# 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 = NbTiZr2 # 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 2.830025120e+02 2.830025120e+02 1.28 2.637172371e+02 2.637172371e+02 1.30 2.457913263e+02 2.457913263e+02 1.32 2.291208652e+02 2.291208652e+02 1.34 2.136103720e+02 2.136103720e+02 1.36 1.991718408e+02 1.991718408e+02 1.38 1.857221154e+02 1.857221154e+02 1.40 1.731812371e+02 1.731812371e+02 1.42 1.614767564e+02 1.614767564e+02 1.44 1.505484942e+02 1.505484942e+02 1.46 1.403461378e+02 1.403461378e+02 1.48 1.308222833e+02 1.308222833e+02 1.50 1.219277209e+02 1.219277209e+02 1.52 1.136117876e+02 1.136117876e+02 1.54 1.058263519e+02 1.058263520e+02 1.56 9.852866306e+01 9.852866306e+01 1.58 9.168279454e+01 9.168279454e+01 1.60 8.525798669e+01 8.525798669e+01 1.62 7.922778094e+01 7.922778094e+01 1.64 7.356937683e+01 7.356937683e+01 1.66 6.826370543e+01 6.826370543e+01 1.68 6.329412214e+01 6.329412214e+01 1.70 5.864986003e+01 5.864986003e+01 1.72 5.431416790e+01 5.431416790e+01 1.74 5.026766235e+01 5.026766235e+01 1.76 4.649045195e+01 4.649045195e+01 1.78 4.296377638e+01 4.296377638e+01 1.80 3.966945566e+01 3.966945566e+01 1.82 3.659020522e+01 3.659020522e+01 1.84 3.371110357e+01 3.371110357e+01 1.86 3.101966284e+01 3.101966284e+01 1.88 2.850476421e+01 2.850476421e+01 1.90 2.615535102e+01 2.615535102e+01 1.92 2.395986570e+01 2.395986570e+01 1.94 2.190668998e+01 2.190668998e+01 1.96 1.998507088e+01 1.998507088e+01 1.98 1.818563506e+01 1.818563506e+01 2.00 1.650003054e+01 1.650003054e+01 2.02 1.492036386e+01 1.492036386e+01 2.04 1.343886876e+01 1.343886876e+01 2.06 1.204842557e+01 1.204842557e+01 2.08 1.074308413e+01 1.074308413e+01 2.10 9.518196954e+00 9.518196954e+00 2.12 8.370123067e+00 8.370123067e+00 2.14 7.295501291e+00 7.295501291e+00 2.16 6.290947565e+00 6.290947565e+00 2.18 5.352691309e+00 5.352691309e+00 2.20 4.476740542e+00 4.476740542e+00 2.22 3.659196311e+00 3.659196311e+00 2.24 2.896590478e+00 2.896590478e+00 2.26 2.185866233e+00 2.185866233e+00 2.28 1.524271334e+00 1.524271334e+00 2.30 9.091932852e-01 9.091932852e-01 2.32 3.377405752e-01 3.377405752e-01 2.34 -1.932348018e-01 -1.932348018e-01 2.36 -6.869534359e-01 -6.869534359e-01 2.38 -1.146533184e+00 -1.146533184e+00 2.40 -1.574684477e+00 -1.574684477e+00 2.42 -1.973749752e+00 -1.973749752e+00 2.44 -2.345695942e+00 -2.345695942e+00 2.46 -2.692145586e+00 -2.692145586e+00 2.48 -3.014425655e+00 -3.014425655e+00 2.50 -3.313671531e+00 -3.313671531e+00 2.52 -3.590979633e+00 -3.590979633e+00 2.54 -3.847546176e+00 -3.847546176e+00 2.56 -4.084722653e+00 -4.084722653e+00 2.58 -4.303938150e+00 -4.303938150e+00 2.60 -4.506742590e+00 -4.506742590e+00 2.62 -4.694477226e+00 -4.694477226e+00 2.64 -4.868375294e+00 -4.868375294e+00 2.66 -5.029465496e+00 -5.029465496e+00 2.68 -5.178549600e+00 -5.178549600e+00 2.70 -5.316221903e+00 -5.316221903e+00 2.72 -5.442931058e+00 -5.442931058e+00 2.74 -5.559018293e+00 -5.559018293e+00 2.76 -5.664917084e+00 -5.664917084e+00 2.78 -5.760985862e+00 -5.760985862e+00 2.80 -5.847673143e+00 -5.847673143e+00 2.82 -5.925343574e+00 -5.925343574e+00 2.84 -5.993135962e+00 -5.993135962e+00 2.86 -6.051145227e+00 -6.051145227e+00 2.88 -6.100141604e+00 -6.100141604e+00 2.90 -6.140843089e+00 -6.140843089e+00 2.92 -6.173887785e+00 -6.173887785e+00 2.94 -6.199859304e+00 -6.199859304e+00 2.96 -6.219258530e+00 -6.219258530e+00 2.98 -6.232508383e+00 -6.232508383e+00 3.00 -6.239937546e+00 -6.239937546e+00 3.02 -6.241961008e+00 -6.241961008e+00 3.04 -6.238687026e+00 -6.238687026e+00 3.06 -6.230156181e+00 -6.230156181e+00 3.08 -6.216519952e+00 -6.216519952e+00 3.10 -6.197682484e+00 -6.197682484e+00 3.12 -6.173627922e+00 -6.173627922e+00 3.14 -6.144372343e+00 -6.144372343e+00 3.16 -6.109981962e+00 -6.109981962e+00 3.18 -6.070585132e+00 -6.070585132e+00 3.20 -6.026368888e+00 -6.026368888e+00 3.22 -5.977559440e+00 -5.977559440e+00 3.24 -5.924396341e+00 -5.924396341e+00 3.26 -5.867112950e+00 -5.867112950e+00 3.28 -5.805929876e+00 -5.805929876e+00 3.30 -5.741059125e+00 -5.741059125e+00 3.32 -5.672713549e+00 -5.672713549e+00 3.34 -5.601105437e+00 -5.601105437e+00 3.36 -5.526522063e+00 -5.526522063e+00 3.38 -5.449257377e+00 -5.449257377e+00 3.40 -5.369703685e+00 -5.369703685e+00 3.42 -5.288347351e+00 -5.288347351e+00 3.44 -5.205756033e+00 -5.205756033e+00 3.46 -5.122533998e+00 -5.122533998e+00 3.48 -5.039253482e+00 -5.039253482e+00 3.50 -4.956383942e+00 -4.956383942e+00 3.52 -4.874241337e+00 -4.874241337e+00 3.54 -4.792971159e+00 -4.792971159e+00 3.56 -4.712563902e+00 -4.712563902e+00 3.58 -4.632891903e+00 -4.632891903e+00 3.60 -4.553754127e+00 -4.553754127e+00 3.62 -4.474918846e+00 -4.474918846e+00 3.64 -4.396159332e+00 -4.396159332e+00 3.66 -4.317281483e+00 -4.317281483e+00 3.68 -4.238143497e+00 -4.238143497e+00 3.70 -4.158667753e+00 -4.158667753e+00 3.72 -4.078844310e+00 -4.078844310e+00 3.74 -3.998725325e+00 -3.998725325e+00 3.76 -3.918411748e+00 -3.918411748e+00 3.78 -3.838035215e+00 -3.838035215e+00 3.80 -3.757739759e+00 -3.757739759e+00 3.82 -3.677667063e+00 -3.677667063e+00 3.84 -3.597947897e+00 -3.597947897e+00 3.86 -3.518671599e+00 -3.518671599e+00 3.88 -3.440005186e+00 -3.440005186e+00 3.90 -3.362013237e+00 -3.362013237e+00 3.92 -3.284797238e+00 -3.284797238e+00 3.94 -3.208469534e+00 -3.208469534e+00 3.96 -3.133162738e+00 -3.133162738e+00 3.98 -3.059036914e+00 -3.059036914e+00 4.00 -2.986281827e+00 -2.986281827e+00 4.02 -2.915120073e+00 -2.915120073e+00 4.04 -2.845674052e+00 -2.845674052e+00 4.06 -2.778350605e+00 -2.778350605e+00 4.08 -2.713223117e+00 -2.713223117e+00 4.10 -2.650414753e+00 -2.650414753e+00 4.12 -2.589981209e+00 -2.589981209e+00 4.14 -2.531909331e+00 -2.531909331e+00 4.16 -2.476125129e+00 -2.476125129e+00 4.18 -2.422507958e+00 -2.422507958e+00 4.20 -2.370906938e+00 -2.370906938e+00 4.22 -2.321156419e+00 -2.321156419e+00 4.24 -2.273088624e+00 -2.273088624e+00 4.26 -2.226542808e+00 -2.226542808e+00 4.28 -2.181371033e+00 -2.181371033e+00 4.30 -2.137441270e+00 -2.137441270e+00 4.32 -2.094638562e+00 -2.094638562e+00 4.34 -2.052864789e+00 -2.052864789e+00 4.36 -2.012037599e+00 -2.012037599e+00 4.38 -1.972088883e+00 -1.972088883e+00 4.40 -1.932963008e+00 -1.932963008e+00 4.42 -1.894614941e+00 -1.894614941e+00 4.44 -1.857008450e+00 -1.857008450e+00 4.46 -1.820114443e+00 -1.820114443e+00 4.48 -1.783909451e+00 -1.783909451e+00 4.50 -1.748374320e+00 -1.748374320e+00 4.52 -1.713493136e+00 -1.713493136e+00 4.54 -1.679252337e+00 -1.679252337e+00 4.56 -1.645640013e+00 -1.645640013e+00 4.58 -1.612645369e+00 -1.612645369e+00 4.60 -1.580258328e+00 -1.580258328e+00 4.62 -1.548469233e+00 -1.548469233e+00 4.64 -1.517268638e+00 -1.517268638e+00 4.66 -1.486647158e+00 -1.486647158e+00 4.68 -1.456595361e+00 -1.456595361e+00 4.70 -1.427103723e+00 -1.427103723e+00 4.72 -1.398104412e+00 -1.398104412e+00 4.74 -1.369714450e+00 -1.369714450e+00 4.76 -1.341852580e+00 -1.341852580e+00 4.78 -1.314508653e+00 -1.314508653e+00 4.80 -1.287672061e+00 -1.287672061e+00 4.82 -1.261331708e+00 -1.261331708e+00 4.84 -1.235475956e+00 -1.235475956e+00 4.86 -1.210092572e+00 -1.210092572e+00 4.88 -1.185168657e+00 -1.185168657e+00 4.90 -1.160690589e+00 -1.160690589e+00 4.92 -1.136643948e+00 -1.136643948e+00 4.94 -1.113013466e+00 -1.113013466e+00 4.96 -1.089782992e+00 -1.089782992e+00 4.98 -1.066935495e+00 -1.066935495e+00 5.00 -1.044453118e+00 -1.044453118e+00 5.02 -1.022317318e+00 -1.022317318e+00 5.04 -1.000509108e+00 -1.000509108e+00 5.06 -9.790094255e-01 -9.790094255e-01 5.08 -9.577996776e-01 -9.577996776e-01 5.10 -9.368624337e-01 -9.368624337e-01 5.12 -9.161823188e-01 -9.161823188e-01 5.14 -8.957469915e-01 -8.957469915e-01 5.16 -8.755482272e-01 -8.755482272e-01 5.18 -8.555828501e-01 -8.555828501e-01 5.20 -8.358534870e-01 -8.358534870e-01 5.22 -8.163687859e-01 -8.163687859e-01 5.24 -7.971430777e-01 -7.971430777e-01 5.26 -7.781952414e-01 -7.781952414e-01 5.28 -7.595468742e-01 -7.595468742e-01 5.30 -7.412199060e-01 -7.412199060e-01 5.32 -7.232339130e-01 -7.232339130e-01 5.34 -7.056036311e-01 -7.056036311e-01 5.36 -6.883368619e-01 -6.883368619e-01 5.38 -6.714332725e-01 -6.714332725e-01 5.40 -6.548839870e-01 -6.548839870e-01 5.42 -6.386721698e-01 -6.386721698e-01 5.44 -6.227742666e-01 -6.227742666e-01 5.46 -6.071618365e-01 -6.071618365e-01 5.48 -5.918036807e-01 -5.918036807e-01 5.50 -5.766681006e-01 -5.766681006e-01 5.52 -5.617251860e-01 -5.617251860e-01 5.54 -5.469489235e-01 -5.469489235e-01 5.56 -5.323191878e-01 -5.323191878e-01 5.58 -5.178233094e-01 -5.178233094e-01 5.60 -5.034573397e-01 -5.034573397e-01 5.62 -4.892266215e-01 -4.892266215e-01 5.64 -4.751457902e-01 -4.751457902e-01 5.66 -4.612378658e-01 -4.612378658e-01 5.68 -4.475326247e-01 -4.475326247e-01 5.70 -4.340641916e-01 -4.340641916e-01 5.72 -4.208681242e-01 -4.208681242e-01 5.74 -4.079783261e-01 -4.079783261e-01 5.76 -3.954240404e-01 -3.954240404e-01 5.78 -3.832274299e-01 -3.832274299e-01 5.80 -3.714018477e-01 -3.714018477e-01 5.82 -3.599511501e-01 -3.599511501e-01 5.84 -3.488698181e-01 -3.488698181e-01 5.86 -3.381440184e-01 -3.381440184e-01 5.88 -3.277532015e-01 -3.277532015e-01 5.90 -3.176721705e-01 -3.176721705e-01 5.92 -3.078732943e-01 -3.078732943e-01 5.94 -2.983287100e-01 -2.983287100e-01 5.96 -2.890120405e-01 -2.890120405e-01 5.98 -2.798985784e-01 -2.798985784e-01 6.00 -2.709706468e-01 -2.709706468e-01