+00 4.66 -1.757031618e+00 -1.757031618e+00 4.68 -1.723665324e+00 -1.723665324e+00 4.70 -1.690861052e+00 -1.690861052e+00 4.72 -1.658502928e+00 -1.658502928e+00 4.74 -1.626833468e+00 -1.626833468e+00 4.76 -1.595710707e+00 -1.595710707e+00 4.78 -1.565129631e+00 -1.565129631e+00 4.80 -1.535084459e+00 -1.535084459e+00 4.82 -1.505568805e+00 -1.505568805e+00 4.84 -1.476575796e+00 -1.476575796e+00 4.86 -1.448098163e+00 -1.448098163e+00 4.88 -1.420128306e+00 -1.420128306e+00 4.90 -1.392658342e+00 -1.392658342e+00 4.92 -1.365680135e+00 -1.365680135e+00 4.94 -1.339185307e+00 -1.339185307e+00 4.96 -1.313165244e+00 -1.313165244e+00 4.98 -1.287611081e+00 -1.287611081e+00 5.00 -1.262513689e+00 -1.262513689e+00 5.02 -1.237863639e+00 -1.237863639e+00 5.04 -1.213651161e+00 -1.213651161e+00 5.06 -1.189866104e+00 -1.189866104e+00 5.08 -1.166497865e+00 -1.166497865e+00 5.10 -1.143535333e+00 -1.143535333e+00 5.12 -1.120966799e+00 -1.120966799e+00 5.14 -1.098779881e+00 -1.098779881e+00 5.16 -1.076961420e+00 -1.076961420e+00 5.18 -1.055497384e+00 -1.055497384e+00 5.20 -1.034372752e+00 -1.034372752e+00 5.22 -1.013571414e+00 -1.013571414e+00 5.24 -9.930760555e-01 -9.930760555e-01 5.26 -9.728680651e-01 -9.728680651e-01 5.28 -9.529274479e-01 -9.529274479e-01 5.30 -9.332327841e-01 -9.332327841e-01 5.32 -9.137612176e-01 -9.137612176e-01 5.34 -8.944885272e-01 -8.944885272e-01 5.36 -8.753892747e-01 -8.753892747e-01 5.38 -8.564370829e-01 -8.564370829e-01 5.40 -8.376050607e-01 -8.376050607e-01 5.42 -8.188664076e-01 -8.188664076e-01 5.44 -8.001952464e-01 -8.001952464e-01 5.46 -7.815676613e-01 -7.815676613e-01 5.48 -7.629630207e-01 -7.629630207e-01 5.50 -7.443654475e-01 -7.443654475e-01 5.52 -7.257655368e-01 -7.257655368e-01 5.54 -7.071620132e-01 -7.071620132e-01 5.56 -6.885634177e-01 -6.885634177e-01 5.58 -6.699893443e-01 -6.699893443e-01 5.60 -6.514713040e-01 -6.514713040e-01 5.62 -6.330526781e-01 -6.330526781e-01 5.64 -6.147878762e-01 -6.147878762e-01 5.66 -5.967403637e-01 -5.967403637e-01 5.68 -5.789797825e-01 -5.789797825e-01 5.70 -5.615782871e-01 -5.615782871e-01 5.72 -5.446064059e-01 -5.446064059e-01 5.74 -5.281290014e-01 -5.281290014e-01 5.76 -5.122015373e-01 -5.122015373e-01 5.78 -4.968673502e-01 -4.968673502e-01 5.80 -4.821558078e-01 -4.821558078e-01 5.82 -4.680818155e-01 -4.680818155e-01 5.84 -4.546462208e-01 -4.546462208e-01 5.86 -4.418372264e-01 -4.418372264e-01 5.88 -4.296322720e-01 -4.296322720e-01 5.90 -4.180002923e-01 -4.180002923e-01 5.92 -4.069039529e-01 -4.069039529e-01 5.94 -3.963017510e-01 -3.963017510e-01 5.96 -3.861498270e-01 -3.861498270e-01 5.98 -3.764033960e-01 -3.764033960e-01 6.00 -3.670178546e-01 -3.670178546e-01