# 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--ipr2 # composition = CrCu2Fe # 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 -4.905105300e+02 -4.905105300e+02 1.04 -4.629040263e+02 -4.629040263e+02 1.06 -4.366070362e+02 -4.366070362e+02 1.08 -4.120376544e+02 -4.120376544e+02 1.10 -3.888280977e+02 -3.888280977e+02 1.12 -3.662838462e+02 -3.662838462e+02 1.14 -3.443671317e+02 -3.443671317e+02 1.16 -3.232426899e+02 -3.232426899e+02 1.18 -3.034690487e+02 -3.034690487e+02 1.20 -2.858309359e+02 -2.858309359e+02 1.22 -2.702559299e+02 -2.702559299e+02 1.24 -2.559229848e+02 -2.559229848e+02 1.26 -2.423739681e+02 -2.423739681e+02 1.28 -2.297383938e+02 -2.297383938e+02 1.30 -2.179638794e+02 -2.179638794e+02 1.32 -2.066368178e+02 -2.066368178e+02 1.34 -1.954369974e+02 -1.954369974e+02 1.36 -1.845474503e+02 -1.845474503e+02 1.38 -1.743593541e+02 -1.743593541e+02 1.40 -1.649569584e+02 -1.649569584e+02 1.42 -1.559943822e+02 -1.559943822e+02 1.44 -1.470837056e+02 -1.470837056e+02 1.46 -1.380651650e+02 -1.380651650e+02 1.48 -1.290269276e+02 -1.290269276e+02 1.50 -1.201608405e+02 -1.201608405e+02 1.52 -1.116200856e+02 -1.116200856e+02 1.54 -1.034234618e+02 -1.034234618e+02 1.56 -9.539781869e+01 -9.539781869e+01 1.58 -8.723723068e+01 -8.723723068e+01 1.60 -7.870337303e+01 -7.870337303e+01 1.62 -6.985277195e+01 -6.985277195e+01 1.64 -6.101968220e+01 -6.101968220e+01 1.66 -5.258128829e+01 -5.258128829e+01 1.68 -4.475242079e+01 -4.475242079e+01 1.70 -3.758371643e+01 -3.758371643e+01 1.72 -3.109782275e+01 -3.109782275e+01 1.74 -2.532778399e+01 -2.532778399e+01 1.76 -2.026982028e+01 -2.026982028e+01 1.78 -1.583712420e+01 -1.583712420e+01 1.80 -1.193405597e+01 -1.193405597e+01 1.82 -8.528523139e+00 -8.528523139e+00 1.84 -5.908076218e+00 -5.908076218e+00 1.86 -3.989625220e+00 -3.989625220e+00 1.88 -2.664716179e+00 -2.664716179e+00 1.90 -1.804618653e+00 -1.804618653e+00 1.92 -1.281064842e+00 -1.281064842e+00 1.94 -9.946767190e-01 -9.946767190e-01 1.96 -8.848996578e-01 -8.848996578e-01 1.98 -9.121485917e-01 -9.121485917e-01 2.00 -1.042667838e+00 -1.042667838e+00 2.02 -1.245730876e+00 -1.245730876e+00 2.04 -1.496764440e+00 -1.496764440e+00 2.06 -1.776103394e+00 -1.776103394e+00 2.08 -2.066288893e+00 -2.066288893e+00 2.10 -2.350621434e+00 -2.350621434e+00 2.12 -2.613779926e+00 -2.613779926e+00 2.14 -2.843746420e+00 -2.843746420e+00 2.16 -3.033008537e+00 -3.033008537e+00 2.18 -3.180020581e+00 -3.180020581e+00 2.20 -3.289903776e+00 -3.289903776e+00 2.22 -3.371657024e+00 -3.371657024e+00 2.24 -3.434256529e+00 -3.434256529e+00 2.26 -3.484564089e+00 -3.484564089e+00 2.28 -3.529333677e+00 -3.529333677e+00 2.30 -3.575952299e+00 -3.575952299e+00 2.32 -3.626887274e+00 -3.626887274e+00 2.34 -3.677442445e+00 -3.677442445e+00 2.36 -3.722752121e+00 -3.722752121e+00 2.38 -3.759233870e+00 -3.759233870e+00 2.40 -3.784478173e+00 -3.784478173e+00 2.42 -3.797426407e+00 -3.797426407e+00 2.44 -3.799667110e+00 -3.799667110e+00 2.46 -3.793690267e+00 -3.793690267e+00 2.48 -3.781622202e+00 -3.781622202e+00 2.50 -3.765177643e+00 -3.765177643e+00 2.52 -3.745219464e+00 -3.745219464e+00 2.54 -3.721996822e+00 -3.721996822e+00 2.56 -3.696136638e+00 -3.696136638e+00 2.58 -3.668404290e+00 -3.668404290e+00 2.60 -3.639550868e+00 -3.639550868e+00 2.62 -3.610241174e+00 -3.610241174e+00 2.64 -3.581044777e+00 -3.581044777e+00 2.66 -3.552368297e+00 -3.552368297e+00 2.68 -3.524264822e+00 -3.524264822e+00 2.70 -3.496545330e+00 -3.496545330e+00 2.72 -3.468899096e+00 -3.468899096e+00 2.74 -3.440907751e+00 -3.440907751e+00 2.76 -3.412049696e+00 -3.412049696e+00 2.78 -3.381716087e+00 -3.381716087e+00 2.80 -3.349084048e+00 -3.349084048e+00 2.82 -3.313261008e+00 -3.313261008e+00 2.84 -3.273533647e+00 -3.273533647e+00 2.86 -3.229772797e+00 -3.229772797e+00 2.88 -3.182436229e+00 -3.182436229e+00 2.90 -3.132098253e+00 -3.132098253e+00 2.92 -3.079790296e+00 -3.079790296e+00 2.94 -3.026797357e+00 -3.026797357e+00 2.96 -2.974115051e+00 -2.974115051e+00 2.98 -2.922429256e+00 -2.922429256e+00 3.00 -2.872225897e+00 -2.872225897e+00 3.02 -2.823348286e+00 -2.823348286e+00 3.04 -2.771821932e+00 -2.771821932e+00 3.06 -2.712564232e+00 -2.712564232e+00 3.08 -2.641098320e+00 -2.641098320e+00 3.10 -2.553351385e+00 -2.553351385e+00 3.12 -2.445927932e+00 -2.445927932e+00 3.14 -2.316295419e+00 -2.316295419e+00 3.16 -2.162669410e+00 -2.162669410e+00 3.18 -1.984125131e+00 -1.984125131e+00 3.20 -1.781271090e+00 -1.781271090e+00 3.22 -1.563174277e+00 -1.563174277e+00 3.24 -1.341577941e+00 -1.341577941e+00 3.26 -1.126409232e+00 -1.126409232e+00 3.28 -9.254814300e-01 -9.254814300e-01 3.30 -7.441151134e-01 -7.441151134e-01 3.32 -5.848783521e-01 -5.848783521e-01 3.34 -4.476963654e-01 -4.476963654e-01 3.36 -3.305114133e-01 -3.305114133e-01 3.38 -2.301623742e-01 -2.301623742e-01 3.40 -1.432063965e-01 -1.432063965e-01 3.42 -6.655531404e-02 -6.655531404e-02 3.44 2.155710666e-03 2.155710666e-03 3.46 6.456957110e-02 6.456957110e-02 3.48 1.217943935e-01 1.217943935e-01 3.50 1.746271460e-01 1.746271460e-01 3.52 2.237338179e-01 2.237338179e-01 3.54 2.697582055e-01 2.697582055e-01 3.56 3.133593052e-01 3.133593052e-01 3.58 3.551154857e-01 3.551154857e-01 3.60 3.954150012e-01 3.954150012e-01 3.62 4.345529284e-01 4.345529284e-01 3.64 4.727476085e-01 4.727476085e-01 3.66 5.101320555e-01 5.101320555e-01 3.68 5.467801534e-01 5.467801534e-01 3.70 5.827214193e-01 5.827214193e-01 3.72 6.179473584e-01 6.179473584e-01 3.74 6.524158969e-01 6.524158969e-01 3.76 6.860537085e-01 6.860537085e-01 3.78 7.187566866e-01 7.187566866e-01 3.80 7.503876245e-01 7.503876245e-01 3.82 7.807721351e-01 7.807721351e-01 3.84 8.096911716e-01 8.096911716e-01 3.86 8.368815591e-01 8.368815591e-01 3.88 8.621144238e-01 8.621144238e-01 3.90 8.851873930e-01 8.851873930e-01 3.92 9.058931077e-01 9.058931077e-01 3.94 9.240208102e-01 9.240208102e-01 3.96 9.393549845e-01 9.393549845e-01 3.98 9.512361601e-01 9.512361601e-01 4.00 9.571911663e-01 9.571911663e-01 4.02 9.549343788e-01 9.549343788e-01 4.04 9.429587400e-01 9.429587400e-01 4.06 9.204455989e-01 9.204455989e-01 4.08 8.871775747e-01 8.871775747e-01 4.10 8.434526936e-01 8.434526936e-01 4.12 7.900010008e-01 7.900010008e-01 4.14 7.279026681e-01 7.279026681e-01 4.16 6.585087205e-01 6.585087205e-01 4.18 5.833637790e-01 5.833637790e-01 4.20 5.041271414e-01 5.041271414e-01 4.22 4.224882774e-01 4.224882774e-01 4.24 3.401053182e-01 3.401053182e-01 4.26 2.585396511e-01 2.585396511e-01 4.28 1.791922472e-01 1.791922472e-01 4.30 1.032393481e-01 1.032393481e-01 4.32 3.157612449e-02 3.157612449e-02 4.34 -3.523491102e-02 -3.523491102e-02 4.36 -9.700736763e-02 -9.700736763e-02 4.38 -1.539582232e-01 -1.539582232e-01 4.40 -2.067239206e-01 -2.067239206e-01 4.42 -2.537847696e-01 -2.537847696e-01 4.44 -2.706944087e-01 -2.706944087e-01 4.46 -2.243691538e-01 -2.243691538e-01 4.48 -8.640144580e-02 -8.640144580e-02 4.50 1.665798544e-01 1.665798544e-01 4.52 5.528207996e-01 5.528207996e-01 4.54 1.085436488e+00 1.085436488e+00 4.56 1.773725567e+00 1.773725567e+00 4.58 2.624841356e+00 2.624841356e+00 4.60 3.644880779e+00 3.644880779e+00 4.62 4.838041916e+00 4.838041916e+00 4.64 6.206614661e+00 6.206614661e+00 4.66 7.750736992e+00 7.750736992e+00 4.68 9.467766731e+00 9.467766731e+00 4.70 1.135134659e+01 1.135134659e+01 4.72 1.339012635e+01 1.339012635e+01 4.74 1.556665996e+01 1.556665996e+01 4.76 1.785687498e+01 1.785687498e+01 4.78 2.022934833e+01 2.022934833e+01 4.80 2.264516108e+01 2.264516108e+01 4.82 2.505831296e+01 2.505831296e+01 4.84 2.741684340e+01 2.741684340e+01 4.86 2.966450082e+01 2.966450082e+01 4.88 3.174279396e+01 3.174279396e+01 4.90 3.359325312e+01 3.359325312e+01 4.92 3.515962782e+01 3.515962782e+01 4.94 3.639011572e+01 3.639011572e+01 4.96 3.723935937e+01 3.723935937e+01 4.98 3.767024670e+01 3.767024670e+01 5.00 3.765556048e+01 3.765556048e+01 5.02 3.717937260e+01 3.717937260e+01 5.04 3.623838301e+01 3.623838301e+01 5.06 3.484305040e+01 3.484305040e+01 5.08 3.301842698e+01 3.301842698e+01 5.10 3.080461044e+01 3.080461044e+01 5.12 2.825670188e+01 2.825670188e+01 5.14 2.544396625e+01 2.544396625e+01 5.16 2.244805565e+01 2.244805565e+01 5.18 1.936015790e+01 1.936015790e+01 5.20 1.627683652e+01 1.627683652e+01 5.22 1.329608377e+01 1.329608377e+01 5.24 1.051489653e+01 1.051489653e+01 5.26 8.015384316e+00 8.015384316e+00 5.28 5.856443305e+00 5.856443305e+00 5.30 4.070180271e+00 4.070180271e+00 5.32 2.660870905e+00 2.660870905e+00 5.34 1.607035280e+00 1.607035280e+00 5.36 8.664724902e-01 8.664724902e-01 5.38 3.835865974e-01 3.835865974e-01 5.40 9.766588617e-02 9.766588617e-02 5.42 -4.940076693e-02 -4.940076693e-02 5.44 -1.073519780e-01 -1.073519780e-01 5.46 -1.144931745e-01 -1.144931745e-01 5.48 -9.731892509e-02 -9.731892509e-02 5.50 -7.212628523e-02 -7.212628523e-02 5.52 -4.761294928e-02 -4.761294928e-02 5.54 -2.752905834e-02 -2.752905834e-02 5.56 -1.281701328e-02 -1.281701328e-02 5.58 -3.067968141e-03 -3.067968141e-03 5.60 2.644192880e-03 2.644192880e-03 5.62 5.349596278e-03 5.349596278e-03 5.64 6.002361822e-03 6.002361822e-03 5.66 5.409440358e-03 5.409440358e-03 5.68 4.207828786e-03 4.207828786e-03 5.70 2.861208111e-03 2.861208111e-03 5.72 1.671023835e-03 1.671023835e-03 5.74 7.946652447e-04 7.946652447e-04 5.76 2.705388592e-04 2.705388592e-04 5.78 4.458027932e-05 4.458027932e-05 5.80 1.640576472e-07 1.640576472e-07 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