# 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 = TaTi2Zr # 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 2.492065818e+02 2.492065818e+02 1.28 2.319823322e+02 2.319823322e+02 1.30 2.159776385e+02 2.159776385e+02 1.32 2.010904419e+02 2.010904419e+02 1.34 1.872343931e+02 1.872343931e+02 1.36 1.743361502e+02 1.743361502e+02 1.38 1.623297833e+02 1.623297833e+02 1.40 1.511527065e+02 1.511527065e+02 1.42 1.407446188e+02 1.407446188e+02 1.44 1.310500352e+02 1.310500352e+02 1.46 1.220185146e+02 1.220185146e+02 1.48 1.136005665e+02 1.136005665e+02 1.50 1.057447948e+02 1.057447948e+02 1.52 9.840233814e+01 9.840233814e+01 1.54 9.153168383e+01 9.153168378e+01 1.56 8.509907320e+01 8.509907320e+01 1.58 7.907606022e+01 7.907606022e+01 1.60 7.343585052e+01 7.343585052e+01 1.62 6.815213865e+01 6.815213865e+01 1.64 6.320104827e+01 6.320104827e+01 1.66 5.856553755e+01 5.856553755e+01 1.68 5.422887226e+01 5.422887226e+01 1.70 5.017423686e+01 5.017423686e+01 1.72 4.638611792e+01 4.638611792e+01 1.74 4.284969318e+01 4.284969318e+01 1.76 3.954877054e+01 3.954877054e+01 1.78 3.646588698e+01 3.646588698e+01 1.80 3.358354136e+01 3.358354136e+01 1.82 3.088622007e+01 3.088622007e+01 1.84 2.836156656e+01 2.836156656e+01 1.86 2.599966180e+01 2.599966180e+01 1.88 2.379174760e+01 2.379174760e+01 1.90 2.172906606e+01 2.172906606e+01 1.92 1.980266213e+01 1.980266213e+01 1.94 1.800333532e+01 1.800333532e+01 1.96 1.632212175e+01 1.632212175e+01 1.98 1.475078163e+01 1.475078163e+01 2.00 1.328179703e+01 1.328179703e+01 2.02 1.190803118e+01 1.190803118e+01 2.04 1.062253055e+01 1.062253055e+01 2.06 9.418754155e+00 9.418754155e+00 2.08 8.291172081e+00 8.291172081e+00 2.10 7.235349675e+00 7.235349675e+00 2.12 6.247631677e+00 6.247631677e+00 2.14 5.324460394e+00 5.324460394e+00 2.16 4.462034274e+00 4.462034274e+00 2.18 3.656228184e+00 3.656228184e+00 2.20 2.903013662e+00 2.903013662e+00 2.22 2.198929224e+00 2.198929224e+00 2.24 1.541318029e+00 1.541318029e+00 2.26 9.282195935e-01 9.282195935e-01 2.28 3.579281359e-01 3.579281359e-01 2.30 -1.711996585e-01 -1.711996585e-01 2.32 -6.612386152e-01 -6.612386152e-01 2.34 -1.114783661e+00 -1.114783661e+00 2.36 -1.534865579e+00 -1.534865579e+00 2.38 -1.924726958e+00 -1.924726958e+00 2.40 -2.287425906e+00 -2.287425906e+00 2.42 -2.625628182e+00 -2.625628182e+00 2.44 -2.941477365e+00 -2.941477365e+00 2.46 -3.236581516e+00 -3.236581516e+00 2.48 -3.512064399e+00 -3.512064399e+00 2.50 -3.768686183e+00 -3.768686183e+00 2.52 -4.007023442e+00 -4.007023442e+00 2.54 -4.227653728e+00 -4.227653728e+00 2.56 -4.431282445e+00 -4.431282445e+00 2.58 -4.618767136e+00 -4.618767136e+00 2.60 -4.791182333e+00 -4.791182333e+00 2.62 -4.949613580e+00 -4.949613580e+00 2.64 -5.095179785e+00 -5.095179785e+00 2.66 -5.228914162e+00 -5.228914162e+00 2.68 -5.351692663e+00 -5.351692663e+00 2.70 -5.464206752e+00 -5.464206752e+00 2.72 -5.566970898e+00 -5.566970898e+00 2.74 -5.659650714e+00 -5.659650714e+00 2.76 -5.741950889e+00 -5.741950889e+00 2.78 -5.814427691e+00 -5.814427691e+00 2.80 -5.877207092e+00 -5.877207092e+00 2.82 -5.930239697e+00 -5.930239697e+00 2.84 -5.974232837e+00 -5.974232837e+00 2.86 -6.009864574e+00 -6.009864574e+00 2.88 -6.037762175e+00 -6.037762175e+00 2.90 -6.058488503e+00 -6.058488503e+00 2.92 -6.072499630e+00 -6.072499630e+00 2.94 -6.080134606e+00 -6.080134606e+00 2.96 -6.081536827e+00 -6.081536827e+00 2.98 -6.076922735e+00 -6.076922735e+00 3.00 -6.066375329e+00 -6.066375329e+00 3.02 -6.050262959e+00 -6.050262959e+00 3.04 -6.028729679e+00 -6.028729679e+00 3.06 -6.001757176e+00 -6.001757176e+00 3.08 -5.969418544e+00 -5.969418544e+00 3.10 -5.931716020e+00 -5.931716020e+00 3.12 -5.888714472e+00 -5.888714472e+00 3.14 -5.840551871e+00 -5.840551871e+00 3.16 -5.787488692e+00 -5.787488692e+00 3.18 -5.729935715e+00 -5.729935715e+00 3.20 -5.668436938e+00 -5.668436938e+00 3.22 -5.603605437e+00 -5.603605437e+00 3.24 -5.536037438e+00 -5.536037438e+00 3.26 -5.466241339e+00 -5.466241339e+00 3.28 -5.394606141e+00 -5.394606141e+00 3.30 -5.321409760e+00 -5.321409760e+00 3.32 -5.246850489e+00 -5.246850489e+00 3.34 -5.171074969e+00 -5.171074969e+00 3.36 -5.094245131e+00 -5.094245131e+00 3.38 -5.016505021e+00 -5.016505021e+00 3.40 -4.938036558e+00 -4.938036558e+00 3.42 -4.859053058e+00 -4.859053058e+00 3.44 -4.779789368e+00 -4.779789368e+00 3.46 -4.700478577e+00 -4.700478577e+00 3.48 -4.621319826e+00 -4.621319826e+00 3.50 -4.542448189e+00 -4.542448189e+00 3.52 -4.463915674e+00 -4.463915674e+00 3.54 -4.385688885e+00 -4.385688885e+00 3.56 -4.307661919e+00 -4.307661919e+00 3.58 -4.229679267e+00 -4.229679267e+00 3.60 -4.151563245e+00 -4.151563245e+00 3.62 -4.073141710e+00 -4.073141710e+00 3.64 -3.994274519e+00 -3.994274519e+00 3.66 -3.914877304e+00 -3.914877304e+00 3.68 -3.834941043e+00 -3.834941043e+00 3.70 -3.754544100e+00 -3.754544100e+00 3.72 -3.673853025e+00 -3.673853025e+00 3.74 -3.593109074e+00 -3.593109074e+00 3.76 -3.512601741e+00 -3.512601741e+00 3.78 -3.432634922e+00 -3.432634922e+00 3.80 -3.353494187e+00 -3.353494187e+00 3.82 -3.275422913e+00 -3.275422913e+00 3.84 -3.198611233e+00 -3.198611233e+00 3.86 -3.123180288e+00 -3.123180288e+00 3.88 -3.049260373e+00 -3.049260373e+00 3.90 -2.976892763e+00 -2.976892763e+00 3.92 -2.906120401e+00 -2.906120401e+00 3.94 -2.836977968e+00 -2.836977968e+00 3.96 -2.769500841e+00 -2.769500841e+00 3.98 -2.703731151e+00 -2.703731151e+00 4.00 -2.639720349e+00 -2.639720349e+00 4.02 -2.577531700e+00 -2.577531700e+00 4.04 -2.517175855e+00 -2.517175855e+00 4.06 -2.458799821e+00 -2.458799821e+00 4.08 -2.402385365e+00 -2.402385365e+00 4.10 -2.347937631e+00 -2.347937631e+00 4.12 -2.295428822e+00 -2.295428822e+00 4.14 -2.244798577e+00 -2.244798577e+00 4.16 -2.195958827e+00 -2.195958827e+00 4.18 -2.148801456e+00 -2.148801456e+00 4.20 -2.103206823e+00 -2.103206823e+00 4.22 -2.059051595e+00 -2.059051595e+00 4.24 -2.016215056e+00 -2.016215056e+00 4.26 -1.974583618e+00 -1.974583618e+00 4.28 -1.934053602e+00 -1.934053602e+00 4.30 -1.894532696e+00 -1.894532696e+00 4.32 -1.855940455e+00 -1.855940455e+00 4.34 -1.818208063e+00 -1.818208063e+00 4.36 -1.781277630e+00 -1.781277630e+00 4.38 -1.745101229e+00 -1.745101229e+00 4.40 -1.709639734e+00 -1.709639734e+00 4.42 -1.674861546e+00 -1.674861546e+00 4.44 -1.640741333e+00 -1.640741333e+00 4.46 -1.607258831e+00 -1.607258831e+00 4.48 -1.574397714e+00 -1.574397714e+00 4.50 -1.542144618e+00 -1.542144618e+00 4.52 -1.510488312e+00 -1.510488312e+00 4.54 -1.479419025e+00 -1.479419025e+00 4.56 -1.448927911e+00 -1.448927911e+00 4.58 -1.419006639e+00 -1.419006639e+00 4.60 -1.389647104e+00 -1.389647104e+00 4.62 -1.360841207e+00 -1.360841207e+00 4.64 -1.332580709e+00 -1.332580709e+00 4.66 -1.304857127e+00 -1.304857127e+00 4.68 -1.277661663e+00 -1.277661663e+00 4.70 -1.250985165e+00 -1.250985165e+00 4.72 -1.224788239e+00 -1.224788239e+00 4.74 -1.199126032e+00 -1.199126032e+00 4.76 -1.173951562e+00 -1.173951562e+00 4.78 -1.149253959e+00 -1.149253959e+00 4.80 -1.125021695e+00 -1.125021695e+00 4.82 -1.101242524e+00 -1.101242524e+00 4.84 -1.077903399e+00 -1.077903399e+00 4.86 -1.054990395e+00 -1.054990395e+00 4.88 -1.032488599e+00 -1.032488599e+00 4.90 -1.010382029e+00 -1.010382029e+00 4.92 -9.886535299e-01 -9.886535299e-01 4.94 -9.672847155e-01 -9.672847155e-01 4.96 -9.462559215e-01 -9.462559215e-01 4.98 -9.255462398e-01 -9.255462398e-01 5.00 -9.051336250e-01 -9.051336250e-01 5.02 -8.849951357e-01 -8.849951357e-01 5.04 -8.651073366e-01 -8.651073366e-01 5.06 -8.454469066e-01 -8.454469066e-01 5.08 -8.259915042e-01 -8.259915042e-01 5.10 -8.067208702e-01 -8.067208702e-01 5.12 -7.876182339e-01 -7.876182339e-01 5.14 -7.686718423e-01 -7.686718423e-01 5.16 -7.498766512e-01 -7.498766512e-01 5.18 -7.312357697e-01 -7.312357697e-01 5.20 -7.127616343e-01 -7.127616343e-01 5.22 -6.944763505e-01 -6.944763505e-01 5.24 -6.764111912e-01 -6.764111912e-01 5.26 -6.586048710e-01 -6.586048710e-01 5.28 -6.411007795e-01 -6.411007795e-01 5.30 -6.239433652e-01 -6.239433652e-01 5.32 -6.071740826e-01 -6.071740826e-01 5.34 -5.908276304e-01 -5.908276304e-01 5.36 -5.749287843e-01 -5.749287843e-01 5.38 -5.594905405e-01 -5.594905405e-01 5.40 -5.445134041e-01 -5.445134041e-01 5.42 -5.299860831e-01 -5.299860831e-01 5.44 -5.158870546e-01 -5.158870546e-01 5.46 -5.021868794e-01 -5.021868794e-01 5.48 -4.888507826e-01 -4.888507826e-01 5.50 -4.758412791e-01 -4.758412791e-01 5.52 -4.631206432e-01 -4.631206432e-01 5.54 -4.506530381e-01 -4.506530381e-01 5.56 -4.384063530e-01 -4.384063530e-01 5.58 -4.263535419e-01 -4.263535419e-01 5.60 -4.144736120e-01 -4.144736120e-01 5.62 -4.027520286e-01 -4.027520286e-01 5.64 -3.911806822e-01 -3.911806822e-01 5.66 -3.797572052e-01 -3.797572052e-01 5.68 -3.684838257e-01 -3.684838257e-01 5.70 -3.573657133e-01 -3.573657133e-01 5.72 -3.464090230e-01 -3.464090230e-01 5.74 -3.356188527e-01 -3.356188527e-01 5.76 -3.249973176e-01 -3.249973176e-01 5.78 -3.145420604e-01 -3.145420604e-01 5.80 -3.042452671e-01 -3.042452671e-01 5.82 -2.940934599e-01 -2.940934599e-01 5.84 -2.840679346e-01 -2.840679346e-01 5.86 -2.741459483e-01 -2.741459483e-01 5.88 -2.643023963e-01 -2.643023963e-01 5.90 -2.545119483e-01 -2.545119483e-01 5.92 -2.447514343e-01 -2.447514343e-01 5.94 -2.350022946e-01 -2.350022946e-01 5.96 -2.252528880e-01 -2.252528880e-01 5.98 -2.155004943e-01 -2.155004943e-01 6.00 -2.057528717e-01 -2.057528717e-01