# 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 = Cu2FeNi # 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 5.915435797e+02 5.915435797e+02 1.00 5.473356747e+02 5.473356747e+02 1.02 5.069333742e+02 5.069333742e+02 1.04 4.699829752e+02 4.699829752e+02 1.06 4.361595493e+02 4.361595493e+02 1.08 4.051523051e+02 4.051523051e+02 1.10 3.766603078e+02 3.766603078e+02 1.12 3.504109239e+02 3.504109239e+02 1.14 3.261932540e+02 3.261932540e+02 1.16 3.038121612e+02 3.038121612e+02 1.18 2.830876775e+02 2.830876775e+02 1.20 2.638507330e+02 2.638507330e+02 1.22 2.459351484e+02 2.459351484e+02 1.24 2.291632166e+02 2.291632166e+02 1.26 2.134014360e+02 2.134014360e+02 1.28 1.985810905e+02 1.985810905e+02 1.30 1.846410298e+02 1.846410298e+02 1.32 1.715015911e+02 1.715015911e+02 1.34 1.591081605e+02 1.591081605e+02 1.36 1.474256069e+02 1.474256069e+02 1.38 1.364198559e+02 1.364198559e+02 1.40 1.260610988e+02 1.260610988e+02 1.42 1.163227731e+02 1.163227731e+02 1.44 1.071796963e+02 1.071796963e+02 1.46 9.860963078e+01 9.860963078e+01 1.48 9.059112671e+01 9.059112671e+01 1.50 8.310553010e+01 8.310553010e+01 1.52 7.613486350e+01 7.613486350e+01 1.54 6.966076495e+01 6.966076495e+01 1.56 6.366251074e+01 6.366251074e+01 1.58 5.811664766e+01 5.811664766e+01 1.60 5.299850183e+01 5.299850183e+01 1.62 4.819578452e+01 4.819578452e+01 1.64 4.368567557e+01 4.368567557e+01 1.66 3.952426616e+01 3.952426616e+01 1.68 3.568837987e+01 3.568837987e+01 1.70 3.215158047e+01 3.215158047e+01 1.72 2.889208610e+01 2.889208610e+01 1.74 2.588862327e+01 2.588862327e+01 1.76 2.312137476e+01 2.312137476e+01 1.78 2.057431429e+01 2.057431429e+01 1.80 1.823223143e+01 1.823223143e+01 1.82 1.608002144e+01 1.608002144e+01 1.84 1.410229561e+01 1.410229561e+01 1.86 1.228382437e+01 1.228382437e+01 1.88 1.060863830e+01 1.060863830e+01 1.90 9.059995069e+00 9.059995069e+00 1.92 7.622712131e+00 7.622712131e+00 1.94 6.291269291e+00 6.291269291e+00 1.96 5.063847853e+00 5.063847853e+00 1.98 3.938566879e+00 3.938566879e+00 2.00 2.913303882e+00 2.913303882e+00 2.02 1.984848706e+00 1.984848706e+00 2.04 1.150167993e+00 1.150167993e+00 2.06 4.056521177e-01 4.056521177e-01 2.08 -2.540905298e-01 -2.540905298e-01 2.10 -8.347292165e-01 -8.347292165e-01 2.12 -1.342205330e+00 -1.342205330e+00 2.14 -1.782572124e+00 -1.782572124e+00 2.16 -2.161795500e+00 -2.161795500e+00 2.18 -2.485701343e+00 -2.485701343e+00 2.20 -2.759266557e+00 -2.759266557e+00 2.22 -2.986994459e+00 -2.986994459e+00 2.24 -3.173683808e+00 -3.173683808e+00 2.26 -3.324014254e+00 -3.324014254e+00 2.28 -3.442357221e+00 -3.442357221e+00 2.30 -3.533144094e+00 -3.533144094e+00 2.32 -3.601091765e+00 -3.601091765e+00 2.34 -3.651386481e+00 -3.651386481e+00 2.36 -3.688749200e+00 -3.688749200e+00 2.38 -3.715924574e+00 -3.715924574e+00 2.40 -3.733772203e+00 -3.733772203e+00 2.42 -3.743005952e+00 -3.743005952e+00 2.44 -3.744280929e+00 -3.744280929e+00 2.46 -3.738213158e+00 -3.738213158e+00 2.48 -3.725377821e+00 -3.725377821e+00 2.50 -3.706300096e+00 -3.706300096e+00 2.52 -3.681494931e+00 -3.681494931e+00 2.54 -3.652207328e+00 -3.652207328e+00 2.56 -3.619507834e+00 -3.619507834e+00 2.58 -3.584009734e+00 -3.584009734e+00 2.60 -3.546283590e+00 -3.546283590e+00 2.62 -3.506761591e+00 -3.506761591e+00 2.64 -3.465694463e+00 -3.465694463e+00 2.66 -3.423198509e+00 -3.423198509e+00 2.68 -3.379269713e+00 -3.379269713e+00 2.70 -3.333861602e+00 -3.333861602e+00 2.72 -3.286895705e+00 -3.286895705e+00 2.74 -3.238365061e+00 -3.238365061e+00 2.76 -3.188317355e+00 -3.188317355e+00 2.78 -3.136870785e+00 -3.136870785e+00 2.80 -3.084189217e+00 -3.084189217e+00 2.82 -3.030450816e+00 -3.030450816e+00 2.84 -2.975843318e+00 -2.975843318e+00 2.86 -2.920559171e+00 -2.920559171e+00 2.88 -2.864791232e+00 -2.864791232e+00 2.90 -2.808726198e+00 -2.808726198e+00 2.92 -2.752545914e+00 -2.752545914e+00 2.94 -2.696401358e+00 -2.696401358e+00 2.96 -2.640149888e+00 -2.640149888e+00 2.98 -2.583810696e+00 -2.583810696e+00 3.00 -2.527450516e+00 -2.527450516e+00 3.02 -2.471142528e+00 -2.471142528e+00 3.04 -2.415104119e+00 -2.415104119e+00 3.06 -2.359395255e+00 -2.359395255e+00 3.08 -2.303995219e+00 -2.303995219e+00 3.10 -2.248897811e+00 -2.248897811e+00 3.12 -2.194157637e+00 -2.194157637e+00 3.14 -2.139828261e+00 -2.139828261e+00 3.16 -2.085954454e+00 -2.085954454e+00 3.18 -2.032578675e+00 -2.032578675e+00 3.20 -1.979748780e+00 -1.979748780e+00 3.22 -1.927524647e+00 -1.927524647e+00 3.24 -1.875981876e+00 -1.875981876e+00 3.26 -1.825212429e+00 -1.825212429e+00 3.28 -1.775323545e+00 -1.775323545e+00 3.30 -1.726430517e+00 -1.726430517e+00 3.32 -1.678650854e+00 -1.678650854e+00 3.34 -1.632067056e+00 -1.632067056e+00 3.36 -1.586626972e+00 -1.586626972e+00 3.38 -1.542246765e+00 -1.542246765e+00 3.40 -1.498840218e+00 -1.498840218e+00 3.42 -1.456321389e+00 -1.456321389e+00 3.44 -1.414605610e+00 -1.414605610e+00 3.46 -1.373609024e+00 -1.373609024e+00 3.48 -1.333254811e+00 -1.333254811e+00 3.50 -1.293517331e+00 -1.293517331e+00 3.52 -1.254393495e+00 -1.254393495e+00 3.54 -1.215879057e+00 -1.215879057e+00 3.56 -1.177968020e+00 -1.177968020e+00 3.58 -1.140656094e+00 -1.140656094e+00 3.60 -1.103955990e+00 -1.103955990e+00 3.62 -1.067884599e+00 -1.067884599e+00 3.64 -1.032456670e+00 -1.032456670e+00 3.66 -9.976871389e-01 -9.976871389e-01 3.68 -9.635971014e-01 -9.635971014e-01 3.70 -9.302059897e-01 -9.302059897e-01 3.72 -8.975299178e-01 -8.975299178e-01 3.74 -8.655815979e-01 -8.655815979e-01 3.76 -8.343703300e-01 -8.343703300e-01 3.78 -8.039020357e-01 -8.039020357e-01 3.80 -7.741792956e-01 -7.741792956e-01 3.82 -7.452056771e-01 -7.452056771e-01 3.84 -7.170125065e-01 -7.170125065e-01 3.86 -6.896416848e-01 -6.896416848e-01 3.88 -6.631323787e-01 -6.631323787e-01 3.90 -6.375211174e-01 -6.375211174e-01 3.92 -6.128308268e-01 -6.128308268e-01 3.94 -5.890529985e-01 -5.890529985e-01 3.96 -5.661725145e-01 -5.661725145e-01 3.98 -5.441726977e-01 -5.441726977e-01 4.00 -5.230356324e-01 -5.230356324e-01 4.02 -5.027423602e-01 -5.027423602e-01 4.04 -4.832732785e-01 -4.832732785e-01 4.06 -4.646085584e-01 -4.646085584e-01 4.08 -4.467279450e-01 -4.467279450e-01 4.10 -4.296116480e-01 -4.296116480e-01 4.12 -4.132401565e-01 -4.132401565e-01 4.14 -3.975953457e-01 -3.975953457e-01 4.16 -3.826239340e-01 -3.826239340e-01 4.18 -3.681635749e-01 -3.681635749e-01 4.20 -3.541633947e-01 -3.541633947e-01 4.22 -3.405901706e-01 -3.405901706e-01 4.24 -3.274300351e-01 -3.274300351e-01 4.26 -3.146745330e-01 -3.146745330e-01 4.28 -3.023174612e-01 -3.023174612e-01 4.30 -2.903542463e-01 -2.903542463e-01 4.32 -2.787764901e-01 -2.787764901e-01 4.34 -2.675731727e-01 -2.675731727e-01 4.36 -2.567410418e-01 -2.567410418e-01 4.38 -2.462830012e-01 -2.462830012e-01 4.40 -2.361968869e-01 -2.361968869e-01 4.42 -2.264808518e-01 -2.264808518e-01 4.44 -2.171323564e-01 -2.171323564e-01 4.46 -2.081459356e-01 -2.081459356e-01 4.48 -1.995105992e-01 -1.995105992e-01 4.50 -1.912067174e-01 -1.912067174e-01 4.52 -1.832197799e-01 -1.832197799e-01 4.54 -1.755335098e-01 -1.755335098e-01 4.56 -1.681376284e-01 -1.681376284e-01 4.58 -1.610226424e-01 -1.610226424e-01 4.60 -1.541277988e-01 -1.541277988e-01 4.62 -1.474497838e-01 -1.474497838e-01 4.64 -1.410215187e-01 -1.410215187e-01 4.66 -1.348709563e-01 -1.348709563e-01 4.68 -1.290219944e-01 -1.290219944e-01 4.70 -1.234951641e-01 -1.234951641e-01 4.72 -1.183089377e-01 -1.183089377e-01 4.74 -1.135328958e-01 -1.135328958e-01 4.76 -1.091155173e-01 -1.091155173e-01 4.78 -1.049493395e-01 -1.049493395e-01 4.80 -1.009208750e-01 -1.009208750e-01 4.82 -9.682032784e-02 -9.682032784e-02 4.84 -9.256882730e-02 -9.256882730e-02 4.86 -8.812071010e-02 -8.812071010e-02 4.88 -8.344252284e-02 -8.344252284e-02 4.90 -7.851117472e-02 -7.851117472e-02 4.92 -7.329407386e-02 -7.329407386e-02 4.94 -6.781682014e-02 -6.781682014e-02 4.96 -6.220463140e-02 -6.220463140e-02 4.98 -5.657431521e-02 -5.657431521e-02 5.00 -5.103259818e-02 -5.103259818e-02 5.02 -4.567611225e-02 -4.567611225e-02 5.04 -4.058860506e-02 -4.058860506e-02 5.06 -3.583747823e-02 -3.583747823e-02 5.08 -3.147586406e-02 -3.147586406e-02 5.10 -2.754170104e-02 -2.754170104e-02 5.12 -2.405682628e-02 -2.405682628e-02 5.14 -2.102689216e-02 -2.102689216e-02 5.16 -1.844224572e-02 -1.844224572e-02 5.18 -1.627972158e-02 -1.627972158e-02 5.20 -1.450562846e-02 -1.450562846e-02 5.22 -1.308073503e-02 -1.308073503e-02 5.24 -1.196149103e-02 -1.196149103e-02 5.26 -1.110194459e-02 -1.110194459e-02 5.28 -1.045721492e-02 -1.045721492e-02 5.30 -9.987401765e-03 -9.987401765e-03 5.32 -9.656398529e-03 -9.656398529e-03 5.34 -9.432229831e-03 -9.432229831e-03 5.36 -9.287506476e-03 -9.287506476e-03 5.38 -9.199527110e-03 -9.199527110e-03 5.40 -9.150112309e-03 -9.150112309e-03 5.42 -9.125254797e-03 -9.125254797e-03 5.44 -9.114660242e-03 -9.114660242e-03 5.46 -9.111239579e-03 -9.111239579e-03 5.48 -9.110598503e-03 -9.110598503e-03 5.50 -9.110554851e-03 -9.110554851e-03 5.52 -9.110554138e-03 -9.110554138e-03 5.54 -9.110554138e-03 -9.110554138e-03 5.56 -9.110554138e-03 -9.110554138e-03 5.58 -9.110554138e-03 -9.110554138e-03 5.60 -9.110554138e-03 -9.110554138e-03 5.62 -9.110554138e-03 -9.110554138e-03 5.64 -9.110554138e-03 -9.110554138e-03 5.66 -9.110554138e-03 -9.110554138e-03 5.68 -9.110554138e-03 -9.110554138e-03 5.70 -9.110554138e-03 -9.110554138e-03 5.72 -9.110554138e-03 -9.110554138e-03 5.74 -9.110554138e-03 -9.110554138e-03 5.76 -9.110554138e-03 -9.110554138e-03 5.78 -9.110554138e-03 -9.110554138e-03 5.80 -9.110554138e-03 -9.110554138e-03 5.82 -9.110554138e-03 -9.110554138e-03 5.84 -9.110554138e-03 -9.110554138e-03 5.86 -9.110554138e-03 -9.110554138e-03 5.88 -9.110554138e-03 -9.110554138e-03 5.90 -9.110554138e-03 -9.110554138e-03 5.92 -9.110554138e-03 -9.110554138e-03 5.94 -9.110554138e-03 -9.110554138e-03 5.96 -9.110554138e-03 -9.110554138e-03 5.98 -9.110554138e-03 -9.110554138e-03 6.00 -9.110554138e-03 -9.110554138e-03