# 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 = TaTiZr2 # 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 2.827225194e+02 2.827225194e+02 1.28 2.634555527e+02 2.634555527e+02 1.30 2.455525800e+02 2.455525800e+02 1.32 2.289074534e+02 2.289074534e+02 1.34 2.134233381e+02 2.134233381e+02 1.36 1.990116853e+02 1.990116853e+02 1.38 1.855894347e+02 1.855894347e+02 1.40 1.730769545e+02 1.730769545e+02 1.42 1.614021959e+02 1.614021959e+02 1.44 1.505058615e+02 1.505058615e+02 1.46 1.403384297e+02 1.403384297e+02 1.48 1.308521826e+02 1.308521826e+02 1.50 1.219963179e+02 1.219963179e+02 1.52 1.137186657e+02 1.137186657e+02 1.54 1.059707358e+02 1.059707358e+02 1.56 9.871028406e+01 9.871028406e+01 1.58 9.190172706e+01 9.190172706e+01 1.60 8.551373846e+01 8.551373846e+01 1.62 7.951860434e+01 7.951860434e+01 1.64 7.389251391e+01 7.389251391e+01 1.66 6.861619263e+01 6.861619263e+01 1.68 6.367324238e+01 6.367324238e+01 1.70 5.905059314e+01 5.905059314e+01 1.72 5.473141559e+01 5.473141559e+01 1.74 5.069663900e+01 5.069663900e+01 1.76 4.692691066e+01 4.692691066e+01 1.78 4.340375335e+01 4.340375335e+01 1.80 4.010938543e+01 4.010938543e+01 1.82 3.702720858e+01 3.702720858e+01 1.84 3.414311007e+01 3.414311007e+01 1.86 3.144531801e+01 3.144531801e+01 1.88 2.892320746e+01 2.892320746e+01 1.90 2.656590411e+01 2.656590411e+01 1.92 2.436177717e+01 2.436177717e+01 1.94 2.229893291e+01 2.229893291e+01 1.96 2.036633324e+01 2.036633324e+01 1.98 1.855447312e+01 1.855447312e+01 2.00 1.685506255e+01 1.685506255e+01 2.02 1.526039887e+01 1.526039887e+01 2.04 1.376295975e+01 1.376295975e+01 2.06 1.235586700e+01 1.235586700e+01 2.08 1.103341886e+01 1.103341886e+01 2.10 9.791199434e+00 9.791199434e+00 2.12 8.625776588e+00 8.625776588e+00 2.14 7.533959000e+00 7.533959000e+00 2.16 6.512477293e+00 6.512477293e+00 2.18 5.557613765e+00 5.557613765e+00 2.20 4.665379647e+00 4.665379647e+00 2.22 3.831860271e+00 3.831860271e+00 2.24 3.053585224e+00 3.053585224e+00 2.26 2.327524628e+00 2.327524628e+00 2.28 1.650954485e+00 1.650954485e+00 2.30 1.021295132e+00 1.021295132e+00 2.32 4.356553378e-01 4.356553378e-01 2.34 -1.091430210e-01 -1.091430210e-01 2.36 -6.163708693e-01 -6.163708693e-01 2.38 -1.089196954e+00 -1.089196954e+00 2.40 -1.530363012e+00 -1.530363012e+00 2.42 -1.942212249e+00 -1.942212249e+00 2.44 -2.326683787e+00 -2.326683787e+00 2.46 -2.685354309e+00 -2.685354309e+00 2.48 -3.019499147e+00 -3.019499147e+00 2.50 -3.330205823e+00 -3.330205823e+00 2.52 -3.618532606e+00 -3.618532606e+00 2.54 -3.885650091e+00 -3.885650091e+00 2.56 -4.132897246e+00 -4.132897246e+00 2.58 -4.361702132e+00 -4.361702132e+00 2.60 -4.573623992e+00 -4.573623992e+00 2.62 -4.770017483e+00 -4.770017483e+00 2.64 -4.952131997e+00 -4.952131997e+00 2.66 -5.121012468e+00 -5.121012468e+00 2.68 -5.277476637e+00 -5.277476637e+00 2.70 -5.422135125e+00 -5.422135125e+00 2.72 -5.555453708e+00 -5.555453708e+00 2.74 -5.677791255e+00 -5.677791255e+00 2.76 -5.789598468e+00 -5.789598468e+00 2.78 -5.891249495e+00 -5.891249495e+00 2.80 -5.983206365e+00 -5.983206365e+00 2.82 -6.065554478e+00 -6.065554478e+00 2.84 -6.137078485e+00 -6.137078485e+00 2.86 -6.198039918e+00 -6.198039918e+00 2.88 -6.249321494e+00 -6.249321494e+00 2.90 -6.291761313e+00 -6.291761313e+00 2.92 -6.326101771e+00 -6.326101771e+00 2.94 -6.353006031e+00 -6.353006031e+00 2.96 -6.373014249e+00 -6.373014249e+00 2.98 -6.386578171e+00 -6.386578171e+00 3.00 -6.394057022e+00 -6.394057022e+00 3.02 -6.395898622e+00 -6.395898622e+00 3.04 -6.392270761e+00 -6.392270761e+00 3.06 -6.383237782e+00 -6.383237782e+00 3.08 -6.369120403e+00 -6.369120403e+00 3.10 -6.349827934e+00 -6.349827934e+00 3.12 -6.325343985e+00 -6.325343985e+00 3.14 -6.295683766e+00 -6.295683766e+00 3.16 -6.260911805e+00 -6.260911805e+00 3.18 -6.221153535e+00 -6.221153535e+00 3.20 -6.176591608e+00 -6.176591608e+00 3.22 -6.127446375e+00 -6.127446375e+00 3.24 -6.073950300e+00 -6.073950300e+00 3.26 -6.016328825e+00 -6.016328825e+00 3.28 -5.954794301e+00 -5.954794301e+00 3.30 -5.889550542e+00 -5.889550542e+00 3.32 -5.820802611e+00 -5.820802611e+00 3.34 -5.748755823e+00 -5.748755823e+00 3.36 -5.673691236e+00 -5.673691236e+00 3.38 -5.595898328e+00 -5.595898328e+00 3.40 -5.515766641e+00 -5.515766641e+00 3.42 -5.433781929e+00 -5.433781929e+00 3.44 -5.350513296e+00 -5.350513296e+00 3.46 -5.266567899e+00 -5.266567899e+00 3.48 -5.182521023e+00 -5.182521023e+00 3.50 -5.098843797e+00 -5.098843797e+00 3.52 -5.015851094e+00 -5.015851094e+00 3.54 -4.933683820e+00 -4.933683820e+00 3.56 -4.852324434e+00 -4.852324434e+00 3.58 -4.771634504e+00 -4.771634504e+00 3.60 -4.691400588e+00 -4.691400588e+00 3.62 -4.611378107e+00 -4.611378107e+00 3.64 -4.531328195e+00 -4.531328195e+00 3.66 -4.451046318e+00 -4.451046318e+00 3.68 -4.370382807e+00 -4.370382807e+00 3.70 -4.289255467e+00 -4.289255467e+00 3.72 -4.207653692e+00 -4.207653692e+00 3.74 -4.125633295e+00 -4.125633295e+00 3.76 -4.043303433e+00 -4.043303433e+00 3.78 -3.960808439e+00 -3.960808439e+00 3.80 -3.878309160e+00 -3.878309160e+00 3.82 -3.795967466e+00 -3.795967466e+00 3.84 -3.713936639e+00 -3.713936639e+00 3.86 -3.632329634e+00 -3.632329634e+00 3.88 -3.551336555e+00 -3.551336555e+00 3.90 -3.471043629e+00 -3.471043629e+00 3.92 -3.391571099e+00 -3.391571099e+00 3.94 -3.313046473e+00 -3.313046473e+00 3.96 -3.235613518e+00 -3.235613518e+00 3.98 -3.159439405e+00 -3.159439405e+00 4.00 -3.084717236e+00 -3.084717236e+00 4.02 -3.011670069e+00 -3.011670069e+00 4.04 -2.940413792e+00 -2.940413792e+00 4.06 -2.871358679e+00 -2.871358679e+00 4.08 -2.804568448e+00 -2.804568448e+00 4.10 -2.740160111e+00 -2.740160111e+00 4.12 -2.678183021e+00 -2.678183021e+00 4.14 -2.618617816e+00 -2.618617816e+00 4.16 -2.561384682e+00 -2.561384682e+00 4.18 -2.506357679e+00 -2.506357679e+00 4.20 -2.453381241e+00 -2.453381241e+00 4.22 -2.402285654e+00 -2.402285654e+00 4.24 -2.352899691e+00 -2.352899691e+00 4.26 -2.305059722e+00 -2.305059722e+00 4.28 -2.258615433e+00 -2.258615433e+00 4.30 -2.213432861e+00 -2.213432861e+00 4.32 -2.169395498e+00 -2.169395498e+00 4.34 -2.126403997e+00 -2.126403997e+00 4.36 -2.084375037e+00 -2.084375037e+00 4.38 -2.043239762e+00 -2.043239762e+00 4.40 -2.002941966e+00 -2.002941966e+00 4.42 -1.963436181e+00 -1.963436181e+00 4.44 -1.924685853e+00 -1.924685853e+00 4.46 -1.886661651e+00 -1.886661651e+00 4.48 -1.849339933e+00 -1.849339933e+00 4.50 -1.812701423e+00 -1.812701423e+00 4.52 -1.776730119e+00 -1.776730119e+00 4.54 -1.741412397e+00 -1.741412397e+00 4.56 -1.706736299e+00 -1.706736299e+00 4.58 -1.672690992e+00 -1.672690992e+00 4.60 -1.639266364e+00 -1.639266364e+00 4.62 -1.606452718e+00 -1.606452718e+00 4.64 -1.574240562e+00 -1.574240562e+00 4.66 -1.542620452e+00 -1.542620452e+00 4.68 -1.511582882e+00 -1.511582882e+00 4.70 -1.481118232e+00 -1.481118232e+00 4.72 -1.451158554e+00 -1.451158554e+00 4.74 -1.421820721e+00 -1.421820721e+00 4.76 -1.393023300e+00 -1.393023300e+00 4.78 -1.364755921e+00 -1.364755921e+00 4.80 -1.337007719e+00 -1.337007719e+00 4.82 -1.309767287e+00 -1.309767287e+00 4.84 -1.283022623e+00 -1.283022623e+00 4.86 -1.256761063e+00 -1.256761063e+00 4.88 -1.230969212e+00 -1.230969212e+00 4.90 -1.205632869e+00 -1.205632869e+00 4.92 -1.180736953e+00 -1.180736953e+00 4.94 -1.156265448e+00 -1.156265448e+00 4.96 -1.132201355e+00 -1.132201355e+00 4.98 -1.108526707e+00 -1.108526707e+00 5.00 -1.085222626e+00 -1.085222626e+00 5.02 -1.062269475e+00 -1.062269475e+00 5.04 -1.039647126e+00 -1.039647126e+00 5.06 -1.017335371e+00 -1.017335371e+00 5.08 -9.953145222e-01 -9.953145222e-01 5.10 -9.735661766e-01 -9.735661766e-01 5.12 -9.520742053e-01 -9.520742053e-01 5.14 -9.308258355e-01 -9.308258355e-01 5.16 -9.098128514e-01 -9.098128514e-01 5.18 -8.890326305e-01 -8.890326305e-01 5.20 -8.684889868e-01 -8.684889868e-01 5.22 -8.481924270e-01 -8.481924270e-01 5.24 -8.281597952e-01 -8.281597952e-01 5.26 -8.084130405e-01 -8.084130405e-01 5.28 -7.889772180e-01 -7.889772180e-01 5.30 -7.698778747e-01 -7.698778747e-01 5.32 -7.511380984e-01 -7.511380984e-01 5.34 -7.327757806e-01 -7.327757806e-01 5.36 -7.148013026e-01 -7.148013026e-01 5.38 -6.972161999e-01 -6.972161999e-01 5.40 -6.800126874e-01 -6.800126874e-01 5.42 -6.631742681e-01 -6.631742681e-01 5.44 -6.466770548e-01 -6.466770548e-01 5.46 -6.304917283e-01 -6.304917283e-01 5.48 -6.145858083e-01 -6.145858083e-01 5.50 -5.989260504e-01 -5.989260504e-01 5.52 -5.834808598e-01 -5.834808598e-01 5.54 -5.682224983e-01 -5.682224983e-01 5.56 -5.531291532e-01 -5.531291532e-01 5.58 -5.381865554e-01 -5.381865554e-01 5.60 -5.233892767e-01 -5.233892767e-01 5.62 -5.087413155e-01 -5.087413155e-01 5.64 -4.942561027e-01 -4.942561027e-01 5.66 -4.799555889e-01 -4.799555889e-01 5.68 -4.658686072e-01 -4.658686072e-01 5.70 -4.520284532e-01 -4.520284532e-01 5.72 -4.384699564e-01 -4.384699564e-01 5.74 -4.252263792e-01 -4.252263792e-01 5.76 -4.123263978e-01 -4.123263978e-01 5.78 -3.997916702e-01 -3.997916702e-01 5.80 -3.876350955e-01 -3.876350955e-01 5.82 -3.758601167e-01 -3.758601167e-01 5.84 -3.644608338e-01 -3.644608338e-01 5.86 -3.534230554e-01 -3.534230554e-01 5.88 -3.427258905e-01 -3.427258905e-01 5.90 -3.323438103e-01 -3.323438103e-01 5.92 -3.222488553e-01 -3.222488553e-01 5.94 -3.124128321e-01 -3.124128321e-01 5.96 -3.028090253e-01 -3.028090253e-01 5.98 -2.934123772e-01 -2.934123772e-01 6.00 -2.842048428e-01 -2.842048428e-01