# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Mo2TaTi # 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 2025-12-17 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 9.048070342e+02 9.048070342e+02 1.08 8.165868607e+02 8.165868607e+02 1.10 7.382809970e+02 7.382809970e+02 1.12 6.684720954e+02 6.684720954e+02 1.14 6.054343769e+02 6.054343769e+02 1.16 5.483624443e+02 5.483624443e+02 1.18 4.971524896e+02 4.971524896e+02 1.20 4.508916902e+02 4.508916902e+02 1.22 4.087656799e+02 4.087656799e+02 1.24 3.703902356e+02 3.703902356e+02 1.26 3.357152893e+02 3.357152893e+02 1.28 3.043894513e+02 3.043894513e+02 1.30 2.760302473e+02 2.760302473e+02 1.32 2.503606533e+02 2.503606533e+02 1.34 2.270434796e+02 2.270434796e+02 1.36 2.057764002e+02 2.057764002e+02 1.38 1.865664716e+02 1.865664716e+02 1.40 1.692028510e+02 1.692028510e+02 1.42 1.534015620e+02 1.534015620e+02 1.44 1.391335812e+02 1.391335812e+02 1.46 1.261820603e+02 1.261820603e+02 1.48 1.144178425e+02 1.144178425e+02 1.50 1.038207647e+02 1.038207647e+02 1.52 9.419216695e+01 9.419216695e+01 1.54 8.538468258e+01 8.538468258e+01 1.56 7.742463922e+01 7.742463922e+01 1.58 7.024579828e+01 7.024579828e+01 1.60 6.381841797e+01 6.381841797e+01 1.62 5.792973357e+01 5.792973357e+01 1.64 5.248941270e+01 5.248941270e+01 1.66 4.748493852e+01 4.748493852e+01 1.68 4.286988998e+01 4.286988998e+01 1.70 3.862183981e+01 3.862183981e+01 1.72 3.478865709e+01 3.478865709e+01 1.74 3.137917080e+01 3.137917080e+01 1.76 2.831454000e+01 2.831454000e+01 1.78 2.555752391e+01 2.555752391e+01 1.80 2.311658669e+01 2.311658669e+01 1.82 2.094322813e+01 2.094322813e+01 1.84 1.900192359e+01 1.900192359e+01 1.86 1.725706526e+01 1.725706526e+01 1.88 1.569148465e+01 1.569148465e+01 1.90 1.430264556e+01 1.430264556e+01 1.92 1.305400179e+01 1.305400179e+01 1.94 1.189661705e+01 1.189661705e+01 1.96 1.079579199e+01 1.079579199e+01 1.98 9.733220297e+00 9.733220297e+00 2.00 8.705030335e+00 8.705030335e+00 2.02 7.764796500e+00 7.764796500e+00 2.04 6.887645786e+00 6.887645786e+00 2.06 6.054378867e+00 6.054378867e+00 2.08 5.231038253e+00 5.231038253e+00 2.10 4.416870700e+00 4.416870700e+00 2.12 3.666864509e+00 3.666864509e+00 2.14 2.889940673e+00 2.889940673e+00 2.16 2.178591881e+00 2.178591881e+00 2.18 1.535167469e+00 1.535167469e+00 2.20 7.088269859e-01 7.088269859e-01 2.22 -6.739309429e-02 -6.739309429e-02 2.24 -7.732251918e-01 -7.732251918e-01 2.26 -1.368474487e+00 -1.368474487e+00 2.28 -1.867234391e+00 -1.867234391e+00 2.30 -2.290712166e+00 -2.290712166e+00 2.32 -2.677998508e+00 -2.677998508e+00 2.34 -3.061871624e+00 -3.061871624e+00 2.36 -3.443117267e+00 -3.443117267e+00 2.38 -3.810357191e+00 -3.810357191e+00 2.40 -4.148964523e+00 -4.148964523e+00 2.42 -4.462916182e+00 -4.462916182e+00 2.44 -4.752851260e+00 -4.752851260e+00 2.46 -5.008752326e+00 -5.008752326e+00 2.48 -5.232260907e+00 -5.232260907e+00 2.50 -5.431508252e+00 -5.431508252e+00 2.52 -5.610612406e+00 -5.610612406e+00 2.54 -5.771338343e+00 -5.771338343e+00 2.56 -5.914737993e+00 -5.914737993e+00 2.58 -6.042585633e+00 -6.042585633e+00 2.60 -6.154528122e+00 -6.154528122e+00 2.62 -6.259484393e+00 -6.259484393e+00 2.64 -6.364488245e+00 -6.364488245e+00 2.66 -6.464399272e+00 -6.464399272e+00 2.68 -6.555995231e+00 -6.555995231e+00 2.70 -6.629102895e+00 -6.629102895e+00 2.72 -6.682316479e+00 -6.682316479e+00 2.74 -6.716994021e+00 -6.716994021e+00 2.76 -6.737305964e+00 -6.737305964e+00 2.78 -6.744244662e+00 -6.744244662e+00 2.80 -6.737759659e+00 -6.737759659e+00 2.82 -6.714732389e+00 -6.714732389e+00 2.84 -6.671868428e+00 -6.671868428e+00 2.86 -6.615811011e+00 -6.615811011e+00 2.88 -6.556237916e+00 -6.556237916e+00 2.90 -6.501368946e+00 -6.501368946e+00 2.92 -6.453140634e+00 -6.453140634e+00 2.94 -6.409387792e+00 -6.409387792e+00 2.96 -6.364802410e+00 -6.364802410e+00 2.98 -6.313214280e+00 -6.313214280e+00 3.00 -6.251745771e+00 -6.251745771e+00 3.02 -6.179427367e+00 -6.179427367e+00 3.04 -6.095349187e+00 -6.095349187e+00 3.06 -6.001352328e+00 -6.001352328e+00 3.08 -5.904219362e+00 -5.904219362e+00 3.10 -5.813324032e+00 -5.813324032e+00 3.12 -5.726950687e+00 -5.726950687e+00 3.14 -5.633796032e+00 -5.633796032e+00 3.16 -5.526957730e+00 -5.526957730e+00 3.18 -5.395811648e+00 -5.395811648e+00 3.20 -5.247326039e+00 -5.247326039e+00 3.22 -5.109892225e+00 -5.109892225e+00 3.24 -5.021265673e+00 -5.021265673e+00 3.26 -4.956131901e+00 -4.956131901e+00 3.28 -4.884844294e+00 -4.884844294e+00 3.30 -4.803575327e+00 -4.803575327e+00 3.32 -4.711947902e+00 -4.711947902e+00 3.34 -4.611244038e+00 -4.611244038e+00 3.36 -4.501919351e+00 -4.501919351e+00 3.38 -4.383773544e+00 -4.383773544e+00 3.40 -4.257922594e+00 -4.257922594e+00 3.42 -4.130011213e+00 -4.130011213e+00 3.44 -4.005485857e+00 -4.005485857e+00 3.46 -3.887201151e+00 -3.887201151e+00 3.48 -3.774924325e+00 -3.774924325e+00 3.50 -3.664276433e+00 -3.664276433e+00 3.52 -3.551835130e+00 -3.551835130e+00 3.54 -3.436490242e+00 -3.436490242e+00 3.56 -3.317663909e+00 -3.317663909e+00 3.58 -3.197310675e+00 -3.197310675e+00 3.60 -3.079666666e+00 -3.079666666e+00 3.62 -2.969485375e+00 -2.969485375e+00 3.64 -2.871720288e+00 -2.871720288e+00 3.66 -2.787044788e+00 -2.787044788e+00 3.68 -2.710195784e+00 -2.710195784e+00 3.70 -2.634536775e+00 -2.634536775e+00 3.72 -2.553301070e+00 -2.553301070e+00 3.74 -2.467752946e+00 -2.467752946e+00 3.76 -2.391152124e+00 -2.391152124e+00 3.78 -2.337496603e+00 -2.337496603e+00 3.80 -2.319770145e+00 -2.319770145e+00 3.82 -2.314304323e+00 -2.314304323e+00 3.84 -2.306012697e+00 -2.306012697e+00 3.86 -2.293020969e+00 -2.293020969e+00 3.88 -2.274184037e+00 -2.274184037e+00 3.90 -2.249214067e+00 -2.249214067e+00 3.92 -2.217664198e+00 -2.217664198e+00 3.94 -2.179070244e+00 -2.179070244e+00 3.96 -2.133996439e+00 -2.133996439e+00 3.98 -2.083378926e+00 -2.083378926e+00 4.00 -2.028600701e+00 -2.028600701e+00 4.02 -1.971788384e+00 -1.971788384e+00 4.04 -1.915338944e+00 -1.915338944e+00 4.06 -1.861729745e+00 -1.861729745e+00 4.08 -1.812826712e+00 -1.812826712e+00 4.10 -1.769167096e+00 -1.769167096e+00 4.12 -1.730246013e+00 -1.730246013e+00 4.14 -1.695218402e+00 -1.695218402e+00 4.16 -1.663351974e+00 -1.663351974e+00 4.18 -1.634031373e+00 -1.634031373e+00 4.20 -1.606732402e+00 -1.606732402e+00 4.22 -1.581275129e+00 -1.581275129e+00 4.24 -1.557577201e+00 -1.557577201e+00 4.26 -1.535435597e+00 -1.535435597e+00 4.28 -1.514651221e+00 -1.514651221e+00 4.30 -1.495007269e+00 -1.495007269e+00 4.32 -1.476260024e+00 -1.476260024e+00 4.34 -1.458143269e+00 -1.458143269e+00 4.36 -1.440691263e+00 -1.440691263e+00 4.38 -1.424076198e+00 -1.424076198e+00 4.40 -1.408489313e+00 -1.408489313e+00 4.42 -1.394146628e+00 -1.394146628e+00 4.44 -1.381306351e+00 -1.381306351e+00 4.46 -1.369940712e+00 -1.369940712e+00 4.48 -1.359296857e+00 -1.359296857e+00 4.50 -1.348714347e+00 -1.348714347e+00 4.52 -1.337512038e+00 -1.337512038e+00 4.54 -1.324954989e+00 -1.324954989e+00 4.56 -1.310242569e+00 -1.310242569e+00 4.58 -1.292624205e+00 -1.292624205e+00 4.60 -1.271555905e+00 -1.271555905e+00 4.62 -1.246933430e+00 -1.246933430e+00 4.64 -1.219007662e+00 -1.219007662e+00 4.66 -1.188136040e+00 -1.188136040e+00 4.68 -1.154847417e+00 -1.154847417e+00 4.70 -1.120101756e+00 -1.120101756e+00 4.72 -1.085118761e+00 -1.085118761e+00 4.74 -1.051056307e+00 -1.051056307e+00 4.76 -1.018690442e+00 -1.018690442e+00 4.78 -9.886216205e-01 -9.886216205e-01 4.80 -9.614005375e-01 -9.614005375e-01 4.82 -9.374114211e-01 -9.374114211e-01 4.84 -9.169445736e-01 -9.169445736e-01 4.86 -9.002803538e-01 -9.002803538e-01 4.88 -8.874016403e-01 -8.874016403e-01 4.90 -8.777413864e-01 -8.777413864e-01 4.92 -8.705930905e-01 -8.705930905e-01 4.94 -8.647158084e-01 -8.647158084e-01 4.96 -8.586694193e-01 -8.586694193e-01 4.98 -8.510060204e-01 -8.510060204e-01 5.00 -8.403136368e-01 -8.403136368e-01 5.02 -8.260310893e-01 -8.260310893e-01 5.04 -8.085001102e-01 -8.085001102e-01 5.06 -7.886880803e-01 -7.886880803e-01 5.08 -7.677219915e-01 -7.677219915e-01 5.10 -7.467610845e-01 -7.467610845e-01 5.12 -7.269799746e-01 -7.269799746e-01 5.14 -7.094150821e-01 -7.094150821e-01 5.16 -6.937739279e-01 -6.937739279e-01 5.18 -6.785852525e-01 -6.785852525e-01 5.20 -6.622815107e-01 -6.622815107e-01 5.22 -6.432940155e-01 -6.432940155e-01 5.24 -6.200570406e-01 -6.200570406e-01 5.26 -5.910784875e-01 -5.910784875e-01 5.28 -5.570497014e-01 -5.570497014e-01 5.30 -5.211983376e-01 -5.211983376e-01 5.32 -4.868908373e-01 -4.868908373e-01 5.34 -4.575094084e-01 -4.575094084e-01 5.36 -4.364562726e-01 -4.364562726e-01 5.38 -4.239547637e-01 -4.239547637e-01 5.40 -4.102230087e-01 -4.102230087e-01 5.42 -3.943632384e-01 -3.943632384e-01 5.44 -3.769520727e-01 -3.769520727e-01 5.46 -3.586014958e-01 -3.586014958e-01 5.48 -3.399230715e-01 -3.399230715e-01 5.50 -3.215287518e-01 -3.215287518e-01 5.52 -3.040349542e-01 -3.040349542e-01 5.54 -2.880393933e-01 -2.880393933e-01 5.56 -2.739329550e-01 -2.739329550e-01 5.58 -2.619841384e-01 -2.619841384e-01 5.60 -2.524636401e-01 -2.524636401e-01 5.62 -2.456435910e-01 -2.456435910e-01 5.64 -2.417950716e-01 -2.417950716e-01 5.66 -2.411860348e-01 -2.411860348e-01 5.68 -2.438949281e-01 -2.438949281e-01 5.70 -2.491584210e-01 -2.491584210e-01 5.72 -2.559673683e-01 -2.559673683e-01 5.74 -2.633198665e-01 -2.633198665e-01 5.76 -2.702283998e-01 -2.702283998e-01 5.78 -2.757229393e-01 -2.757229393e-01 5.80 -2.788506423e-01 -2.788506423e-01 5.82 -2.791411632e-01 -2.791411632e-01 5.84 -2.771055325e-01 -2.771055325e-01 5.86 -2.733747816e-01 -2.733747816e-01 5.88 -2.685784520e-01 -2.685784520e-01 5.90 -2.633515900e-01 -2.633515900e-01 5.92 -2.583374138e-01 -2.583374138e-01 5.94 -2.541377576e-01 -2.541377576e-01 5.96 -2.503608541e-01 -2.503608541e-01 5.98 -2.456552522e-01 -2.456552522e-01 6.00 -2.386216485e-01 -2.386216485e-01