# 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 = HfNb2Ti # 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 3.394780783e+02 3.394780783e+02 1.28 3.162597057e+02 3.162597057e+02 1.30 2.946742421e+02 2.946742421e+02 1.32 2.745822617e+02 2.745822617e+02 1.34 2.558621386e+02 2.558621386e+02 1.36 2.384096304e+02 2.384096304e+02 1.38 2.221329501e+02 2.221329501e+02 1.40 2.069481009e+02 2.069481009e+02 1.42 1.927760855e+02 1.927760855e+02 1.44 1.795423160e+02 1.795423160e+02 1.46 1.671792966e+02 1.671792966e+02 1.48 1.556272932e+02 1.556272932e+02 1.50 1.448324341e+02 1.448324341e+02 1.52 1.347428687e+02 1.347428687e+02 1.54 1.253080403e+02 1.253080402e+02 1.56 1.164801129e+02 1.164801129e+02 1.58 1.082150746e+02 1.082150746e+02 1.60 1.004724922e+02 1.004724922e+02 1.62 9.321662834e+01 9.321662834e+01 1.64 8.641622177e+01 8.641622177e+01 1.66 8.004381832e+01 8.004381832e+01 1.68 7.407451783e+01 7.407451783e+01 1.70 6.849685202e+01 6.849685202e+01 1.72 6.329284326e+01 6.329284326e+01 1.74 5.843869297e+01 5.843869297e+01 1.76 5.391093531e+01 5.391093531e+01 1.78 4.968649657e+01 4.968649657e+01 1.80 4.574441294e+01 4.574441294e+01 1.82 4.206555658e+01 4.206555658e+01 1.84 3.863276804e+01 3.863276804e+01 1.86 3.543043665e+01 3.543043665e+01 1.88 3.244418924e+01 3.244418924e+01 1.90 2.966087654e+01 2.966087654e+01 1.92 2.706819165e+01 2.706819165e+01 1.94 2.465451097e+01 2.465451097e+01 1.96 2.240856047e+01 2.240856047e+01 1.98 2.031919628e+01 2.031919628e+01 2.00 1.837524252e+01 1.837524252e+01 2.02 1.656561915e+01 1.656561915e+01 2.04 1.487953883e+01 1.487953883e+01 2.06 1.330705070e+01 1.330705070e+01 2.08 1.183920678e+01 1.183920678e+01 2.10 1.046820520e+01 1.046820520e+01 2.12 9.187313953e+00 9.187313953e+00 2.14 7.990563925e+00 7.990563925e+00 2.16 6.872697031e+00 6.872697031e+00 2.18 5.828969131e+00 5.828969131e+00 2.20 4.855164410e+00 4.855164410e+00 2.22 3.947537409e+00 3.947537409e+00 2.24 3.102722540e+00 3.102722540e+00 2.26 2.317482714e+00 2.317482714e+00 2.28 1.588701051e+00 1.588701051e+00 2.30 9.132171466e-01 9.132171466e-01 2.32 2.877027758e-01 2.877027758e-01 2.34 -2.913246696e-01 -2.913246696e-01 2.36 -8.274013680e-01 -8.274013680e-01 2.38 -1.324016290e+00 -1.324016290e+00 2.40 -1.784362277e+00 -1.784362277e+00 2.42 -2.211298427e+00 -2.211298427e+00 2.44 -2.607307156e+00 -2.607307156e+00 2.46 -2.974525345e+00 -2.974525345e+00 2.48 -3.314803563e+00 -3.314803563e+00 2.50 -3.629787836e+00 -3.629787836e+00 2.52 -3.921014255e+00 -3.921014255e+00 2.54 -4.189987403e+00 -4.189987403e+00 2.56 -4.438211301e+00 -4.438211301e+00 2.58 -4.667146559e+00 -4.667146559e+00 2.60 -4.878252921e+00 -4.878252921e+00 2.62 -5.072768735e+00 -5.072768735e+00 2.64 -5.251759895e+00 -5.251759895e+00 2.66 -5.416052144e+00 -5.416052144e+00 2.68 -5.566252696e+00 -5.566252696e+00 2.70 -5.702838234e+00 -5.702838234e+00 2.72 -5.826268977e+00 -5.826268977e+00 2.74 -5.937091255e+00 -5.937091255e+00 2.76 -6.036028711e+00 -6.036028711e+00 2.78 -6.123576205e+00 -6.123576205e+00 2.80 -6.199413123e+00 -6.199413123e+00 2.82 -6.263966340e+00 -6.263966340e+00 2.84 -6.317618183e+00 -6.317618183e+00 2.86 -6.361202264e+00 -6.361202264e+00 2.88 -6.395513110e+00 -6.395513110e+00 2.90 -6.421190337e+00 -6.421190337e+00 2.92 -6.438779646e+00 -6.438779646e+00 2.94 -6.448743381e+00 -6.448743381e+00 2.96 -6.451445972e+00 -6.451445972e+00 2.98 -6.447250132e+00 -6.447250132e+00 3.00 -6.436566210e+00 -6.436566210e+00 3.02 -6.419554217e+00 -6.419554217e+00 3.04 -6.396370347e+00 -6.396370347e+00 3.06 -6.366983134e+00 -6.366983134e+00 3.08 -6.331456919e+00 -6.331456919e+00 3.10 -6.289721166e+00 -6.289721166e+00 3.12 -6.241771434e+00 -6.241771434e+00 3.14 -6.187645101e+00 -6.187645101e+00 3.16 -6.127454401e+00 -6.127454401e+00 3.18 -6.061409830e+00 -6.061409830e+00 3.20 -5.989821331e+00 -5.989821331e+00 3.22 -5.913074147e+00 -5.913074147e+00 3.24 -5.831591954e+00 -5.831591954e+00 3.26 -5.745804417e+00 -5.745804417e+00 3.28 -5.656132542e+00 -5.656132542e+00 3.30 -5.562992121e+00 -5.562992121e+00 3.32 -5.466808671e+00 -5.466808671e+00 3.34 -5.368023437e+00 -5.368023437e+00 3.36 -5.267154486e+00 -5.267154486e+00 3.38 -5.164727002e+00 -5.164727002e+00 3.40 -5.061320542e+00 -5.061320542e+00 3.42 -4.957533212e+00 -4.957533212e+00 3.44 -4.853943560e+00 -4.853943560e+00 3.46 -4.751063605e+00 -4.751063605e+00 3.48 -4.649291845e+00 -4.649291845e+00 3.50 -4.548880808e+00 -4.548880808e+00 3.52 -4.449925699e+00 -4.449925699e+00 3.54 -4.352376179e+00 -4.352376179e+00 3.56 -4.256064987e+00 -4.256064987e+00 3.58 -4.160745167e+00 -4.160745167e+00 3.60 -4.066128665e+00 -4.066128665e+00 3.62 -3.971921257e+00 -3.971921257e+00 3.64 -3.877852502e+00 -3.877852502e+00 3.66 -3.783699779e+00 -3.783699779e+00 3.68 -3.689306653e+00 -3.689306653e+00 3.70 -3.594594682e+00 -3.594594682e+00 3.72 -3.499568028e+00 -3.499568028e+00 3.74 -3.404309812e+00 -3.404309812e+00 3.76 -3.308971871e+00 -3.308971871e+00 3.78 -3.213760837e+00 -3.213760837e+00 3.80 -3.118923992e+00 -3.118923992e+00 3.82 -3.024736909e+00 -3.024736909e+00 3.84 -2.931494036e+00 -2.931494036e+00 3.86 -2.839480625e+00 -2.839480625e+00 3.88 -2.749048604e+00 -2.749048604e+00 3.90 -2.660477046e+00 -2.660477046e+00 3.92 -2.574058156e+00 -2.574058156e+00 3.94 -2.490066453e+00 -2.490066453e+00 3.96 -2.408753824e+00 -2.408753824e+00 3.98 -2.330344685e+00 -2.330344685e+00 4.00 -2.255030811e+00 -2.255030811e+00 4.02 -2.182972784e+00 -2.182972784e+00 4.04 -2.114182665e+00 -2.114182665e+00 4.06 -2.048897323e+00 -2.048897323e+00 4.08 -1.987016475e+00 -1.987016475e+00 4.10 -1.928480974e+00 -1.928480974e+00 4.12 -1.873178676e+00 -1.873178676e+00 4.14 -1.820953226e+00 -1.820953226e+00 4.16 -1.771615628e+00 -1.771615628e+00 4.18 -1.724956696e+00 -1.724956696e+00 4.20 -1.680758703e+00 -1.680758703e+00 4.22 -1.638805081e+00 -1.638805081e+00 4.24 -1.598887771e+00 -1.598887771e+00 4.26 -1.560812200e+00 -1.560812200e+00 4.28 -1.524400073e+00 -1.524400073e+00 4.30 -1.489490601e+00 -1.489490601e+00 4.32 -1.455940628e+00 -1.455940628e+00 4.34 -1.423623896e+00 -1.423623896e+00 4.36 -1.392429819e+00 -1.392429819e+00 4.38 -1.362262069e+00 -1.362262069e+00 4.40 -1.333037025e+00 -1.333037025e+00 4.42 -1.304682151e+00 -1.304682151e+00 4.44 -1.277134498e+00 -1.277134498e+00 4.46 -1.250339356e+00 -1.250339356e+00 4.48 -1.224249007e+00 -1.224249007e+00 4.50 -1.198821659e+00 -1.198821659e+00 4.52 -1.174020582e+00 -1.174020582e+00 4.54 -1.149813342e+00 -1.149813342e+00 4.56 -1.126171155e+00 -1.126171155e+00 4.58 -1.103068356e+00 -1.103068356e+00 4.60 -1.080481943e+00 -1.080481943e+00 4.62 -1.058391168e+00 -1.058391168e+00 4.64 -1.036777194e+00 -1.036777194e+00 4.66 -1.015622802e+00 -1.015622802e+00 4.68 -9.949121208e-01 -9.949121208e-01 4.70 -9.746304122e-01 -9.746304122e-01 4.72 -9.547167316e-01 -9.547167316e-01 4.74 -9.352604543e-01 -9.352604543e-01 4.76 -9.161920503e-01 -9.161920503e-01 4.78 -8.974996263e-01 -8.974996263e-01 4.80 -8.791714844e-01 -8.791714844e-01 4.82 -8.611959933e-01 -8.611959933e-01 4.84 -8.435614626e-01 -8.435614626e-01 4.86 -8.262560286e-01 -8.262560286e-01 4.88 -8.092675329e-01 -8.092675329e-01 4.90 -7.925834189e-01 -7.925834189e-01 4.92 -7.761906308e-01 -7.761906308e-01 4.94 -7.600755398e-01 -7.600755398e-01 4.96 -7.442238875e-01 -7.442238875e-01 4.98 -7.286207813e-01 -7.286207813e-01 5.00 -7.132507368e-01 -7.132507368e-01 5.02 -6.980978120e-01 -6.980978120e-01 5.04 -6.831458426e-01 -6.831458426e-01 5.06 -6.683788073e-01 -6.683788073e-01 5.08 -6.537813552e-01 -6.537813552e-01 5.10 -6.393394801e-01 -6.393394801e-01 5.12 -6.250413851e-01 -6.250413851e-01 5.14 -6.108784223e-01 -6.108784223e-01 5.16 -5.968461302e-01 -5.968461302e-01 5.18 -5.829451165e-01 -5.829451165e-01 5.20 -5.691817700e-01 -5.691817700e-01 5.22 -5.555684534e-01 -5.555684534e-01 5.24 -5.421221938e-01 -5.421221938e-01 5.26 -5.288647018e-01 -5.288647018e-01 5.28 -5.158220512e-01 -5.158220512e-01 5.30 -5.030209026e-01 -5.030209026e-01 5.32 -4.904859306e-01 -4.904859306e-01 5.34 -4.782374722e-01 -4.782374722e-01 5.36 -4.662895937e-01 -4.662895937e-01 5.38 -4.546490226e-01 -4.546490226e-01 5.40 -4.433148384e-01 -4.433148384e-01 5.42 -4.322790670e-01 -4.322790670e-01 5.44 -4.215278282e-01 -4.215278282e-01 5.46 -4.110429409e-01 -4.110429409e-01 5.48 -4.008036798e-01 -4.008036798e-01 5.50 -3.907885098e-01 -3.907885098e-01 5.52 -3.809766796e-01 -3.809766796e-01 5.54 -3.713495240e-01 -3.713495240e-01 5.56 -3.618915079e-01 -3.618915079e-01 5.58 -3.525908651e-01 -3.525908651e-01 5.60 -3.434399321e-01 -3.434399321e-01 5.62 -3.344350536e-01 -3.344350536e-01 5.64 -3.255761730e-01 -3.255761730e-01 5.66 -3.168658239e-01 -3.168658239e-01 5.68 -3.083074410e-01 -3.083074410e-01 5.70 -2.999064977e-01 -2.999064977e-01 5.72 -2.916680252e-01 -2.916680252e-01 5.74 -2.835951950e-01 -2.835951950e-01 5.76 -2.756883371e-01 -2.756883371e-01 5.78 -2.679443146e-01 -2.679443146e-01 5.80 -2.603562307e-01 -2.603562307e-01 5.82 -2.529135716e-01 -2.529135716e-01 5.84 -2.456026677e-01 -2.456026677e-01 5.86 -2.384074969e-01 -2.384074969e-01 5.88 -2.313106883e-01 -2.313106883e-01 5.90 -2.242946994e-01 -2.242946994e-01 5.92 -2.173430740e-01 -2.173430740e-01 5.94 -2.104416925e-01 -2.104416925e-01 5.96 -2.035799259e-01 -2.035799259e-01 5.98 -1.967516277e-01 -1.967516277e-01 6.00 -1.899558774e-01 -1.899558774e-01