# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1 # composition = CuFeNi2 # 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 2024-01-04 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 4.572902882e+02 4.572902882e+02 1.00 4.235780816e+02 4.235780816e+02 1.02 3.925794420e+02 3.925794420e+02 1.04 3.640287586e+02 3.640287586e+02 1.06 3.376917883e+02 3.376917883e+02 1.08 3.133519132e+02 3.133519132e+02 1.10 2.907941377e+02 2.907941377e+02 1.12 2.698198562e+02 2.698198562e+02 1.14 2.502632498e+02 2.502632498e+02 1.16 2.319461554e+02 2.319461554e+02 1.18 2.147559793e+02 2.147559793e+02 1.20 1.986364153e+02 1.986364153e+02 1.22 1.835553131e+02 1.835553131e+02 1.24 1.694695120e+02 1.694695120e+02 1.26 1.563045787e+02 1.563045787e+02 1.28 1.439978135e+02 1.439978135e+02 1.30 1.324783872e+02 1.324783872e+02 1.32 1.216843600e+02 1.216843600e+02 1.34 1.115835866e+02 1.115835866e+02 1.36 1.021487272e+02 1.021487272e+02 1.38 9.334344129e+01 9.334344129e+01 1.40 8.511610096e+01 8.511610096e+01 1.42 7.744075051e+01 7.744075051e+01 1.44 7.029430180e+01 7.029430180e+01 1.46 6.365535762e+01 6.365535762e+01 1.48 5.750422973e+01 5.750422973e+01 1.50 5.182201214e+01 5.182201214e+01 1.52 4.658651987e+01 4.658651987e+01 1.54 4.177884704e+01 4.177884704e+01 1.56 3.737981414e+01 3.737981414e+01 1.58 3.336966881e+01 3.336966881e+01 1.60 2.972929724e+01 2.972929724e+01 1.62 2.643857523e+01 2.643857523e+01 1.64 2.347672394e+01 2.347672394e+01 1.66 2.082343985e+01 2.082343985e+01 1.68 1.845853176e+01 1.845853176e+01 1.70 1.609540047e+01 1.609540047e+01 1.72 1.390337348e+01 1.390337348e+01 1.74 1.193576088e+01 1.193576088e+01 1.76 1.017568097e+01 1.017568097e+01 1.78 8.599582084e+00 8.599582084e+00 1.80 7.190250143e+00 7.190250143e+00 1.82 5.932205505e+00 5.932205505e+00 1.84 4.810604820e+00 4.810604820e+00 1.86 3.811100699e+00 3.811100699e+00 1.88 2.921651456e+00 2.921651456e+00 1.90 2.128050269e+00 2.128050269e+00 1.92 1.415707449e+00 1.415707449e+00 1.94 7.767261967e-01 7.767261967e-01 1.96 2.050680261e-01 2.050680261e-01 1.98 -3.050600043e-01 -3.050600043e-01 2.00 -7.594772668e-01 -7.594772668e-01 2.02 -1.164415991e+00 -1.164415991e+00 2.04 -1.526266182e+00 -1.526266182e+00 2.06 -1.849660872e+00 -1.849660872e+00 2.08 -2.138150492e+00 -2.138150492e+00 2.10 -2.394252367e+00 -2.394252367e+00 2.12 -2.620696208e+00 -2.620696208e+00 2.14 -2.821089959e+00 -2.821089959e+00 2.16 -2.999159082e+00 -2.999159082e+00 2.18 -3.158689862e+00 -3.158689862e+00 2.20 -3.303532818e+00 -3.303532818e+00 2.22 -3.436766695e+00 -3.436766695e+00 2.24 -3.558335388e+00 -3.558335388e+00 2.26 -3.667446668e+00 -3.667446668e+00 2.28 -3.763215222e+00 -3.763215222e+00 2.30 -3.845020209e+00 -3.845020209e+00 2.32 -3.913104667e+00 -3.913104667e+00 2.34 -3.967788869e+00 -3.967788869e+00 2.36 -4.009005601e+00 -4.009005601e+00 2.38 -4.037367953e+00 -4.037367953e+00 2.40 -4.054227728e+00 -4.054227728e+00 2.42 -4.060641604e+00 -4.060641604e+00 2.44 -4.057814614e+00 -4.057814614e+00 2.46 -4.047058379e+00 -4.047058379e+00 2.48 -4.029672868e+00 -4.029672868e+00 2.50 -4.006945306e+00 -4.006945306e+00 2.52 -3.979965822e+00 -3.979965822e+00 2.54 -3.948970978e+00 -3.948970978e+00 2.56 -3.913916472e+00 -3.913916472e+00 2.58 -3.874693660e+00 -3.874693660e+00 2.60 -3.831121988e+00 -3.831121988e+00 2.62 -3.782941345e+00 -3.782941345e+00 2.64 -3.730595888e+00 -3.730595888e+00 2.66 -3.675409408e+00 -3.675409408e+00 2.68 -3.617555194e+00 -3.617555194e+00 2.70 -3.557248070e+00 -3.557248070e+00 2.72 -3.494738435e+00 -3.494738435e+00 2.74 -3.430302018e+00 -3.430302018e+00 2.76 -3.364262641e+00 -3.364262641e+00 2.78 -3.296967559e+00 -3.296967559e+00 2.80 -3.228783445e+00 -3.228783445e+00 2.82 -3.160092999e+00 -3.160092999e+00 2.84 -3.091291296e+00 -3.091291296e+00 2.86 -3.022782166e+00 -3.022782166e+00 2.88 -2.954974168e+00 -2.954974168e+00 2.90 -2.888190944e+00 -2.888190944e+00 2.92 -2.822607176e+00 -2.822607176e+00 2.94 -2.758337480e+00 -2.758337480e+00 2.96 -2.694981816e+00 -2.694981816e+00 2.98 -2.632454109e+00 -2.632454109e+00 3.00 -2.570784101e+00 -2.570784101e+00 3.02 -2.509983174e+00 -2.509983174e+00 3.04 -2.450022847e+00 -2.450022847e+00 3.06 -2.390857169e+00 -2.390857169e+00 3.08 -2.332429304e+00 -2.332429304e+00 3.10 -2.274672334e+00 -2.274672334e+00 3.12 -2.217526492e+00 -2.217526492e+00 3.14 -2.160926964e+00 -2.160926964e+00 3.16 -2.104858815e+00 -2.104858815e+00 3.18 -2.049626457e+00 -2.049626457e+00 3.20 -1.995259939e+00 -1.995259939e+00 3.22 -1.941738345e+00 -1.941738345e+00 3.24 -1.889046943e+00 -1.889046943e+00 3.26 -1.837177561e+00 -1.837177561e+00 3.28 -1.786128511e+00 -1.786128511e+00 3.30 -1.735899245e+00 -1.735899245e+00 3.32 -1.686505231e+00 -1.686505231e+00 3.34 -1.637994502e+00 -1.637994502e+00 3.36 -1.590416462e+00 -1.590416462e+00 3.38 -1.543817312e+00 -1.543817312e+00 3.40 -1.498239694e+00 -1.498239694e+00 3.42 -1.453723870e+00 -1.453723870e+00 3.44 -1.410308359e+00 -1.410308359e+00 3.46 -1.368029693e+00 -1.368029693e+00 3.48 -1.326922201e+00 -1.326922201e+00 3.50 -1.287017809e+00 -1.287017809e+00 3.52 -1.248336400e+00 -1.248336400e+00 3.54 -1.210857134e+00 -1.210857134e+00 3.56 -1.174546691e+00 -1.174546691e+00 3.58 -1.139368846e+00 -1.139368846e+00 3.60 -1.105284473e+00 -1.105284473e+00 3.62 -1.072252397e+00 -1.072252397e+00 3.64 -1.040229476e+00 -1.040229476e+00 3.66 -1.009174044e+00 -1.009174044e+00 3.68 -9.790541561e-01 -9.790541561e-01 3.70 -9.498388468e-01 -9.498388468e-01 3.72 -9.214962443e-01 -9.214962443e-01 3.74 -8.939913092e-01 -8.939913092e-01 3.76 -8.672837210e-01 -8.672837210e-01 3.78 -8.413319966e-01 -8.413319966e-01 3.80 -8.160940304e-01 -8.160940304e-01 3.82 -7.915271009e-01 -7.915271009e-01 3.84 -7.675879701e-01 -7.675879701e-01 3.86 -7.442329594e-01 -7.442329594e-01 3.88 -7.214180877e-01 -7.214180877e-01 3.90 -6.990991608e-01 -6.990991608e-01 3.92 -6.772319149e-01 -6.772319149e-01 3.94 -6.557723647e-01 -6.557723647e-01 3.96 -6.346772049e-01 -6.346772049e-01 3.98 -6.139036869e-01 -6.139036869e-01 4.00 -5.934099160e-01 -5.934099160e-01 4.02 -5.731655995e-01 -5.731655995e-01 4.04 -5.531894221e-01 -5.531894221e-01 4.06 -5.335113612e-01 -5.335113612e-01 4.08 -5.141626004e-01 -5.141626004e-01 4.10 -4.951750163e-01 -4.951750163e-01 4.12 -4.765792493e-01 -4.765792493e-01 4.14 -4.584118717e-01 -4.584118717e-01 4.16 -4.406369133e-01 -4.406369133e-01 4.18 -4.230006293e-01 -4.230006293e-01 4.20 -4.054796540e-01 -4.054796540e-01 4.22 -3.880780965e-01 -3.880780965e-01 4.24 -3.708146151e-01 -3.708146151e-01 4.26 -3.537135684e-01 -3.537135684e-01 4.28 -3.368005298e-01 -3.368005298e-01 4.30 -3.201029107e-01 -3.201029107e-01 4.32 -3.036515231e-01 -3.036515231e-01 4.34 -2.874748351e-01 -2.874748351e-01 4.36 -2.716019386e-01 -2.716019386e-01 4.38 -2.560541689e-01 -2.560541689e-01 4.40 -2.408605383e-01 -2.408605383e-01 4.42 -2.260382775e-01 -2.260382775e-01 4.44 -2.116203460e-01 -2.116203460e-01 4.46 -1.975905274e-01 -1.975905274e-01 4.48 -1.838757609e-01 -1.838757609e-01 4.50 -1.708737652e-01 -1.708737652e-01 4.52 -1.589463094e-01 -1.589463094e-01 4.54 -1.479528129e-01 -1.479528129e-01 4.56 -1.368026467e-01 -1.368026467e-01 4.58 -1.248479751e-01 -1.248479751e-01 4.60 -1.118492356e-01 -1.118492356e-01 4.62 -9.811048999e-02 -9.811048999e-02 4.64 -8.464110590e-02 -8.464110590e-02 4.66 -7.215896530e-02 -7.215896530e-02 4.68 -6.108191279e-02 -6.108191279e-02 4.70 -5.161674382e-02 -5.161674382e-02 4.72 -4.383073617e-02 -4.383073617e-02 4.74 -3.770311872e-02 -3.770311872e-02 4.76 -3.318352856e-02 -3.318352856e-02 4.78 -3.023038572e-02 -3.023038572e-02 4.80 -2.862956106e-02 -2.862956106e-02 4.82 -2.732981303e-02 -2.732981303e-02 4.84 -2.617024343e-02 -2.617024343e-02 4.86 -2.514017367e-02 -2.514017367e-02 4.88 -2.422878477e-02 -2.422878477e-02 4.90 -2.342381339e-02 -2.342381339e-02 4.92 -2.271259188e-02 -2.271259188e-02 4.94 -2.208282687e-02 -2.208282687e-02 4.96 -2.152265912e-02 -2.152265912e-02 4.98 -2.102068589e-02 -2.102068589e-02 5.00 -2.056593661e-02 -2.056593661e-02 5.02 -2.014978341e-02 -2.014978341e-02 5.04 -1.977177152e-02 -1.977177152e-02 5.06 -1.943342935e-02 -1.943342935e-02 5.08 -1.913600870e-02 -1.913600870e-02 5.10 -1.888018499e-02 -1.888018499e-02 5.12 -1.866575837e-02 -1.866575837e-02 5.14 -1.849139587e-02 -1.849139587e-02 5.16 -1.835445438e-02 -1.835445438e-02 5.18 -1.825091468e-02 -1.825091468e-02 5.20 -1.817593255e-02 -1.817593255e-02 5.22 -1.812611267e-02 -1.812611267e-02 5.24 -1.809803670e-02 -1.809803670e-02 5.26 -1.808773752e-02 -1.808773752e-02 5.28 -1.809103162e-02 -1.809103162e-02 5.30 -1.810382453e-02 -1.810382453e-02 5.32 -1.812236137e-02 -1.812236137e-02 5.34 -1.814340824e-02 -1.814340824e-02 5.36 -1.816436246e-02 -1.816436246e-02 5.38 -1.818329906e-02 -1.818329906e-02 5.40 -1.819896612e-02 -1.819896612e-02 5.42 -1.821074366e-02 -1.821074366e-02 5.44 -1.821857980e-02 -1.821857980e-02 5.46 -1.822291588e-02 -1.822291588e-02 5.48 -1.822460909e-02 -1.822460909e-02 5.50 -1.822485839e-02 -1.822485839e-02 5.52 -1.822485828e-02 -1.822485828e-02 5.54 -1.822485828e-02 -1.822485828e-02 5.56 -1.822485828e-02 -1.822485828e-02 5.58 -1.822485828e-02 -1.822485828e-02 5.60 -1.822485828e-02 -1.822485828e-02 5.62 -1.822485828e-02 -1.822485828e-02 5.64 -1.822485828e-02 -1.822485828e-02 5.66 -1.822485828e-02 -1.822485828e-02 5.68 -1.822485828e-02 -1.822485828e-02 5.70 -1.822485828e-02 -1.822485828e-02 5.72 -1.822485828e-02 -1.822485828e-02 5.74 -1.822485828e-02 -1.822485828e-02 5.76 -1.822485828e-02 -1.822485828e-02 5.78 -1.822485828e-02 -1.822485828e-02 5.80 -1.822485828e-02 -1.822485828e-02 5.82 -1.822485828e-02 -1.822485828e-02 5.84 -1.822485828e-02 -1.822485828e-02 5.86 -1.822485828e-02 -1.822485828e-02 5.88 -1.822485828e-02 -1.822485828e-02 5.90 -1.822485828e-02 -1.822485828e-02 5.92 -1.822485828e-02 -1.822485828e-02 5.94 -1.822485828e-02 -1.822485828e-02 5.96 -1.822485828e-02 -1.822485828e-02 5.98 -1.822485828e-02 -1.822485828e-02 6.00 -1.822485828e-02 -1.822485828e-02