# 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 = 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 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 5.567024252e+02 5.567024252e+02 1.02 5.154232517e+02 5.154232517e+02 1.04 4.776589547e+02 4.776589547e+02 1.06 4.430793546e+02 4.430793546e+02 1.08 4.113693951e+02 4.113693951e+02 1.10 3.822245355e+02 3.822245355e+02 1.12 3.553689091e+02 3.553689091e+02 1.14 3.305886457e+02 3.305886457e+02 1.16 3.076858392e+02 3.076858392e+02 1.18 2.864772764e+02 2.864772764e+02 1.20 2.667913739e+02 2.667913739e+02 1.22 2.484596171e+02 2.484596171e+02 1.24 2.313022968e+02 2.313022968e+02 1.26 2.151840367e+02 2.151840367e+02 1.28 2.000335085e+02 2.000335085e+02 1.30 1.857878391e+02 1.857878391e+02 1.32 1.723873586e+02 1.723873586e+02 1.34 1.597827693e+02 1.597827693e+02 1.36 1.479308333e+02 1.479308333e+02 1.38 1.367905390e+02 1.367905390e+02 1.40 1.263259363e+02 1.263259363e+02 1.42 1.165050343e+02 1.165050343e+02 1.44 1.072985809e+02 1.072985809e+02 1.46 9.868102991e+01 9.868102991e+01 1.48 9.062821762e+01 9.062821762e+01 1.50 8.311931170e+01 8.311931170e+01 1.52 7.613454599e+01 7.613454599e+01 1.54 6.965400029e+01 6.965400029e+01 1.56 6.365559880e+01 6.365559880e+01 1.58 5.811216707e+01 5.811216707e+01 1.60 5.299590970e+01 5.299590970e+01 1.62 4.819455628e+01 4.819455628e+01 1.64 4.368530242e+01 4.368530242e+01 1.66 3.952425234e+01 3.952425234e+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 2.588862326e+01 2.588862326e+01 1.76 2.312137473e+01 2.312137473e+01 1.78 2.057431429e+01 2.057431429e+01 1.80 1.823223142e+01 1.823223142e+01 1.82 1.608002145e+01 1.608002145e+01 1.84 1.410229562e+01 1.410229562e+01 1.86 1.228382437e+01 1.228382437e+01 1.88 1.060863830e+01 1.060863830e+01 1.90 9.059995054e+00 9.059995054e+00 1.92 7.622712130e+00 7.622712130e+00 1.94 6.291269292e+00 6.291269292e+00 1.96 5.063847850e+00 5.063847850e+00 1.98 3.938566874e+00 3.938566874e+00 2.00 2.913303883e+00 2.913303883e+00 2.02 1.984848705e+00 1.984848705e+00 2.04 1.150167992e+00 1.150167992e+00 2.06 4.056521175e-01 4.056521175e-01 2.08 -2.540905283e-01 -2.540905283e-01 2.10 -8.347292163e-01 -8.347292163e-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 -2.485701342e+00 -2.485701342e+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 -3.533144092e+00 -3.533144092e+00 2.32 -3.601091764e+00 -3.601091764e+00 2.34 -3.651386481e+00 -3.651386481e+00 2.36 -3.688749199e+00 -3.688749199e+00 2.38 -3.715924575e+00 -3.715924575e+00 2.40 -3.733772203e+00 -3.733772203e+00 2.42 -3.743005953e+00 -3.743005953e+00 2.44 -3.744280928e+00 -3.744280928e+00 2.46 -3.738213159e+00 -3.738213159e+00 2.48 -3.725377821e+00 -3.725377821e+00 2.50 -3.706300096e+00 -3.706300096e+00 2.52 -3.681494936e+00 -3.681494936e+00 2.54 -3.652207329e+00 -3.652207329e+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 -3.506761592e+00 -3.506761592e+00 2.64 -3.465694464e+00 -3.465694464e+00 2.66 -3.423198509e+00 -3.423198509e+00 2.68 -3.379269712e+00 -3.379269712e+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 -3.188317354e+00 -3.188317354e+00 2.78 -3.136870786e+00 -3.136870786e+00 2.80 -3.084189217e+00 -3.084189217e+00 2.82 -3.030450816e+00 -3.030450816e+00 2.84 -2.975843317e+00 -2.975843317e+00 2.86 -2.920559172e+00 -2.920559172e+00 2.88 -2.864791235e+00 -2.864791235e+00 2.90 -2.808726198e+00 -2.808726198e+00 2.92 -2.752545911e+00 -2.752545911e+00 2.94 -2.696401348e+00 -2.696401348e+00 2.96 -2.640149888e+00 -2.640149888e+00 2.98 -2.583810702e+00 -2.583810702e+00 3.00 -2.527450517e+00 -2.527450517e+00 3.02 -2.471142527e+00 -2.471142527e+00 3.04 -2.415104119e+00 -2.415104119e+00 3.06 -2.359395252e+00 -2.359395252e+00 3.08 -2.303995217e+00 -2.303995217e+00 3.10 -2.248897810e+00 -2.248897810e+00 3.12 -2.194157637e+00 -2.194157637e+00 3.14 -2.139828262e+00 -2.139828262e+00 3.16 -2.085954460e+00 -2.085954460e+00 3.18 -2.032578676e+00 -2.032578676e+00 3.20 -1.979748780e+00 -1.979748780e+00 3.22 -1.927524646e+00 -1.927524646e+00 3.24 -1.875981873e+00 -1.875981873e+00 3.26 -1.825212429e+00 -1.825212429e+00 3.28 -1.775323539e+00 -1.775323539e+00 3.30 -1.726430507e+00 -1.726430507e+00 3.32 -1.678650846e+00 -1.678650846e+00 3.34 -1.632067056e+00 -1.632067056e+00 3.36 -1.586626972e+00 -1.586626972e+00 3.38 -1.542246767e+00 -1.542246767e+00 3.40 -1.498840219e+00 -1.498840219e+00 3.42 -1.456321391e+00 -1.456321391e+00 3.44 -1.414605631e+00 -1.414605631e+00 3.46 -1.373609042e+00 -1.373609042e+00 3.48 -1.333254823e+00 -1.333254823e+00 3.50 -1.293517347e+00 -1.293517347e+00 3.52 -1.254393515e+00 -1.254393515e+00 3.54 -1.215879057e+00 -1.215879057e+00 3.56 -1.177968022e+00 -1.177968022e+00 3.58 -1.140656091e+00 -1.140656091e+00 3.60 -1.103955979e+00 -1.103955979e+00 3.62 -1.067884584e+00 -1.067884584e+00 3.64 -1.032456651e+00 -1.032456651e+00 3.66 -9.976871154e-01 -9.976871154e-01 3.68 -9.635970645e-01 -9.635970645e-01 3.70 -9.302059285e-01 -9.302059285e-01 3.72 -8.975298193e-01 -8.975298193e-01 3.74 -8.655814767e-01 -8.655814767e-01 3.76 -8.343702358e-01 -8.343702358e-01 3.78 -8.039020170e-01 -8.039020170e-01 3.80 -7.741792623e-01 -7.741792623e-01 3.82 -7.452054801e-01 -7.452054801e-01 3.84 -7.170123479e-01 -7.170123479e-01 3.86 -6.896416838e-01 -6.896416838e-01 3.88 -6.631322415e-01 -6.631322415e-01 3.90 -6.375209863e-01 -6.375209863e-01 3.92 -6.128308162e-01 -6.128308162e-01 3.94 -5.890528447e-01 -5.890528447e-01 3.96 -5.661724962e-01 -5.661724962e-01 3.98 -5.441726264e-01 -5.441726264e-01 4.00 -5.230356268e-01 -5.230356268e-01 4.02 -5.027423236e-01 -5.027423236e-01 4.04 -4.832733310e-01 -4.832733310e-01 4.06 -4.646086060e-01 -4.646086060e-01 4.08 -4.467279962e-01 -4.467279962e-01 4.10 -4.296119131e-01 -4.296119131e-01 4.12 -4.132401668e-01 -4.132401668e-01 4.14 -3.975957896e-01 -3.975957896e-01 4.16 -3.826242718e-01 -3.826242718e-01 4.18 -3.681636840e-01 -3.681636840e-01 4.20 -3.541644743e-01 -3.541644743e-01 4.22 -3.405906150e-01 -3.405906150e-01 4.24 -3.274303044e-01 -3.274303044e-01 4.26 -3.146764782e-01 -3.146764782e-01 4.28 -3.023187081e-01 -3.023187081e-01 4.30 -2.903542538e-01 -2.903542538e-01 4.32 -2.787788377e-01 -2.787788377e-01 4.34 -2.675770433e-01 -2.675770433e-01 4.36 -2.567424101e-01 -2.567424101e-01 4.38 -2.462832969e-01 -2.462832969e-01 4.40 -2.362028369e-01 -2.362028369e-01 4.42 -2.264911485e-01 -2.264911485e-01 4.44 -2.171382358e-01 -2.171382358e-01 4.46 -2.081462053e-01 -2.081462053e-01 4.48 -1.995155226e-01 -1.995155226e-01 4.50 -1.912262647e-01 -1.912262647e-01 4.52 -1.832486526e-01 -1.832486526e-01 4.54 -1.755599651e-01 -1.755599651e-01 4.56 -1.681561370e-01 -1.681561370e-01 4.58 -1.610368778e-01 -1.610368778e-01 4.60 -1.541947051e-01 -1.541947051e-01 4.62 -1.476100687e-01 -1.476100687e-01 4.64 -1.412694210e-01 -1.412694210e-01 4.66 -1.351648368e-01 -1.351648368e-01 4.68 -1.292967944e-01 -1.292967944e-01 4.70 -1.236694117e-01 -1.236694117e-01 4.72 -1.182878332e-01 -1.182878332e-01 4.74 -1.131508841e-01 -1.131508841e-01 4.76 -1.082603399e-01 -1.082603399e-01 4.78 -1.036233875e-01 -1.036233875e-01 4.80 -9.922055468e-02 -9.922055468e-02 4.82 -9.488194641e-02 -9.488194641e-02 4.84 -9.055248358e-02 -9.055248358e-02 4.86 -8.629820395e-02 -8.629820395e-02 4.88 -8.217810683e-02 -8.217810683e-02 4.90 -7.824118600e-02 -7.824118600e-02 4.92 -7.457152951e-02 -7.457152951e-02 4.94 -7.112199920e-02 -7.112199920e-02 4.96 -6.764474150e-02 -6.764474150e-02 4.98 -6.394654255e-02 -6.394654255e-02 5.00 -5.989477222e-02 -5.989477222e-02 5.02 -5.541807919e-02 -5.541807919e-02 5.04 -5.048605536e-02 -5.048605536e-02 5.06 -4.522218291e-02 -4.522218291e-02 5.08 -3.993040033e-02 -3.993040033e-02 5.10 -3.485430109e-02 -3.485430109e-02 5.12 -3.016888399e-02 -3.016888399e-02 5.14 -2.598522663e-02 -2.598522663e-02 5.16 -2.235829142e-02 -2.235829142e-02 5.18 -1.929712323e-02 -1.929712323e-02 5.20 -1.677666628e-02 -1.677666628e-02 5.22 -1.475093250e-02 -1.475093250e-02 5.24 -1.316096654e-02 -1.316096654e-02 5.26 -1.194171562e-02 -1.194171562e-02 5.28 -1.102872402e-02 -1.102872402e-02 5.30 -1.036386252e-02 -1.036386252e-02 5.32 -9.894982260e-03 -9.894982260e-03 5.34 -9.576497670e-03 -9.576497670e-03 5.36 -9.369774102e-03 -9.369774102e-03 5.38 -9.243024595e-03 -9.243024595e-03 5.40 -9.170894378e-03 -9.170894378e-03 5.42 -9.133858473e-03 -9.133858473e-03 5.44 -9.117522596e-03 -9.117522596e-03 5.46 -9.111893360e-03 -9.111893360e-03 5.48 -9.110665115e-03 -9.110665115e-03 5.50 -9.110555112e-03 -9.110555112e-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