# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Deluigi-O-R-Pasianot-R-C-Valencia-F-J-et-al--Fe-Ni-Cr-Co-Cu # implementation = 2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CoCr2Cu # 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 nan nan 1.02 -1.796672738e+02 -1.796672738e+02 1.04 -1.749084889e+02 -1.749084889e+02 1.06 -1.699425017e+02 -1.699425017e+02 1.08 -1.652628657e+02 -1.652628657e+02 1.10 -1.606372638e+02 -1.606372638e+02 1.12 -1.554929023e+02 -1.554929023e+02 1.14 -1.497984995e+02 -1.497984995e+02 1.16 -1.437734323e+02 -1.437734323e+02 1.18 -1.380227484e+02 -1.380227484e+02 1.20 -1.333379755e+02 -1.333379755e+02 1.22 -1.297932400e+02 -1.297932400e+02 1.24 -1.267676831e+02 -1.267676831e+02 1.26 -1.238005546e+02 -1.238005546e+02 1.28 -1.208913758e+02 -1.208913758e+02 1.30 -1.180042430e+02 -1.180042430e+02 1.32 -1.148965169e+02 -1.148965169e+02 1.34 -1.113839463e+02 -1.113839463e+02 1.36 -1.076474697e+02 -1.076474697e+02 1.38 -1.040314923e+02 -1.040314923e+02 1.40 -1.006354338e+02 -1.006354338e+02 1.42 -9.720803130e+01 -9.720803130e+01 1.44 -9.345631327e+01 -9.345631327e+01 1.46 -8.925916058e+01 -8.925916058e+01 1.48 -8.468515390e+01 -8.468515390e+01 1.50 -7.988030309e+01 -7.988030309e+01 1.52 -7.497903559e+01 -7.497903559e+01 1.54 -7.003131581e+01 -7.003131581e+01 1.56 -6.493997659e+01 -6.493997659e+01 1.58 -5.949290780e+01 -5.949290780e+01 1.60 -5.353083674e+01 -5.353083674e+01 1.62 -4.713174925e+01 -4.713174925e+01 1.64 -4.059176911e+01 -4.059176911e+01 1.66 -3.423105962e+01 -3.423105962e+01 1.68 -2.823249790e+01 -2.823249790e+01 1.70 -2.265422208e+01 -2.265422208e+01 1.72 -1.754350905e+01 -1.754350905e+01 1.74 -1.295670533e+01 -1.295670533e+01 1.76 -8.921747291e+00 -8.921747291e+00 1.78 -5.712686709e+00 -5.712686709e+00 1.80 -3.545893823e+00 -3.545893823e+00 1.82 -2.105165635e+00 -2.105165635e+00 1.84 -1.171047807e+00 -1.171047807e+00 1.86 -6.134184705e-01 -6.134184705e-01 1.88 -3.377098478e-01 -3.377098478e-01 1.90 -2.613815032e-01 -2.613815032e-01 1.92 -3.152121299e-01 -3.152121299e-01 1.94 -4.526494193e-01 -4.526494193e-01 1.96 -6.472158590e-01 -6.472158590e-01 1.98 -8.824274413e-01 -8.824274413e-01 2.00 -1.146688176e+00 -1.146688176e+00 2.02 -1.430822124e+00 -1.430822124e+00 2.04 -1.725671923e+00 -1.725671923e+00 2.06 -2.023167524e+00 -2.023167524e+00 2.08 -2.315086246e+00 -2.315086246e+00 2.10 -2.592329459e+00 -2.592329459e+00 2.12 -2.846458681e+00 -2.846458681e+00 2.14 -3.071297896e+00 -3.071297896e+00 2.16 -3.263477655e+00 -3.263477655e+00 2.18 -3.421877027e+00 -3.421877027e+00 2.20 -3.546691272e+00 -3.546691272e+00 2.22 -3.639680207e+00 -3.639680207e+00 2.24 -3.705039620e+00 -3.705039620e+00 2.26 -3.750767373e+00 -3.750767373e+00 2.28 -3.785306687e+00 -3.785306687e+00 2.30 -3.815580217e+00 -3.815580217e+00 2.32 -3.844992247e+00 -3.844992247e+00 2.34 -3.873490033e+00 -3.873490033e+00 2.36 -3.900854504e+00 -3.900854504e+00 2.38 -3.926535837e+00 -3.926535837e+00 2.40 -3.949268482e+00 -3.949268482e+00 2.42 -3.967193143e+00 -3.967193143e+00 2.44 -3.978610171e+00 -3.978610171e+00 2.46 -3.983619092e+00 -3.983619092e+00 2.48 -3.982895295e+00 -3.982895295e+00 2.50 -3.977447930e+00 -3.977447930e+00 2.52 -3.967468058e+00 -3.967468058e+00 2.54 -3.952695355e+00 -3.952695355e+00 2.56 -3.933005864e+00 -3.933005864e+00 2.58 -3.908405830e+00 -3.908405830e+00 2.60 -3.879227894e+00 -3.879227894e+00 2.62 -3.845940017e+00 -3.845940017e+00 2.64 -3.809078277e+00 -3.809078277e+00 2.66 -3.769171134e+00 -3.769171134e+00 2.68 -3.726540799e+00 -3.726540799e+00 2.70 -3.681371345e+00 -3.681371345e+00 2.72 -3.633786898e+00 -3.633786898e+00 2.74 -3.583874508e+00 -3.583874508e+00 2.76 -3.531740203e+00 -3.531740203e+00 2.78 -3.477571441e+00 -3.477571441e+00 2.80 -3.421615055e+00 -3.421615055e+00 2.82 -3.364069778e+00 -3.364069778e+00 2.84 -3.305027348e+00 -3.305027348e+00 2.86 -3.244529316e+00 -3.244529316e+00 2.88 -3.182556462e+00 -3.182556462e+00 2.90 -3.118839373e+00 -3.118839373e+00 2.92 -3.053208927e+00 -3.053208927e+00 2.94 -2.985314817e+00 -2.985314817e+00 2.96 -2.914853126e+00 -2.914853126e+00 2.98 -2.841689925e+00 -2.841689925e+00 3.00 -2.765863048e+00 -2.765863048e+00 3.02 -2.687589224e+00 -2.687589224e+00 3.04 -2.607223475e+00 -2.607223475e+00 3.06 -2.525321949e+00 -2.525321949e+00 3.08 -2.442536655e+00 -2.442536655e+00 3.10 -2.359471767e+00 -2.359471767e+00 3.12 -2.277018027e+00 -2.277018027e+00 3.14 -2.196313207e+00 -2.196313207e+00 3.16 -2.118358527e+00 -2.118358527e+00 3.18 -2.043948762e+00 -2.043948762e+00 3.20 -1.973507167e+00 -1.973507167e+00 3.22 -1.907076020e+00 -1.907076020e+00 3.24 -1.844445615e+00 -1.844445615e+00 3.26 -1.785186019e+00 -1.785186019e+00 3.28 -1.728693177e+00 -1.728693177e+00 3.30 -1.674261753e+00 -1.674261753e+00 3.32 -1.621179064e+00 -1.621179064e+00 3.34 -1.568824132e+00 -1.568824132e+00 3.36 -1.516779709e+00 -1.516779709e+00 3.38 -1.464876602e+00 -1.464876602e+00 3.40 -1.413171711e+00 -1.413171711e+00 3.42 -1.361925095e+00 -1.361925095e+00 3.44 -1.311480579e+00 -1.311480579e+00 3.46 -1.262176566e+00 -1.262176566e+00 3.48 -1.214283540e+00 -1.214283540e+00 3.50 -1.167968456e+00 -1.167968456e+00 3.52 -1.123285566e+00 -1.123285566e+00 3.54 -1.080188353e+00 -1.080188353e+00 3.56 -1.038555246e+00 -1.038555246e+00 3.58 -9.982419048e-01 -9.982419048e-01 3.60 -9.591249647e-01 -9.591249647e-01 3.62 -9.210827493e-01 -9.210827493e-01 3.64 -8.839966996e-01 -8.839966996e-01 3.66 -8.477768167e-01 -8.477768167e-01 3.68 -8.123436321e-01 -8.123436321e-01 3.70 -7.776171284e-01 -7.776171284e-01 3.72 -7.435164946e-01 -7.435164946e-01 3.74 -7.099601854e-01 -7.099601854e-01 3.76 -6.768660833e-01 -6.768660833e-01 3.78 -6.441511977e-01 -6.441511977e-01 3.80 -6.117319310e-01 -6.117319310e-01 3.82 -5.795238211e-01 -5.795238211e-01 3.84 -5.474418711e-01 -5.474418711e-01 3.86 -5.154086142e-01 -5.154086142e-01 3.88 -4.834188157e-01 -4.834188157e-01 3.90 -4.515080548e-01 -4.515080548e-01 3.92 -4.197176022e-01 -4.197176022e-01 3.94 -3.880885588e-01 -3.880885588e-01 3.96 -3.566573732e-01 -3.566573732e-01 3.98 -3.254630008e-01 -3.254630008e-01 4.00 -2.952973119e-01 -2.952973119e-01 4.02 -2.704917307e-01 -2.704917307e-01 4.04 -2.556007849e-01 -2.556007849e-01 4.06 -2.541066807e-01 -2.541066807e-01 4.08 -2.684417755e-01 -2.684417755e-01 4.10 -3.000212918e-01 -3.000212918e-01 4.12 -3.492868572e-01 -3.492868572e-01 4.14 -4.157497344e-01 -4.157497344e-01 4.16 -4.980510028e-01 -4.980510028e-01 4.18 -5.940540171e-01 -5.940540171e-01 4.20 -7.009445378e-01 -7.009445378e-01 4.22 -8.153641323e-01 -8.153641323e-01 4.24 -9.335748199e-01 -9.335748199e-01 4.26 -1.051733765e+00 -1.051733765e+00 4.28 -1.165757113e+00 -1.165757113e+00 4.30 -1.271415930e+00 -1.271415930e+00 4.32 -1.364501212e+00 -1.364501212e+00 4.34 -1.441006661e+00 -1.441006661e+00 4.36 -1.497320408e+00 -1.497320408e+00 4.38 -1.530416719e+00 -1.530416719e+00 4.40 -1.538054798e+00 -1.538054798e+00 4.42 -1.518958935e+00 -1.518958935e+00 4.44 -1.472977157e+00 -1.472977157e+00 4.46 -1.401191720e+00 -1.401191720e+00 4.48 -1.305966062e+00 -1.305966062e+00 4.50 -1.190900875e+00 -1.190900875e+00 4.52 -1.060739713e+00 -1.060739713e+00 4.54 -9.215187379e-01 -9.215187379e-01 4.56 -7.798476803e-01 -7.798476803e-01 4.58 -6.419071335e-01 -6.419071335e-01 4.60 -5.128302025e-01 -5.128302025e-01 4.62 -3.964125313e-01 -3.964125313e-01 4.64 -2.949018319e-01 -2.949018319e-01 4.66 -2.089867964e-01 -2.089867964e-01 4.68 -1.379968052e-01 -1.379968052e-01 4.70 -8.026343347e-02 -8.026343347e-02 4.72 -3.354935193e-02 -3.354935193e-02 4.74 4.544961677e-03 4.544961677e-03 4.76 3.627234950e-02 3.627234950e-02 4.78 6.356210239e-02 6.356210239e-02 4.80 8.794044071e-02 8.794044071e-02 4.82 1.105143906e-01 1.105143906e-01 4.84 1.320211300e-01 1.320211300e-01 4.86 1.528853521e-01 1.528853521e-01 4.88 1.732719951e-01 1.732719951e-01 4.90 1.931323593e-01 1.931323593e-01 4.92 2.122442346e-01 2.122442346e-01 4.94 2.302526262e-01 2.302526262e-01 4.96 2.467109840e-01 2.467109840e-01 4.98 2.611257085e-01 2.611257085e-01 5.00 2.730009247e-01 2.730009247e-01 5.02 2.818802563e-01 2.818802563e-01 5.04 2.873868226e-01 2.873868226e-01 5.06 2.892679483e-01 2.892679483e-01 5.08 2.873948308e-01 2.873948308e-01 5.10 2.817601299e-01 2.817601299e-01 5.12 2.724886041e-01 2.724886041e-01 5.14 2.598422051e-01 2.598422051e-01 5.16 2.442179593e-01 2.442179593e-01 5.18 2.261371014e-01 2.261371014e-01 5.20 2.062232287e-01 2.062232287e-01 5.22 1.851824185e-01 1.851824185e-01 5.24 1.638000879e-01 1.638000879e-01 5.26 1.428188298e-01 1.428188298e-01 5.28 1.228639997e-01 1.228639997e-01 5.30 1.044083308e-01 1.044083308e-01 5.32 8.775320002e-02 8.775320002e-02 5.34 7.303071692e-02 7.303071692e-02 5.36 6.022629870e-02 6.022629870e-02 5.38 4.921760322e-02 4.921760322e-02 5.40 3.982098985e-02 3.982098985e-02 5.42 3.183546465e-02 3.183546465e-02 5.44 2.507553776e-02 2.507553776e-02 5.46 1.938773314e-02 1.938773314e-02 5.48 1.465223685e-02 1.465223685e-02 5.50 1.077396296e-02 1.077396296e-02 5.52 7.670377804e-03 7.670377804e-03 5.54 5.258395865e-03 5.258395865e-03 5.56 3.444975775e-03 3.444975775e-03 5.58 2.133674868e-03 2.133674868e-03 5.60 1.228380175e-03 1.228380175e-03 5.62 6.380677032e-04 6.380677032e-04 5.64 2.806345469e-04 2.806345469e-04 5.66 8.573346435e-05 8.573346435e-05 5.68 -3.774698796e-06 -3.774698796e-06 5.70 -3.173157765e-05 -3.173157765e-05 5.72 -2.954506075e-05 -2.954506075e-05 5.74 -1.752374463e-05 -1.752374463e-05 5.76 -6.704268910e-06 -6.704268910e-06 5.78 -1.171768157e-06 -1.171768157e-06 5.80 -1.033839172e-08 -1.033839172e-08 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