# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = AlCo2Fe # 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 2025-07-01 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 2.214758204e+02 2.214758204e+02 1.10 2.044547076e+02 2.044547076e+02 1.12 1.884543444e+02 1.884543444e+02 1.14 1.736355375e+02 1.736355375e+02 1.16 1.602114752e+02 1.602114752e+02 1.18 1.477528929e+02 1.477528929e+02 1.20 1.367165614e+02 1.367165614e+02 1.22 1.260891489e+02 1.260891489e+02 1.24 1.161658901e+02 1.161658901e+02 1.26 1.072149898e+02 1.072149335e+02 1.28 9.888768360e+01 9.888768360e+01 1.30 9.120712189e+01 9.120712189e+01 1.32 8.393895224e+01 8.393895224e+01 1.34 7.753698580e+01 7.753698580e+01 1.36 7.128787806e+01 7.128787806e+01 1.38 6.553528894e+01 6.553528894e+01 1.40 6.018423786e+01 6.018423786e+01 1.42 5.523137870e+01 5.523137870e+01 1.44 5.094825983e+01 5.094825983e+01 1.46 4.690597301e+01 4.690597301e+01 1.48 4.291798240e+01 4.291798240e+01 1.50 3.922481717e+01 3.922481717e+01 1.52 3.591525871e+01 3.591525871e+01 1.54 3.294673297e+01 3.294673297e+01 1.56 2.997954345e+01 2.997954345e+01 1.58 2.727042274e+01 2.727042274e+01 1.60 2.472141948e+01 2.472141948e+01 1.62 2.236071781e+01 2.236071781e+01 1.64 2.017454828e+01 2.017454828e+01 1.66 1.825728459e+01 1.825728459e+01 1.68 1.647732689e+01 1.647732689e+01 1.70 1.472361151e+01 1.472361151e+01 1.72 1.310102269e+01 1.310102269e+01 1.74 1.171231032e+01 1.171231032e+01 1.76 1.031465303e+01 1.031465303e+01 1.78 9.022897805e+00 9.022897805e+00 1.80 7.829533783e+00 7.829533783e+00 1.82 6.870810063e+00 6.870810063e+00 1.84 5.841654701e+00 5.841654701e+00 1.86 5.103072960e+00 5.103072960e+00 1.88 4.210507848e+00 4.210507848e+00 1.90 3.388632183e+00 3.388632183e+00 1.92 2.632463367e+00 2.632463367e+00 1.94 1.994698884e+00 1.994698884e+00 1.96 1.351855373e+00 1.351855373e+00 1.98 7.621569803e-01 7.621569803e-01 2.00 2.218612515e-01 2.218612515e-01 2.02 -2.725122307e-01 -2.725122307e-01 2.04 -7.242012420e-01 -7.242012420e-01 2.06 -1.136218753e+00 -1.136218753e+00 2.08 -1.511369344e+00 -1.511369344e+00 2.10 -1.757781474e+00 -1.757780122e+00 2.12 -2.022232330e+00 -2.022232330e+00 2.14 -2.312167624e+00 -2.312167624e+00 2.16 -2.573877625e+00 -2.573877625e+00 2.18 -2.809386964e+00 -2.809386964e+00 2.20 -3.020582476e+00 -3.020582476e+00 2.22 -3.209222838e+00 -3.209222838e+00 2.24 -3.262249724e+00 -3.262249724e+00 2.26 -3.418489533e+00 -3.418489533e+00 2.28 -3.556222776e+00 -3.556222776e+00 2.30 -3.676815627e+00 -3.676815627e+00 2.32 -3.781542072e+00 -3.781542072e+00 2.34 -3.871590176e+00 -3.871590176e+00 2.36 -3.948067894e+00 -3.948067894e+00 2.38 -4.012008473e+00 -4.012008473e+00 2.40 -4.064375470e+00 -4.064375470e+00 2.42 -4.106067422e+00 -4.106067422e+00 2.44 -4.022675513e+00 -4.022675513e+00 2.46 -4.052881054e+00 -4.052881054e+00 2.48 -4.074284578e+00 -4.074284578e+00 2.50 -4.087595151e+00 -4.087595151e+00 2.52 -3.986661483e+00 -3.986661483e+00 2.54 -3.992478767e+00 -3.992478767e+00 2.56 -3.991629396e+00 -3.991629396e+00 2.58 -3.984675089e+00 -3.984675089e+00 2.60 -3.972139336e+00 -3.972139336e+00 2.62 -3.954509883e+00 -3.954509883e+00 2.64 -3.932241056e+00 -3.932241056e+00 2.66 -3.905755923e+00 -3.905755923e+00 2.68 -3.875448328e+00 -3.875448328e+00 2.70 -3.841684778e+00 -3.841684778e+00 2.72 -3.804806221e+00 -3.804806221e+00 2.74 -3.736167311e+00 -3.736167311e+00 2.76 -3.695627349e+00 -3.695627349e+00 2.78 -3.652765043e+00 -3.652765043e+00 2.80 -3.607839835e+00 -3.607839835e+00 2.82 -3.561092596e+00 -3.561092596e+00 2.84 -3.512746827e+00 -3.512746827e+00 2.86 -3.463009782e+00 -3.463009782e+00 2.88 -3.412073526e+00 -3.412073526e+00 2.90 -3.360115920e+00 -3.360115920e+00 2.92 -3.307301542e+00 -3.307301542e+00 2.94 -3.253782561e+00 -3.253782561e+00 2.96 -3.199699539e+00 -3.199699539e+00 2.98 -3.145182195e+00 -3.145182195e+00 3.00 -3.090350117e+00 -3.090350117e+00 3.02 -3.035313424e+00 -3.035313424e+00 3.04 -2.980173396e+00 -2.980173396e+00 3.06 -2.925023057e+00 -2.925023057e+00 3.08 -2.869947721e+00 -2.869947721e+00 3.10 -2.815025508e+00 -2.815025508e+00 3.12 -2.760327825e+00 -2.760327825e+00 3.14 -2.705919816e+00 -2.705919816e+00 3.16 -2.614418315e+00 -2.614418315e+00 3.18 -2.562640091e+00 -2.562640091e+00 3.20 -2.511219624e+00 -2.511219624e+00 3.22 -2.460205623e+00 -2.460205623e+00 3.24 -2.409642173e+00 -2.409642173e+00 3.26 -2.359569048e+00 -2.359569048e+00 3.28 -2.310022007e+00 -2.310022007e+00 3.30 -2.151007590e+00 -2.151007590e+00 3.32 -2.107939288e+00 -2.107939288e+00 3.34 -2.065225495e+00 -2.065225495e+00 3.36 -2.022900817e+00 -2.022900817e+00 3.38 -1.980996494e+00 -1.980996494e+00 3.40 -1.939540623e+00 -1.939540623e+00 3.42 -1.898558371e+00 -1.898558371e+00 3.44 -1.858072176e+00 -1.858072176e+00 3.46 -1.818101933e+00 -1.818101933e+00 3.48 -1.778665167e+00 -1.778665167e+00 3.50 -1.739777206e+00 -1.739777206e+00 3.52 -1.701451328e+00 -1.701451328e+00 3.54 -1.663698911e+00 -1.663698911e+00 3.56 -1.626529569e+00 -1.626529569e+00 3.58 -1.589951278e+00 -1.589951278e+00 3.60 -1.553970501e+00 -1.553970501e+00 3.62 -1.518592293e+00 -1.518592293e+00 3.64 -1.483820415e+00 -1.483820415e+00 3.66 -1.449657429e+00 -1.449657429e+00 3.68 -1.416104788e+00 -1.416104788e+00 3.70 -1.383162930e+00 -1.383162930e+00 3.72 -1.350831353e+00 -1.350831353e+00 3.74 -1.319108695e+00 -1.319108695e+00 3.76 -1.287992804e+00 -1.287992804e+00 3.78 -1.257480803e+00 -1.257480803e+00 3.80 -1.227569158e+00 -1.227569158e+00 3.82 -1.198253729e+00 -1.198253729e+00 3.84 -1.169529832e+00 -1.169529832e+00 3.86 -1.081655845e+00 -1.081655845e+00 3.88 -1.056510933e+00 -1.056510933e+00 3.90 -1.031843369e+00 -1.031843369e+00 3.92 -1.007650654e+00 -1.007650654e+00 3.94 -9.839298118e-01 -9.839298118e-01 3.96 -9.606774318e-01 -9.606774318e-01 3.98 -9.378897052e-01 -9.378897052e-01 4.00 -9.155624632e-01 -9.155624632e-01 4.02 -8.936912111e-01 -8.936912111e-01 4.04 -8.722711600e-01 -8.722711600e-01 4.06 -8.512972570e-01 -8.512972570e-01 4.08 -8.307642128e-01 -8.307642128e-01 4.10 -8.106665280e-01 -8.106665280e-01 4.12 -7.909985173e-01 -7.909985173e-01 4.14 -7.717543322e-01 -7.717543322e-01 4.16 -7.529279821e-01 -7.529279821e-01 4.18 -7.345133541e-01 -7.345133541e-01 4.20 -7.165042309e-01 -7.165042309e-01 4.22 -6.988943083e-01 -6.988943083e-01 4.24 -6.816772106e-01 -6.816772106e-01 4.26 -6.648465054e-01 -6.648465054e-01 4.28 -6.483957172e-01 -6.483957172e-01 4.30 -6.323183401e-01 -6.323183401e-01 4.32 -6.166078489e-01 -6.166078489e-01 4.34 -6.012577105e-01 -6.012577105e-01 4.36 -5.862613936e-01 -5.862613936e-01 4.38 -5.716123775e-01 -5.716123775e-01 4.40 -5.573041609e-01 -5.573041609e-01 4.42 -5.433302696e-01 -5.433302696e-01 4.44 -5.296842631e-01 -5.296842631e-01 4.46 -5.163597417e-01 -5.163597417e-01 4.48 -5.033503519e-01 -5.033503519e-01 4.50 -4.906497922e-01 -4.906497922e-01 4.52 -4.782518176e-01 -4.782518176e-01 4.54 -4.661502442e-01 -4.661502442e-01 4.56 -4.543389530e-01 -4.543389530e-01 4.58 -4.428118938e-01 -4.428118938e-01 4.60 -4.315630883e-01 -4.315630883e-01 4.62 -4.205866325e-01 -4.205866325e-01 4.64 -4.098766999e-01 -4.098766999e-01 4.66 -3.994275433e-01 -3.994275433e-01 4.68 -3.892334967e-01 -3.892334967e-01 4.70 -3.792889772e-01 -3.792889772e-01 4.72 -3.695884862e-01 -3.695884862e-01 4.74 -3.601266106e-01 -3.601266106e-01 4.76 -3.508980239e-01 -3.508980239e-01 4.78 -3.418974869e-01 -3.418974869e-01 4.80 -3.331198482e-01 -3.331198482e-01 4.82 -3.245600447e-01 -3.245600447e-01 4.84 -3.162131018e-01 -3.162131018e-01 4.86 -3.080741335e-01 -3.080741335e-01 4.88 -3.001383425e-01 -3.001383425e-01 4.90 -2.924010200e-01 -2.924010200e-01 4.92 -2.848575453e-01 -2.848575453e-01 4.94 -2.775033856e-01 -2.775033856e-01 4.96 -2.703340954e-01 -2.703340954e-01 4.98 -2.633453160e-01 -2.633453160e-01 5.00 -2.565327751e-01 -2.565327751e-01 5.02 -2.498922856e-01 -2.498922856e-01 5.04 -2.434197454e-01 -2.434197454e-01 5.06 -2.371111360e-01 -2.371111360e-01 5.08 -2.309625221e-01 -2.309625221e-01 5.10 -2.249700505e-01 -2.249700505e-01 5.12 -2.191299490e-01 -2.191299490e-01 5.14 -2.134385255e-01 -2.134385255e-01 5.16 -2.078921669e-01 -2.078921669e-01 5.18 -2.024873381e-01 -2.024873381e-01 5.20 -1.972205810e-01 -1.972205810e-01 5.22 -1.920885130e-01 -1.920885130e-01 5.24 -1.870878261e-01 -1.870878261e-01 5.26 -1.822152860e-01 -1.822152860e-01 5.28 -1.774677303e-01 -1.774677303e-01 5.30 -1.728420680e-01 -1.728420680e-01 5.32 -1.683352776e-01 -1.683352776e-01 5.34 -1.639444066e-01 -1.639444066e-01 5.36 -1.596665698e-01 -1.596665698e-01 5.38 -1.554989483e-01 -1.554989483e-01 5.40 -1.514387884e-01 -1.514387884e-01 5.42 -1.474834001e-01 -1.474834001e-01 5.44 -1.436301561e-01 -1.436301561e-01 5.46 -1.112352272e-01 -1.112352272e-01 5.48 -1.084169279e-01 -1.084169279e-01 5.50 -1.056688120e-01 -1.056688120e-01 5.52 -1.029891968e-01 -1.029891968e-01 5.54 -1.003764365e-01 -1.003764365e-01 5.56 -9.782892167e-02 -9.782892167e-02 5.58 -9.534507833e-02 -9.534507833e-02 5.60 -9.292336761e-02 -9.292336761e-02 5.62 -9.056228500e-02 -9.056228500e-02 5.64 -8.826035980e-02 -8.826035980e-02 5.66 -8.601615444e-02 -8.601615444e-02 5.68 -8.382826392e-02 -8.382826392e-02 5.70 -8.169531520e-02 -8.169531520e-02 5.72 -7.961596655e-02 -7.961596655e-02 5.74 -7.758890702e-02 -7.758890702e-02 5.76 -7.561285579e-02 -7.561285579e-02 5.78 -7.368656160e-02 -7.368656160e-02 5.80 -7.180880216e-02 -7.180880216e-02 5.82 -6.997838360e-02 -6.997838360e-02 5.84 -6.819413986e-02 -6.819413986e-02 5.86 -6.645493212e-02 -6.645493212e-02 5.88 -6.475964831e-02 -6.475964831e-02 5.90 -6.310720247e-02 -6.310720247e-02 5.92 -6.149653426e-02 -6.149653426e-02 5.94 -5.992660840e-02 -5.992660840e-02 5.96 -5.839641418e-02 -5.839641418e-02 5.98 -5.690496486e-02 -5.690496486e-02 6.00 -5.545129724e-02 -5.545129724e-02