# 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 = HfTa2Zr # 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 3.892075774e+02 3.892075774e+02 1.28 3.625378961e+02 3.625378961e+02 1.30 3.377792966e+02 3.377792966e+02 1.32 3.147726894e+02 3.147726894e+02 1.34 2.933744455e+02 2.933744455e+02 1.36 2.734566398e+02 2.734566398e+02 1.38 2.549027011e+02 2.549027011e+02 1.40 2.376057305e+02 2.376057305e+02 1.42 2.214707274e+02 2.214707274e+02 1.44 2.064148881e+02 2.064148881e+02 1.46 1.923648786e+02 1.923648786e+02 1.48 1.792530964e+02 1.792530964e+02 1.50 1.670151430e+02 1.670151430e+02 1.52 1.555871334e+02 1.555871334e+02 1.54 1.449067428e+02 1.449067428e+02 1.56 1.349157772e+02 1.349157772e+02 1.58 1.255620159e+02 1.255620159e+02 1.60 1.167985478e+02 1.167985478e+02 1.62 1.085846603e+02 1.085846603e+02 1.64 1.008852109e+02 1.008852109e+02 1.66 9.367028430e+01 9.367028430e+01 1.68 8.691340714e+01 8.691340714e+01 1.70 8.059024499e+01 8.059024499e+01 1.72 7.468014074e+01 7.468014074e+01 1.74 6.916283386e+01 6.916283386e+01 1.76 6.401196913e+01 6.401196913e+01 1.78 5.920202831e+01 5.920202831e+01 1.80 5.470919682e+01 5.470919682e+01 1.82 5.051170076e+01 5.051170076e+01 1.84 4.659009293e+01 4.659009293e+01 1.86 4.292707083e+01 4.292707083e+01 1.88 3.950692642e+01 3.950692642e+01 1.90 3.631492833e+01 3.631492833e+01 1.92 3.333658621e+01 3.333658621e+01 1.94 3.055771586e+01 3.055771586e+01 1.96 2.796465411e+01 2.796465411e+01 1.98 2.554436809e+01 2.554436809e+01 2.00 2.328419957e+01 2.328419957e+01 2.02 2.117183123e+01 2.117183123e+01 2.04 1.919539003e+01 1.919539003e+01 2.06 1.734414675e+01 1.734414675e+01 2.08 1.560873513e+01 1.560873513e+01 2.10 1.398125117e+01 1.398125117e+01 2.12 1.245512953e+01 1.245512953e+01 2.14 1.102472275e+01 1.102472275e+01 2.16 9.685267327e+00 9.685267327e+00 2.18 8.432420829e+00 8.432420829e+00 2.20 7.262042807e+00 7.262042807e+00 2.22 6.169988429e+00 6.169988429e+00 2.24 5.152103712e+00 5.152103712e+00 2.26 4.204118968e+00 4.204118968e+00 2.28 3.321839916e+00 3.321839916e+00 2.30 2.501075758e+00 2.501075758e+00 2.32 1.737490351e+00 1.737490351e+00 2.34 1.026711218e+00 1.026711218e+00 2.36 3.645572666e-01 3.645572666e-01 2.38 -2.528168652e-01 -2.528168652e-01 2.40 -8.286393393e-01 -8.286393393e-01 2.42 -1.365642456e+00 -1.365642456e+00 2.44 -1.866132703e+00 -1.866132703e+00 2.46 -2.332119570e+00 -2.332119570e+00 2.48 -2.765441306e+00 -2.765441306e+00 2.50 -3.167882200e+00 -3.167882200e+00 2.52 -3.541270167e+00 -3.541270167e+00 2.54 -3.887528649e+00 -3.887528649e+00 2.56 -4.208655222e+00 -4.208655222e+00 2.58 -4.506597562e+00 -4.506597562e+00 2.60 -4.783275739e+00 -4.783275739e+00 2.62 -5.040243226e+00 -5.040243226e+00 2.64 -5.278784718e+00 -5.278784718e+00 2.66 -5.499850536e+00 -5.499850536e+00 2.68 -5.704109889e+00 -5.704109889e+00 2.70 -5.892074514e+00 -5.892074514e+00 2.72 -6.064243680e+00 -6.064243680e+00 2.74 -6.221153595e+00 -6.221153595e+00 2.76 -6.363563422e+00 -6.363563422e+00 2.78 -6.492177852e+00 -6.492177852e+00 2.80 -6.607790776e+00 -6.607790776e+00 2.82 -6.710599332e+00 -6.710599332e+00 2.84 -6.800076459e+00 -6.800076459e+00 2.86 -6.876003778e+00 -6.876003778e+00 2.88 -6.939533770e+00 -6.939533770e+00 2.90 -6.991900386e+00 -6.991900386e+00 2.92 -7.034191378e+00 -7.034191378e+00 2.94 -7.067264058e+00 -7.067264058e+00 2.96 -7.091768807e+00 -7.091768807e+00 2.98 -7.108278450e+00 -7.108278450e+00 3.00 -7.117245119e+00 -7.117245119e+00 3.02 -7.119209310e+00 -7.119209310e+00 3.04 -7.114599057e+00 -7.114599057e+00 3.06 -7.103920099e+00 -7.103920099e+00 3.08 -7.087200224e+00 -7.087200224e+00 3.10 -7.064225731e+00 -7.064225731e+00 3.12 -7.034868529e+00 -7.034868529e+00 3.14 -6.999006509e+00 -6.999006509e+00 3.16 -6.956528817e+00 -6.956528817e+00 3.18 -6.907345737e+00 -6.907345737e+00 3.20 -6.851403662e+00 -6.851403662e+00 3.22 -6.788703066e+00 -6.788703066e+00 3.24 -6.719317751e+00 -6.719317751e+00 3.26 -6.643410252e+00 -6.643410252e+00 3.28 -6.561240645e+00 -6.561240645e+00 3.30 -6.473165939e+00 -6.473165939e+00 3.32 -6.379633642e+00 -6.379633642e+00 3.34 -6.281158555e+00 -6.281158555e+00 3.36 -6.178394032e+00 -6.178394032e+00 3.38 -6.072026737e+00 -6.072026737e+00 3.40 -5.962863851e+00 -5.962863851e+00 3.42 -5.851802428e+00 -5.851802428e+00 3.44 -5.739789753e+00 -5.739789753e+00 3.46 -5.627752960e+00 -5.627752960e+00 3.48 -5.516509516e+00 -5.516509516e+00 3.50 -5.406686219e+00 -5.406686219e+00 3.52 -5.298669185e+00 -5.298669185e+00 3.54 -5.192597465e+00 -5.192597465e+00 3.56 -5.088394871e+00 -5.088394871e+00 3.58 -4.985824781e+00 -4.985824781e+00 3.60 -4.884551256e+00 -4.884551256e+00 3.62 -4.784193707e+00 -4.784193707e+00 3.64 -4.684369851e+00 -4.684369851e+00 3.66 -4.584725681e+00 -4.584725681e+00 3.68 -4.484954736e+00 -4.484954736e+00 3.70 -4.384809621e+00 -4.384809621e+00 3.72 -4.284109035e+00 -4.284109035e+00 3.74 -4.182742229e+00 -4.182742229e+00 3.76 -4.080673041e+00 -4.080673041e+00 3.78 -3.977943928e+00 -3.977943928e+00 3.80 -3.874678728e+00 -3.874678728e+00 3.82 -3.771081172e+00 -3.771081172e+00 3.84 -3.667427962e+00 -3.667427962e+00 3.86 -3.564018086e+00 -3.564018086e+00 3.88 -3.461309219e+00 -3.461309219e+00 3.90 -3.359654205e+00 -3.359654205e+00 3.92 -3.259457413e+00 -3.259457413e+00 3.94 -3.161117427e+00 -3.161117427e+00 3.96 -3.065020629e+00 -3.065020629e+00 3.98 -2.971536914e+00 -2.971536914e+00 4.00 -2.881014621e+00 -2.881014621e+00 4.02 -2.793784871e+00 -2.793784871e+00 4.04 -2.709959557e+00 -2.709959557e+00 4.06 -2.630060106e+00 -2.630060106e+00 4.08 -2.554054176e+00 -2.554054176e+00 4.10 -2.481987709e+00 -2.481987709e+00 4.12 -2.413815709e+00 -2.413815709e+00 4.14 -2.349410370e+00 -2.349410370e+00 4.16 -2.288577004e+00 -2.288577004e+00 4.18 -2.231074122e+00 -2.231074122e+00 4.20 -2.176633914e+00 -2.176633914e+00 4.22 -2.124980221e+00 -2.124980221e+00 4.24 -2.075842608e+00 -2.075842608e+00 4.26 -2.028966138e+00 -2.028966138e+00 4.28 -1.984117108e+00 -1.984117108e+00 4.30 -1.941085766e+00 -1.941085766e+00 4.32 -1.899686890e+00 -1.899686890e+00 4.34 -1.859758809e+00 -1.859758809e+00 4.36 -1.821161575e+00 -1.821161575e+00 4.38 -1.783774772e+00 -1.783774772e+00 4.40 -1.747495168e+00 -1.747495168e+00 4.42 -1.712234323e+00 -1.712234323e+00 4.44 -1.677916431e+00 -1.677916431e+00 4.46 -1.644476390e+00 -1.644476390e+00 4.48 -1.611858079e+00 -1.611858079e+00 4.50 -1.580012910e+00 -1.580012910e+00 4.52 -1.548898641e+00 -1.548898641e+00 4.54 -1.518478374e+00 -1.518478374e+00 4.56 -1.488719704e+00 -1.488719704e+00 4.58 -1.459594040e+00 -1.459594040e+00 4.60 -1.431076030e+00 -1.431076030e+00 4.62 -1.403143060e+00 -1.403143060e+00 4.64 -1.375774846e+00 -1.375774846e+00 4.66 -1.348953088e+00 -1.348953088e+00 4.68 -1.322661173e+00 -1.322661173e+00 4.70 -1.296883954e+00 -1.296883954e+00 4.72 -1.271531575e+00 -1.271531575e+00 4.74 -1.246756587e+00 -1.246756587e+00 4.76 -1.222454768e+00 -1.222454768e+00 4.78 -1.198615325e+00 -1.198615325e+00 4.80 -1.175228013e+00 -1.175228013e+00 4.82 -1.152283046e+00 -1.152283046e+00 4.84 -1.129771037e+00 -1.129771037e+00 4.86 -1.107682935e+00 -1.107682935e+00 4.88 -1.086009968e+00 -1.086009968e+00 4.90 -1.064743591e+00 -1.064743591e+00 4.92 -1.043875444e+00 -1.043875444e+00 4.94 -1.023397302e+00 -1.023397302e+00 4.96 -1.003301037e+00 -1.003301037e+00 4.98 -9.835785710e-01 -9.835785710e-01 5.00 -9.642218361e-01 -9.642218361e-01 5.02 -9.452227302e-01 -9.452227302e-01 5.04 -9.265730699e-01 -9.265730699e-01 5.06 -9.082645443e-01 -9.082645443e-01 5.08 -8.902886609e-01 -8.902886609e-01 5.10 -8.726366921e-01 -8.726366921e-01 5.12 -8.552996132e-01 -8.552996132e-01 5.14 -8.382680415e-01 -8.382680415e-01 5.16 -8.215321637e-01 -8.215321637e-01 5.18 -8.050816677e-01 -8.050816677e-01 5.20 -7.889056627e-01 -7.889056627e-01 5.22 -7.729926077e-01 -7.729926077e-01 5.24 -7.573302303e-01 -7.573302303e-01 5.26 -7.419054637e-01 -7.419054637e-01 5.28 -7.267043806e-01 -7.267043806e-01 5.30 -7.117121597e-01 -7.117121597e-01 5.32 -6.969130668e-01 -6.969130668e-01 5.34 -6.822904902e-01 -6.822904902e-01 5.36 -6.678270204e-01 -6.678270204e-01 5.38 -6.535046152e-01 -6.535046152e-01 5.40 -6.393048547e-01 -6.393048547e-01 5.42 -6.252093123e-01 -6.252093123e-01 5.44 -6.112000696e-01 -6.112000696e-01 5.46 -5.972603723e-01 -5.972603723e-01 5.48 -5.833754733e-01 -5.833754733e-01 5.50 -5.695335823e-01 -5.695335823e-01 5.52 -5.557269875e-01 -5.557269875e-01 5.54 -5.419531563e-01 -5.419531563e-01 5.56 -5.282158784e-01 -5.282158784e-01 5.58 -5.145261347e-01 -5.145261347e-01 5.60 -5.009027466e-01 -5.009027466e-01 5.62 -4.873724387e-01 -4.873724387e-01 5.64 -4.739693866e-01 -4.739693866e-01 5.66 -4.607333160e-01 -4.607333160e-01 5.68 -4.477063130e-01 -4.477063130e-01 5.70 -4.349360450e-01 -4.349360450e-01 5.72 -4.224698696e-01 -4.224698696e-01 5.74 -4.103515267e-01 -4.103515267e-01 5.76 -3.986185073e-01 -3.986185073e-01 5.78 -3.873001020e-01 -3.873001020e-01 5.80 -3.764160740e-01 -3.764160740e-01 5.82 -3.659762772e-01 -3.659762772e-01 5.84 -3.559809132e-01 -3.559809132e-01 5.86 -3.464214995e-01 -3.464214995e-01 5.88 -3.372821697e-01 -3.372821697e-01 5.90 -3.285412344e-01 -3.285412344e-01 5.92 -3.201727229e-01 -3.201727229e-01 5.94 -3.121478247e-01 -3.121478247e-01 5.96 -3.044361233e-01 -3.044361233e-01 5.98 -2.970065695e-01 -2.970065695e-01 6.00 -2.898282158e-01 -2.898282158e-01