# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CoCuFe2 # 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 nan nan 1.04 -5.721023682e+02 -5.721023682e+02 1.06 -5.398668324e+02 -5.398668324e+02 1.08 -5.098245873e+02 -5.098245873e+02 1.10 -4.815009339e+02 -4.815009339e+02 1.12 -4.543275328e+02 -4.543275328e+02 1.14 -4.282423435e+02 -4.282423435e+02 1.16 -4.036657498e+02 -4.036657498e+02 1.18 -3.802923631e+02 -3.802923631e+02 1.20 -3.583255621e+02 -3.583255621e+02 1.22 -3.378836985e+02 -3.378836985e+02 1.24 -3.187395249e+02 -3.187395249e+02 1.26 -3.009430418e+02 -3.009430418e+02 1.28 -2.848789793e+02 -2.848789793e+02 1.30 -2.701653663e+02 -2.701653663e+02 1.32 -2.564689809e+02 -2.564689809e+02 1.34 -2.433842401e+02 -2.433842401e+02 1.36 -2.309339825e+02 -2.309339825e+02 1.38 -2.189367733e+02 -2.189367733e+02 1.40 -2.074558181e+02 -2.074558181e+02 1.42 -1.962431162e+02 -1.962431162e+02 1.44 -1.851357879e+02 -1.851357879e+02 1.46 -1.741829269e+02 -1.741829269e+02 1.48 -1.632042226e+02 -1.632042226e+02 1.50 -1.523500627e+02 -1.523500627e+02 1.52 -1.417410824e+02 -1.417410824e+02 1.54 -1.314325419e+02 -1.314325419e+02 1.56 -1.214128493e+02 -1.214128493e+02 1.58 -1.116754560e+02 -1.116754560e+02 1.60 -1.022384985e+02 -1.022384985e+02 1.62 -9.302029243e+01 -9.302029243e+01 1.64 -8.414855357e+01 -8.414855357e+01 1.66 -7.580088869e+01 -7.580088869e+01 1.68 -6.799615658e+01 -6.799615658e+01 1.70 -6.072459764e+01 -6.072459764e+01 1.72 -5.392533305e+01 -5.392533305e+01 1.74 -4.758235061e+01 -4.758235061e+01 1.76 -4.172873473e+01 -4.172873473e+01 1.78 -3.622330584e+01 -3.622330584e+01 1.80 -3.103610392e+01 -3.103610392e+01 1.82 -2.610594519e+01 -2.610594519e+01 1.84 -2.141756807e+01 -2.141756807e+01 1.86 -1.696973661e+01 -1.696973661e+01 1.88 -1.286659273e+01 -1.286659273e+01 1.90 -9.497861154e+00 -9.497861154e+00 1.92 -6.962115456e+00 -6.962115456e+00 1.94 -5.127982038e+00 -5.127982038e+00 1.96 -3.841305037e+00 -3.841305037e+00 1.98 -2.975869022e+00 -2.975869022e+00 2.00 -2.442910398e+00 -2.442909880e+00 2.02 -2.162170783e+00 -2.162170783e+00 2.04 -2.052235291e+00 -2.052235291e+00 2.06 -2.069572861e+00 -2.069572861e+00 2.08 -2.171150932e+00 -2.171150932e+00 2.10 -2.321960045e+00 -2.321960045e+00 2.12 -2.496272727e+00 -2.496272727e+00 2.14 -2.688823591e+00 -2.688823591e+00 2.16 -2.871627021e+00 -2.871627021e+00 2.18 -3.041909581e+00 -3.041909581e+00 2.20 -3.194099562e+00 -3.194099562e+00 2.22 -3.326599451e+00 -3.326599451e+00 2.24 -3.443197865e+00 -3.443197865e+00 2.26 -3.548628650e+00 -3.548628650e+00 2.28 -3.646437605e+00 -3.646437605e+00 2.30 -3.736850161e+00 -3.736850161e+00 2.32 -3.816388954e+00 -3.816388954e+00 2.34 -3.898164694e+00 -3.898164694e+00 2.36 -3.958867503e+00 -3.958867503e+00 2.38 -4.005096007e+00 -4.005096007e+00 2.40 -4.042537634e+00 -4.042537634e+00 2.42 -4.064113444e+00 -4.064113444e+00 2.44 -4.073719101e+00 -4.073719101e+00 2.46 -4.073467171e+00 -4.073467171e+00 2.48 -4.065275096e+00 -4.065275096e+00 2.50 -4.050743491e+00 -4.050743491e+00 2.52 -4.030863052e+00 -4.030863052e+00 2.54 -4.005934305e+00 -4.005934305e+00 2.56 -3.976154004e+00 -3.976154004e+00 2.58 -3.942003357e+00 -3.942003357e+00 2.60 -3.905513062e+00 -3.905513062e+00 2.62 -3.866471307e+00 -3.866471307e+00 2.64 -3.826360672e+00 -3.826360672e+00 2.66 -3.785868807e+00 -3.785868807e+00 2.68 -3.745145969e+00 -3.745145969e+00 2.70 -3.703886136e+00 -3.703886136e+00 2.72 -3.661501891e+00 -3.661501891e+00 2.74 -3.617307829e+00 -3.617307829e+00 2.76 -3.570766093e+00 -3.570766093e+00 2.78 -3.521638308e+00 -3.521638308e+00 2.80 -3.469859643e+00 -3.469859643e+00 2.82 -3.415611938e+00 -3.415611938e+00 2.84 -3.359376605e+00 -3.359376605e+00 2.86 -3.301936505e+00 -3.301936505e+00 2.88 -3.244212853e+00 -3.244212853e+00 2.90 -3.187775595e+00 -3.187775595e+00 2.92 -3.134250656e+00 -3.134250656e+00 2.94 -3.085109633e+00 -3.085109633e+00 2.96 -3.041439679e+00 -3.041439679e+00 2.98 -3.003896755e+00 -3.003896755e+00 3.00 -2.973944189e+00 -2.973944189e+00 3.02 -2.944896845e+00 -2.944896845e+00 3.04 -2.902717162e+00 -2.902717162e+00 3.06 -2.838500526e+00 -2.838500526e+00 3.08 -2.741498575e+00 -2.741498575e+00 3.10 -2.600458891e+00 -2.600458891e+00 3.12 -2.403538905e+00 -2.403538905e+00 3.14 -2.174656488e+00 -2.174656488e+00 3.16 -1.869349898e+00 -1.869349898e+00 3.18 -1.502155963e+00 -1.502155963e+00 3.20 -1.093031660e+00 -1.093031660e+00 3.22 -6.684782535e-01 -6.684782535e-01 3.24 -2.520201273e-01 -2.520201273e-01 3.26 1.365483072e-01 1.365483072e-01 3.28 4.821686049e-01 4.821686049e-01 3.30 7.756002041e-01 7.756002041e-01 3.32 1.014014511e+00 1.014014511e+00 3.34 1.200566681e+00 1.200566681e+00 3.36 1.342811587e+00 1.342811587e+00 3.38 1.450363645e+00 1.450363645e+00 3.40 1.532704788e+00 1.532704788e+00 3.42 1.597812465e+00 1.597812465e+00 3.44 1.651581613e+00 1.651581613e+00 3.46 1.698001375e+00 1.698001375e+00 3.48 1.739665162e+00 1.739665162e+00 3.50 1.778297884e+00 1.778297884e+00 3.52 1.815153307e+00 1.815153307e+00 3.54 1.851246722e+00 1.851246722e+00 3.56 1.887445249e+00 1.887445249e+00 3.58 1.924458352e+00 1.924458352e+00 3.60 1.962808418e+00 1.962808418e+00 3.62 2.002840017e+00 2.002840017e+00 3.64 2.044742728e+00 2.044742728e+00 3.66 2.088573864e+00 2.088573864e+00 3.68 2.121509257e+00 2.121509257e+00 3.70 2.162030011e+00 2.162030011e+00 3.72 2.202162122e+00 2.202162122e+00 3.74 2.241572653e+00 2.241572653e+00 3.76 2.279959402e+00 2.279959402e+00 3.78 2.317061167e+00 2.317061167e+00 3.80 2.352662298e+00 2.352662298e+00 3.82 2.386591611e+00 2.386591611e+00 3.84 2.418716217e+00 2.418716217e+00 3.86 2.448940087e+00 2.448940087e+00 3.88 2.477261396e+00 2.477261396e+00 3.90 2.503706042e+00 2.503706042e+00 3.92 2.528276653e+00 2.528276653e+00 3.94 2.550951535e+00 2.550951535e+00 3.96 2.570715735e+00 2.570715735e+00 3.98 2.585371380e+00 2.585371380e+00 4.00 2.593566126e+00 2.593566126e+00 4.02 2.594790843e+00 2.594790843e+00 4.04 2.589187170e+00 2.589187170e+00 4.06 2.577375710e+00 2.577375710e+00 4.08 2.560303552e+00 2.560303552e+00 4.10 2.539109776e+00 2.539109776e+00 4.12 2.515007712e+00 2.515007712e+00 4.14 2.489173363e+00 2.489173363e+00 4.16 2.462651832e+00 2.462651832e+00 4.18 2.436299291e+00 2.436299291e+00 4.20 2.410724229e+00 2.410724229e+00 4.22 2.386236154e+00 2.386236154e+00 4.24 2.362812794e+00 2.362812794e+00 4.26 2.340079922e+00 2.340079922e+00 4.28 2.317299456e+00 2.317299456e+00 4.30 2.293372785e+00 2.293372785e+00 4.32 2.266857082e+00 2.266857082e+00 4.34 2.235998619e+00 2.235998619e+00 4.36 2.198785081e+00 2.198785081e+00 4.38 2.153018683e+00 2.153018683e+00 4.40 2.096415904e+00 2.096415904e+00 4.42 2.026734407e+00 2.026734407e+00 4.44 1.941930334e+00 1.941930334e+00 4.46 1.840344181e+00 1.840344181e+00 4.48 1.720906576e+00 1.720906576e+00 4.50 1.583353478e+00 1.583353478e+00 4.52 1.428433896e+00 1.428433896e+00 4.54 1.258162384e+00 1.258162384e+00 4.56 1.074591198e+00 1.074591198e+00 4.58 8.788628149e-01 8.788628149e-01 4.60 6.725917384e-01 6.725917384e-01 4.62 4.580168735e-01 4.580168735e-01 4.64 2.379714737e-01 2.379714737e-01 4.66 1.577560719e-02 1.577560719e-02 4.68 -1.986569189e-01 -1.986569189e-01 4.70 -3.362273528e-01 -3.362273528e-01 4.72 -3.231511700e-01 -3.231511700e-01 4.74 -1.248027361e-01 -1.248027361e-01 4.76 2.608383994e-01 2.608383994e-01 4.78 8.133576706e-01 8.133576706e-01 4.80 1.500415449e+00 1.500415449e+00 4.82 2.286279542e+00 2.286279542e+00 4.84 3.137219459e+00 3.137219459e+00 4.86 4.023823586e+00 4.023823586e+00 4.88 4.920990065e+00 4.920990065e+00 4.90 5.806565632e+00 5.806565632e+00 4.92 6.659627859e+00 6.659627859e+00 4.94 7.458940101e+00 7.458940101e+00 4.96 8.182045684e+00 8.182045684e+00 4.98 8.805103585e+00 8.805103585e+00 5.00 9.303584497e+00 9.303584497e+00 5.02 9.653669846e+00 9.653669846e+00 5.04 9.834224454e+00 9.834224454e+00 5.06 9.829126971e+00 9.829126971e+00 5.08 9.629145687e+00 9.629145687e+00 5.10 9.233341668e+00 9.233341668e+00 5.12 8.650172024e+00 8.650172024e+00 5.14 7.898148787e+00 7.898148787e+00 5.16 7.005829213e+00 7.005829213e+00 5.18 6.011059606e+00 6.011059606e+00 5.20 5.213038384e+00 5.213038384e+00 5.22 4.208085237e+00 4.208085237e+00 5.24 3.241100135e+00 3.241100135e+00 5.26 2.355445445e+00 2.355445445e+00 5.28 1.584826538e+00 1.584826538e+00 5.30 9.508160480e-01 9.508160480e-01 5.32 4.617121190e-01 4.617121190e-01 5.34 1.130141472e-01 1.130141472e-01 5.36 -1.104955591e-01 -1.104955591e-01 5.38 -2.313813950e-01 -2.313813950e-01 5.40 -2.755529211e-01 -2.755529211e-01 5.42 -2.684234972e-01 -2.684234972e-01 5.44 -2.319483089e-01 -2.319483089e-01 5.46 -1.829669580e-01 -1.829669580e-01 5.48 -1.328686961e-01 -1.328686961e-01 5.50 -8.826000527e-02 -8.826000527e-02 5.52 -5.214304103e-02 -5.214304103e-02 5.54 -2.515244560e-02 -2.515244560e-02 5.56 -6.567937979e-03 -6.567937979e-03 5.58 4.960085440e-03 4.960085440e-03 5.60 1.098612720e-02 1.098612720e-02 5.62 1.302996540e-02 1.302996540e-02 5.64 1.245212071e-02 1.245212071e-02 5.66 1.038987967e-02 1.038987967e-02 5.68 7.731289786e-03 7.731289786e-03 5.70 5.112384655e-03 5.112384655e-03 5.72 2.931138186e-03 2.931138186e-03 5.74 1.376894656e-03 1.376894656e-03 5.76 4.650200420e-04 4.650200420e-04 5.78 7.649615548e-05 7.649615548e-05 5.80 3.729928582e-07 3.729928582e-07 5.82 -2.455294599e-05 -2.455294599e-05 5.84 -2.739331904e-04 -2.739331904e-04 5.86 -1.023665634e-03 -1.023665634e-03 5.88 -2.549292551e-03 -2.549292551e-03 5.90 -5.125711193e-03 -5.125711193e-03 5.92 -9.026134360e-03 -9.026134360e-03 5.94 -1.451919338e-02 -1.451919338e-02 5.96 -2.186612107e-02 -2.186612107e-02 5.98 -3.131429387e-02 -3.131429387e-02 6.00 -2.086697560e-02 -2.072324630e-02