# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Pb # implementation = 2026--Park-J-H--Fe-Cu-Pb--LAMMPS--ipr1 # composition = Cu2FePb # 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 2026-06-16 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 6.607612385e+02 6.607612385e+02 0.86 6.251097676e+02 6.251097676e+02 0.88 5.913274199e+02 5.913274199e+02 0.90 5.593179382e+02 5.593179382e+02 0.92 5.289898338e+02 5.289898338e+02 0.94 5.002559795e+02 5.002559795e+02 0.96 4.730330648e+02 4.730330648e+02 0.98 4.472408506e+02 4.472408506e+02 1.00 4.228011999e+02 4.228011999e+02 1.02 3.996369374e+02 3.996369374e+02 1.04 3.776707055e+02 3.776707055e+02 1.06 3.568240804e+02 3.568240804e+02 1.08 3.370172752e+02 3.370172752e+02 1.10 3.181697156e+02 3.181697156e+02 1.12 3.002016463e+02 3.002016463e+02 1.14 2.830367102e+02 2.830367102e+02 1.16 2.666051891e+02 2.666051891e+02 1.18 2.508473713e+02 2.508473713e+02 1.20 2.357163834e+02 2.357163834e+02 1.22 2.211798495e+02 2.211798495e+02 1.24 2.072199422e+02 2.072199422e+02 1.26 1.938317215e+02 1.938317215e+02 1.28 1.810200321e+02 1.810200321e+02 1.30 1.687955281e+02 1.687955281e+02 1.32 1.571705282e+02 1.571705282e+02 1.34 1.461553509e+02 1.461553509e+02 1.36 1.357555790e+02 1.357555790e+02 1.38 1.259704444e+02 1.259704444e+02 1.40 1.167922851e+02 1.167922851e+02 1.42 1.082068659e+02 1.082068659e+02 1.44 1.001942844e+02 1.001942844e+02 1.46 9.273018566e+01 9.273018566e+01 1.48 8.578706241e+01 8.578706241e+01 1.50 7.933548191e+01 7.933548191e+01 1.52 7.334514846e+01 7.334514846e+01 1.54 6.778576223e+01 6.778576223e+01 1.56 6.262767110e+01 6.262767110e+01 1.58 5.784233473e+01 5.784233473e+01 1.60 5.340262966e+01 5.340262966e+01 1.62 4.928302773e+01 4.928302773e+01 1.64 4.545967781e+01 4.545967781e+01 1.66 4.191041723e+01 4.191041723e+01 1.68 3.861473431e+01 3.861473431e+01 1.70 3.555369872e+01 3.555369872e+01 1.72 3.270987257e+01 3.270987257e+01 1.74 3.006721111e+01 3.006721111e+01 1.76 2.761095994e+01 2.761095994e+01 1.78 2.532755287e+01 2.532755287e+01 1.80 2.320451348e+01 2.320451348e+01 1.82 2.123036201e+01 2.123036201e+01 1.84 1.939452860e+01 1.939452860e+01 1.86 1.768727329e+01 1.768727329e+01 1.88 1.609961265e+01 1.609961265e+01 1.90 1.462325307e+01 1.462325307e+01 1.92 1.325053012e+01 1.325053012e+01 1.94 1.197435373e+01 1.197435373e+01 1.96 1.078815854e+01 1.078815854e+01 1.98 9.685859218e+00 9.685859218e+00 2.00 8.661809937e+00 8.661809937e+00 2.02 7.710767938e+00 7.710767938e+00 2.04 6.827860509e+00 6.827860509e+00 2.06 6.008555168e+00 6.008555168e+00 2.08 5.248632653e+00 5.248632653e+00 2.10 4.544162445e+00 4.544162445e+00 2.12 3.891480553e+00 3.891480553e+00 2.14 3.287169307e+00 3.287169307e+00 2.16 2.728038981e+00 2.728038981e+00 2.18 2.211111016e+00 2.211111016e+00 2.20 1.733602711e+00 1.733602711e+00 2.22 1.292913205e+00 1.292913205e+00 2.24 8.866106501e-01 8.866106501e-01 2.26 5.124204201e-01 5.124204201e-01 2.28 1.682142888e-01 1.682142888e-01 2.30 -1.479995445e-01 -1.479995445e-01 2.32 -4.380856402e-01 -4.380856402e-01 2.34 -7.037898054e-01 -7.037898054e-01 2.36 -9.467469376e-01 -9.467469376e-01 2.38 -1.168488283e+00 -1.168488283e+00 2.40 -1.370448170e+00 -1.370448170e+00 2.42 -1.553970251e+00 -1.553970251e+00 2.44 -1.720313305e+00 -1.720313305e+00 2.46 -1.870656632e+00 -1.870656632e+00 2.48 -2.006105079e+00 -2.006105079e+00 2.50 -2.127693717e+00 -2.127693717e+00 2.52 -2.236392208e+00 -2.236392208e+00 2.54 -2.333108881e+00 -2.333108881e+00 2.56 -2.418694538e+00 -2.418694538e+00 2.58 -2.493946013e+00 -2.493946013e+00 2.60 -2.559609499e+00 -2.559609499e+00 2.62 -2.616383670e+00 -2.616383670e+00 2.64 -2.664922595e+00 -2.664922595e+00 2.66 -2.705838477e+00 -2.705838477e+00 2.68 -2.739704217e+00 -2.739704217e+00 2.70 -2.767055818e+00 -2.767055818e+00 2.72 -2.788394645e+00 -2.788394645e+00 2.74 -2.804189544e+00 -2.804189544e+00 2.76 -2.814878830e+00 -2.814878830e+00 2.78 -2.820872159e+00 -2.820872159e+00 2.80 -2.822552284e+00 -2.822552284e+00 2.82 -2.820276703e+00 -2.820276703e+00 2.84 -2.814379213e+00 -2.814379213e+00 2.86 -2.805171368e+00 -2.805171368e+00 2.88 -2.792943851e+00 -2.792943851e+00 2.90 -2.777967760e+00 -2.777967760e+00 2.92 -2.760495827e+00 -2.760495827e+00 2.94 -2.740763554e+00 -2.740763554e+00 2.96 -2.718990286e+00 -2.718990286e+00 2.98 -2.695380224e+00 -2.695380224e+00 3.00 -2.670123370e+00 -2.670123370e+00 3.02 -2.643396423e+00 -2.643396423e+00 3.04 -2.615363616e+00 -2.615363616e+00 3.06 -2.586177509e+00 -2.586177509e+00 3.08 -2.555979731e+00 -2.555979731e+00 3.10 -2.524901674e+00 -2.524901674e+00 3.12 -2.493065160e+00 -2.493065160e+00 3.14 -2.460583046e+00 -2.460583046e+00 3.16 -2.427559816e+00 -2.427559816e+00 3.18 -2.394092119e+00 -2.394092119e+00 3.20 -2.360269286e+00 -2.360269286e+00 3.22 -2.326173810e+00 -2.326173810e+00 3.24 -2.291881799e+00 -2.291881799e+00 3.26 -2.257463400e+00 -2.257463400e+00 3.28 -2.222983200e+00 -2.222983200e+00 3.30 -2.188500601e+00 -2.188500601e+00 3.32 -2.154070166e+00 -2.154070166e+00 3.34 -2.119741956e+00 -2.119741956e+00 3.36 -2.085561834e+00 -2.085561834e+00 3.38 -2.051571743e+00 -2.051571743e+00 3.40 -2.017743556e+00 -2.017743556e+00 3.42 -1.983492938e+00 -1.983492938e+00 3.44 -1.947715393e+00 -1.947715393e+00 3.46 -1.911249361e+00 -1.911249361e+00 3.48 -1.878563258e+00 -1.878563258e+00 3.50 -1.846482514e+00 -1.846482514e+00 3.52 -1.814802148e+00 -1.814802148e+00 3.54 -1.783541137e+00 -1.783541137e+00 3.56 -1.752716429e+00 -1.752716429e+00 3.58 -1.722343081e+00 -1.722343081e+00 3.60 -1.692434392e+00 -1.692434392e+00 3.62 -1.663002019e+00 -1.663002019e+00 3.64 -1.634056090e+00 -1.634056090e+00 3.66 -1.605605294e+00 -1.605605294e+00 3.68 -1.577656979e+00 -1.577656979e+00 3.70 -1.550217219e+00 -1.550217219e+00 3.72 -1.523290894e+00 -1.523290894e+00 3.74 -1.496881738e+00 -1.496881738e+00 3.76 -1.470992397e+00 -1.470992397e+00 3.78 -1.445624464e+00 -1.445624464e+00 3.80 -1.420778510e+00 -1.420778510e+00 3.82 -1.396454109e+00 -1.396454109e+00 3.84 -1.372649846e+00 -1.372649846e+00 3.86 -1.349363325e+00 -1.349363325e+00 3.88 -1.326591159e+00 -1.326591159e+00 3.90 -1.304328962e+00 -1.304328962e+00 3.92 -1.280186644e+00 -1.280186644e+00 3.94 -1.223563913e+00 -1.223563913e+00 3.96 -1.048942958e+00 -1.048942958e+00 3.98 -6.126467500e-01 -6.126467500e-01 4.00 -3.617687782e-22 -3.620687298e-22 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 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5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00