# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Bonny-G-Pasianot-R-C-Castin-N-Malerba-L--Fe-Cu-Ni # implementation = 2009--Bonny-G--Fe-Cu-Ni--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 2022-05-24 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 4.352255764e+02 4.352255764e+02 1.02 4.032535016e+02 4.032535016e+02 1.04 3.738026332e+02 3.738026332e+02 1.06 3.466317980e+02 3.466317980e+02 1.08 3.215192180e+02 3.215192180e+02 1.10 2.982434827e+02 2.982434827e+02 1.12 2.765995660e+02 2.765995660e+02 1.14 2.564179110e+02 2.564179110e+02 1.16 2.375172715e+02 2.375172715e+02 1.18 2.197816257e+02 2.197816257e+02 1.20 2.031512434e+02 2.031512434e+02 1.22 1.875920105e+02 1.875920105e+02 1.24 1.730589427e+02 1.730589427e+02 1.26 1.594758350e+02 1.594758350e+02 1.28 1.467779530e+02 1.467779530e+02 1.30 1.348920651e+02 1.348920651e+02 1.32 1.237546873e+02 1.237546873e+02 1.34 1.133323502e+02 1.133323502e+02 1.36 1.035964372e+02 1.035964372e+02 1.38 9.451068157e+01 9.451068157e+01 1.40 8.604281537e+01 8.604281537e+01 1.42 7.816781857e+01 7.816781857e+01 1.44 7.085600619e+01 7.085600619e+01 1.46 6.408097448e+01 6.408097448e+01 1.48 5.781885251e+01 5.781885251e+01 1.50 5.204727862e+01 5.204727862e+01 1.52 4.674118925e+01 4.674118925e+01 1.54 4.187911838e+01 4.187911838e+01 1.56 3.743959875e+01 3.743959875e+01 1.58 3.340084250e+01 3.340084250e+01 1.60 2.974192092e+01 2.974192092e+01 1.62 2.644106466e+01 2.644106466e+01 1.64 2.347612118e+01 2.347612118e+01 1.66 2.082325852e+01 2.082325852e+01 1.68 1.845852770e+01 1.845852770e+01 1.70 1.609540045e+01 1.609540045e+01 1.72 1.390337348e+01 1.390337348e+01 1.74 1.193576085e+01 1.193576085e+01 1.76 1.017568100e+01 1.017568100e+01 1.78 8.599582086e+00 8.599582086e+00 1.80 7.190250168e+00 7.190250168e+00 1.82 5.932205522e+00 5.932205522e+00 1.84 4.810604819e+00 4.810604819e+00 1.86 3.811100644e+00 3.811100644e+00 1.88 2.921651458e+00 2.921651458e+00 1.90 2.128050248e+00 2.128050248e+00 1.92 1.415707449e+00 1.415707449e+00 1.94 7.767261825e-01 7.767261825e-01 1.96 2.050680269e-01 2.050680269e-01 1.98 -3.050600143e-01 -3.050600143e-01 2.00 -7.594772682e-01 -7.594772682e-01 2.02 -1.164415990e+00 -1.164415990e+00 2.04 -1.526266189e+00 -1.526266189e+00 2.06 -1.849660891e+00 -1.849660891e+00 2.08 -2.138150500e+00 -2.138150500e+00 2.10 -2.394252347e+00 -2.394252347e+00 2.12 -2.620696203e+00 -2.620696203e+00 2.14 -2.821089959e+00 -2.821089959e+00 2.16 -2.999159084e+00 -2.999159084e+00 2.18 -3.158689862e+00 -3.158689862e+00 2.20 -3.303532814e+00 -3.303532814e+00 2.22 -3.436766694e+00 -3.436766694e+00 2.24 -3.558335391e+00 -3.558335391e+00 2.26 -3.667446668e+00 -3.667446668e+00 2.28 -3.763215224e+00 -3.763215224e+00 2.30 -3.845020208e+00 -3.845020208e+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 -4.060641603e+00 -4.060641603e+00 2.44 -4.057814614e+00 -4.057814614e+00 2.46 -4.047058380e+00 -4.047058380e+00 2.48 -4.029672869e+00 -4.029672869e+00 2.50 -4.006945304e+00 -4.006945304e+00 2.52 -3.979965818e+00 -3.979965818e+00 2.54 -3.948970980e+00 -3.948970980e+00 2.56 -3.913916474e+00 -3.913916474e+00 2.58 -3.874693655e+00 -3.874693655e+00 2.60 -3.831121988e+00 -3.831121988e+00 2.62 -3.782941320e+00 -3.782941320e+00 2.64 -3.730595888e+00 -3.730595888e+00 2.66 -3.675409408e+00 -3.675409408e+00 2.68 -3.617555192e+00 -3.617555192e+00 2.70 -3.557248071e+00 -3.557248071e+00 2.72 -3.494738435e+00 -3.494738435e+00 2.74 -3.430302020e+00 -3.430302020e+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 -3.091291298e+00 -3.091291298e+00 2.86 -3.022782164e+00 -3.022782164e+00 2.88 -2.954974167e+00 -2.954974167e+00 2.90 -2.888190945e+00 -2.888190945e+00 2.92 -2.822607181e+00 -2.822607181e+00 2.94 -2.758337479e+00 -2.758337479e+00 2.96 -2.694981813e+00 -2.694981813e+00 2.98 -2.632454109e+00 -2.632454109e+00 3.00 -2.570784102e+00 -2.570784102e+00 3.02 -2.509983183e+00 -2.509983183e+00 3.04 -2.450022847e+00 -2.450022847e+00 3.06 -2.390857162e+00 -2.390857162e+00 3.08 -2.332429284e+00 -2.332429284e+00 3.10 -2.274672332e+00 -2.274672332e+00 3.12 -2.217526495e+00 -2.217526495e+00 3.14 -2.160926997e+00 -2.160926997e+00 3.16 -2.104858823e+00 -2.104858823e+00 3.18 -2.049626455e+00 -2.049626455e+00 3.20 -1.995259933e+00 -1.995259933e+00 3.22 -1.941738345e+00 -1.941738345e+00 3.24 -1.889046940e+00 -1.889046940e+00 3.26 -1.837177563e+00 -1.837177563e+00 3.28 -1.786128514e+00 -1.786128514e+00 3.30 -1.735899253e+00 -1.735899253e+00 3.32 -1.686505240e+00 -1.686505240e+00 3.34 -1.637994502e+00 -1.637994502e+00 3.36 -1.590416454e+00 -1.590416454e+00 3.38 -1.543817312e+00 -1.543817312e+00 3.40 -1.498239685e+00 -1.498239685e+00 3.42 -1.453723861e+00 -1.453723861e+00 3.44 -1.410308359e+00 -1.410308359e+00 3.46 -1.368029693e+00 -1.368029693e+00 3.48 -1.326922223e+00 -1.326922223e+00 3.50 -1.287017813e+00 -1.287017813e+00 3.52 -1.248336463e+00 -1.248336463e+00 3.54 -1.210857162e+00 -1.210857162e+00 3.56 -1.174546692e+00 -1.174546692e+00 3.58 -1.139368846e+00 -1.139368846e+00 3.60 -1.105284473e+00 -1.105284473e+00 3.62 -1.072252396e+00 -1.072252396e+00 3.64 -1.040229425e+00 -1.040229425e+00 3.66 -1.009173950e+00 -1.009173950e+00 3.68 -9.790541463e-01 -9.790541463e-01 3.70 -9.498386187e-01 -9.498386187e-01 3.72 -9.214961605e-01 -9.214961605e-01 3.74 -8.939912093e-01 -8.939912093e-01 3.76 -8.672833375e-01 -8.672833375e-01 3.78 -8.413316117e-01 -8.413316117e-01 3.80 -8.160937655e-01 -8.160937655e-01 3.82 -7.915269076e-01 -7.915269076e-01 3.84 -7.675878239e-01 -7.675878239e-01 3.86 -7.442329337e-01 -7.442329337e-01 3.88 -7.214182978e-01 -7.214182978e-01 3.90 -6.990993768e-01 -6.990993768e-01 3.92 -6.772319357e-01 -6.772319357e-01 3.94 -6.557735619e-01 -6.557735619e-01 3.96 -6.346779738e-01 -6.346779738e-01 3.98 -6.139048088e-01 -6.139048088e-01 4.00 -5.934122735e-01 -5.934122735e-01 4.02 -5.731678931e-01 -5.731678931e-01 4.04 -5.531913432e-01 -5.531913432e-01 4.06 -5.335191305e-01 -5.335191305e-01 4.08 -5.141633101e-01 -5.141633101e-01 4.10 -4.951808963e-01 -4.951808963e-01 4.12 -4.765979181e-01 -4.765979181e-01 4.14 -4.584252442e-01 -4.584252442e-01 4.16 -4.406381721e-01 -4.406381721e-01 4.18 -4.230031891e-01 -4.230031891e-01 4.20 -4.055025175e-01 -4.055025175e-01 4.22 -3.881212409e-01 -3.881212409e-01 4.24 -3.708597811e-01 -3.708597811e-01 4.26 -3.537401667e-01 -3.537401667e-01 4.28 -3.368068278e-01 -3.368068278e-01 4.30 -3.201031514e-01 -3.201031514e-01 4.32 -3.036643788e-01 -3.036643788e-01 4.34 -2.875074751e-01 -2.875074751e-01 4.36 -2.716491639e-01 -2.716491639e-01 4.38 -2.561057944e-01 -2.561057944e-01 4.40 -2.409023232e-01 -2.409023232e-01 4.42 -2.260704436e-01 -2.260704436e-01 4.44 -2.116410295e-01 -2.116410295e-01 4.46 -1.976440825e-01 -1.976440825e-01 4.48 -1.841072213e-01 -1.841072213e-01 4.50 -1.710537387e-01 -1.710537387e-01 4.52 -1.585040361e-01 -1.585040361e-01 4.54 -1.464405984e-01 -1.464405984e-01 4.56 -1.347766275e-01 -1.347766275e-01 4.58 -1.235452120e-01 -1.235452120e-01 4.60 -1.133720288e-01 -1.133720288e-01 4.62 -1.040115125e-01 -1.040115125e-01 4.64 -9.375490539e-02 -9.375490539e-02 4.66 -8.185749965e-02 -8.185749965e-02 4.68 -6.909565056e-02 -6.909565056e-02 4.70 -5.721745373e-02 -5.721745373e-02 4.72 -4.718431375e-02 -4.718431375e-02 4.74 -3.935809916e-02 -3.935809916e-02 4.76 -3.376969296e-02 -3.376969296e-02 4.78 -3.032907367e-02 -3.032907367e-02 4.80 -2.869733013e-02 -2.869733013e-02 4.82 -2.742424689e-02 -2.742424689e-02 4.84 -2.629158880e-02 -2.629158880e-02 4.86 -2.528735883e-02 -2.528735883e-02 4.88 -2.439964309e-02 -2.439964309e-02 4.90 -2.361528041e-02 -2.361528041e-02 4.92 -2.291901404e-02 -2.291901404e-02 4.94 -2.229521993e-02 -2.229521993e-02 4.96 -2.173356445e-02 -2.173356445e-02 4.98 -2.122416805e-02 -2.122416805e-02 5.00 -2.075744874e-02 -2.075744874e-02 5.02 -2.032604258e-02 -2.032604258e-02 5.04 -1.993063575e-02 -1.993063575e-02 5.06 -1.957376974e-02 -1.957376974e-02 5.08 -1.925757229e-02 -1.925757229e-02 5.10 -1.898344771e-02 -1.898344771e-02 5.12 -1.875177056e-02 -1.875177056e-02 5.14 -1.856162628e-02 -1.856162628e-02 5.16 -1.841064003e-02 -1.841064003e-02 5.18 -1.829492448e-02 -1.829492448e-02 5.20 -1.820965087e-02 -1.820965087e-02 5.22 -1.815134700e-02 -1.815134700e-02 5.24 -1.811645069e-02 -1.811645069e-02 5.26 -1.810080818e-02 -1.810080818e-02 5.28 -1.810002782e-02 -1.810002782e-02 5.30 -1.810980288e-02 -1.810980288e-02 5.32 -1.812617513e-02 -1.812617513e-02 5.34 -1.814572514e-02 -1.814572514e-02 5.36 -1.816568781e-02 -1.816568781e-02 5.38 -1.818400122e-02 -1.818400122e-02 5.40 -1.819930199e-02 -1.819930199e-02 5.42 -1.821088280e-02 -1.821088280e-02 5.44 -1.821862610e-02 -1.821862610e-02 5.46 -1.822292646e-02 -1.822292646e-02 5.48 -1.822461017e-02 -1.822461017e-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