# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--LAMMPS--ipr1 # composition = CoFeNi2 # 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 -4.754078652e+02 -4.754078652e+02 1.04 -4.478673860e+02 -4.478673860e+02 1.06 -4.225097594e+02 -4.225097594e+02 1.08 -3.990723542e+02 -3.990723542e+02 1.10 -3.771404202e+02 -3.771404202e+02 1.12 -3.564180375e+02 -3.564180375e+02 1.14 -3.367173220e+02 -3.367173220e+02 1.16 -3.178734191e+02 -3.178734191e+02 1.18 -2.997903110e+02 -2.997903110e+02 1.20 -2.824591920e+02 -2.824591920e+02 1.22 -2.660209596e+02 -2.660209596e+02 1.24 -2.507466856e+02 -2.507466856e+02 1.26 -2.367955196e+02 -2.367955196e+02 1.28 -2.241066875e+02 -2.241066875e+02 1.30 -2.124166443e+02 -2.124166443e+02 1.32 -2.015044684e+02 -2.015044684e+02 1.34 -1.912015335e+02 -1.912015335e+02 1.36 -1.813402804e+02 -1.813402804e+02 1.38 -1.717685905e+02 -1.717685905e+02 1.40 -1.623798463e+02 -1.623798463e+02 1.42 -1.531124218e+02 -1.531124218e+02 1.44 -1.439520215e+02 -1.439520215e+02 1.46 -1.348755381e+02 -1.348755381e+02 1.48 -1.258487424e+02 -1.258487424e+02 1.50 -1.168775910e+02 -1.168775910e+02 1.52 -1.079943060e+02 -1.079943060e+02 1.54 -9.923953185e+01 -9.923953185e+01 1.56 -9.067337427e+01 -9.067337427e+01 1.58 -8.239162406e+01 -8.239162406e+01 1.60 -7.448940996e+01 -7.448940996e+01 1.62 -6.700775666e+01 -6.700775666e+01 1.64 -5.995012059e+01 -5.995012059e+01 1.66 -5.331963855e+01 -5.331963855e+01 1.68 -4.710669343e+01 -4.710669343e+01 1.70 -4.126859958e+01 -4.126859958e+01 1.72 -3.576169078e+01 -3.576169078e+01 1.74 -3.055292885e+01 -3.055292885e+01 1.76 -2.563202568e+01 -2.563202568e+01 1.78 -2.099670818e+01 -2.099670818e+01 1.80 -1.664962801e+01 -1.664962801e+01 1.82 -1.271343735e+01 -1.271343735e+01 1.84 -9.337130704e+00 -9.337130704e+00 1.86 -6.656463530e+00 -6.656463530e+00 1.88 -4.744504076e+00 -4.744504076e+00 1.90 -3.431658889e+00 -3.431658889e+00 1.92 -2.570583817e+00 -2.570583817e+00 1.94 -2.046840180e+00 -2.046840180e+00 1.96 -1.771100878e+00 -1.771100878e+00 1.98 -1.671380336e+00 -1.671380336e+00 2.00 -1.693875537e+00 -1.693875537e+00 2.02 -1.798755073e+00 -1.798755073e+00 2.04 -1.956942185e+00 -1.956942185e+00 2.06 -2.146885359e+00 -2.146885359e+00 2.08 -2.352368199e+00 -2.352368199e+00 2.10 -2.562961305e+00 -2.562961305e+00 2.12 -2.775183825e+00 -2.775183825e+00 2.14 -2.984477182e+00 -2.984477182e+00 2.16 -3.184993071e+00 -3.184993071e+00 2.18 -3.370757893e+00 -3.370757893e+00 2.20 -3.537088679e+00 -3.537088679e+00 2.22 -3.682019240e+00 -3.682019240e+00 2.24 -3.806669238e+00 -3.806669238e+00 2.26 -3.912862012e+00 -3.912862012e+00 2.28 -4.002836703e+00 -4.002836703e+00 2.30 -4.078475478e+00 -4.078475478e+00 2.32 -4.141061508e+00 -4.141061508e+00 2.34 -4.191792738e+00 -4.191792738e+00 2.36 -4.231864948e+00 -4.231864948e+00 2.38 -4.262522159e+00 -4.262522159e+00 2.40 -4.284756784e+00 -4.284756784e+00 2.42 -4.299332355e+00 -4.299332355e+00 2.44 -4.306866287e+00 -4.306866287e+00 2.46 -4.307870279e+00 -4.307870279e+00 2.48 -4.302623062e+00 -4.302623062e+00 2.50 -4.291771752e+00 -4.291771752e+00 2.52 -4.275730067e+00 -4.275730067e+00 2.54 -4.254138244e+00 -4.254138244e+00 2.56 -4.226644652e+00 -4.226644652e+00 2.58 -4.193221781e+00 -4.193221781e+00 2.60 -4.154072882e+00 -4.154072882e+00 2.62 -4.109501005e+00 -4.109501005e+00 2.64 -4.059878629e+00 -4.059878629e+00 2.66 -4.005653652e+00 -4.005653652e+00 2.68 -3.947198224e+00 -3.947198224e+00 2.70 -3.884911382e+00 -3.884911382e+00 2.72 -3.819297028e+00 -3.819297028e+00 2.74 -3.750935510e+00 -3.750935510e+00 2.76 -3.680472082e+00 -3.680472082e+00 2.78 -3.608672252e+00 -3.608672252e+00 2.80 -3.536412422e+00 -3.536412422e+00 2.82 -3.464550368e+00 -3.464550368e+00 2.84 -3.393814789e+00 -3.393814789e+00 2.86 -3.324772869e+00 -3.324772869e+00 2.88 -3.257778433e+00 -3.257778433e+00 2.90 -3.193013569e+00 -3.193013569e+00 2.92 -3.130481651e+00 -3.130481651e+00 2.94 -3.069820234e+00 -3.069820234e+00 2.96 -3.010320058e+00 -3.010320058e+00 2.98 -2.949542791e+00 -2.949542791e+00 3.00 -2.884570658e+00 -2.884570658e+00 3.02 -2.812784743e+00 -2.812784743e+00 3.04 -2.731830160e+00 -2.731830160e+00 3.06 -2.639478775e+00 -2.639478775e+00 3.08 -2.533498979e+00 -2.533498979e+00 3.10 -2.411683805e+00 -2.411683805e+00 3.12 -2.271897383e+00 -2.271897383e+00 3.14 -2.112502752e+00 -2.112502752e+00 3.16 -1.932522828e+00 -1.932522828e+00 3.18 -1.731449585e+00 -1.731449585e+00 3.20 -1.512250749e+00 -1.512250749e+00 3.22 -1.282277289e+00 -1.282277289e+00 3.24 -1.049202134e+00 -1.049202134e+00 3.26 -8.204605647e-01 -8.204605647e-01 3.28 -6.028052069e-01 -6.028052069e-01 3.30 -4.016939619e-01 -4.016939619e-01 3.32 -2.207002225e-01 -2.207002225e-01 3.34 -6.120846603e-02 -6.120846603e-02 3.36 7.734906725e-02 7.734906725e-02 3.38 1.969767658e-01 1.969767658e-01 3.40 3.004450133e-01 3.004450133e-01 3.42 3.905443004e-01 3.905443004e-01 3.44 4.696790938e-01 4.696790938e-01 3.46 5.396913184e-01 5.396913184e-01 3.48 6.018735813e-01 6.018735813e-01 3.50 6.570915668e-01 6.570915668e-01 3.52 7.059367509e-01 7.059367509e-01 3.54 7.488631007e-01 7.488631007e-01 3.56 7.862853572e-01 7.862853572e-01 3.58 8.186331216e-01 8.186331216e-01 3.60 8.463378816e-01 8.463378816e-01 3.62 8.697995828e-01 8.697995828e-01 3.64 8.893807592e-01 8.893807592e-01 3.66 9.053900071e-01 9.053900071e-01 3.68 9.180924916e-01 9.180924916e-01 3.70 9.277172904e-01 9.277172904e-01 3.72 9.344573770e-01 9.344573770e-01 3.74 9.384701592e-01 9.384701592e-01 3.76 9.398777922e-01 9.398777922e-01 3.78 9.387674826e-01 9.387674826e-01 3.80 9.351916185e-01 9.351916185e-01 3.82 9.291674355e-01 9.291674355e-01 3.84 9.206768125e-01 9.206768125e-01 3.86 9.096727170e-01 9.096727170e-01 3.88 8.961421960e-01 8.961421960e-01 3.90 8.800967218e-01 8.800967218e-01 3.92 8.615447980e-01 8.615447980e-01 3.94 8.405131483e-01 8.405131483e-01 3.96 8.170710192e-01 8.170710192e-01 3.98 7.913049702e-01 7.913049702e-01 4.00 7.633159855e-01 7.633159855e-01 4.02 7.332205647e-01 7.332205647e-01 4.04 7.011511066e-01 7.011511066e-01 4.06 6.672570637e-01 6.672570637e-01 4.08 6.317055988e-01 6.317055988e-01 4.10 5.946815269e-01 5.946815269e-01 4.12 5.563886190e-01 5.563886190e-01 4.14 5.170518454e-01 5.170518454e-01 4.16 4.769197051e-01 4.769197051e-01 4.18 4.362598724e-01 4.362598724e-01 4.20 3.953547753e-01 3.953547753e-01 4.22 3.544794620e-01 3.544794620e-01 4.24 3.139184607e-01 3.139184607e-01 4.26 2.739735294e-01 2.739735294e-01 4.28 2.349612028e-01 2.349612028e-01 4.30 1.972122895e-01 1.972122895e-01 4.32 1.610679361e-01 1.610679361e-01 4.34 1.268768443e-01 1.268768443e-01 4.36 9.499075118e-02 9.499075118e-02 4.38 6.575842336e-02 6.575842336e-02 4.40 3.951949381e-02 3.951949381e-02 4.42 1.659411620e-02 1.659411620e-02 4.44 -2.725913096e-03 -2.725913096e-03 4.46 -1.819046598e-02 -1.819046598e-02 4.48 -2.960566260e-02 -2.960566260e-02 4.50 -3.684769553e-02 -3.684769553e-02 4.52 -3.989873592e-02 -3.989873592e-02 4.54 -3.901195655e-02 -3.901195655e-02 4.56 -3.464634455e-02 -3.464634455e-02 4.58 -2.737725849e-02 -2.737725849e-02 4.60 -1.788300179e-02 -1.788300179e-02 4.62 -6.923880160e-03 -6.923880160e-03 4.64 4.691960046e-03 4.691960046e-03 4.66 1.615562109e-02 1.615562109e-02 4.68 2.671391877e-02 2.671391877e-02 4.70 3.572642659e-02 3.572642659e-02 4.72 4.271853226e-02 4.271853226e-02 4.74 4.741446550e-02 4.741446550e-02 4.76 4.975047309e-02 4.975047309e-02 4.78 4.986444734e-02 4.986444734e-02 4.80 4.805480323e-02 4.805480323e-02 4.82 4.471938788e-02 4.471938788e-02 4.84 4.030915595e-02 4.030915595e-02 4.86 3.527618863e-02 3.527618863e-02 4.88 3.003083114e-02 3.003083114e-02 4.90 2.491168618e-02 2.491168618e-02 4.92 2.016903122e-02 2.016903122e-02 4.94 1.596119658e-02 1.596119658e-02 4.96 1.235885393e-02 1.235885393e-02 4.98 9.355272105e-03 9.355272105e-03 5.00 6.887860496e-03 6.887860496e-03 5.02 4.850394967e-03 4.850394967e-03 5.04 3.117588639e-03 3.117588639e-03 5.06 1.635555504e-03 1.635555504e-03 5.08 3.966283460e-04 3.966283460e-04 5.10 -6.065310091e-04 -6.065310091e-04 5.12 -1.382950167e-03 -1.382950167e-03 5.14 -1.943075775e-03 -1.943075775e-03 5.16 -2.299068339e-03 -2.299068339e-03 5.18 -2.465481783e-03 -2.465481783e-03 5.20 -2.459612013e-03 -2.459612013e-03 5.22 -2.300864957e-03 -2.300864957e-03 5.24 -2.004778104e-03 -2.004778104e-03 5.26 -1.588325899e-03 -1.588325899e-03 5.28 -1.073101602e-03 -1.073101602e-03 5.30 -4.850739022e-04 -4.850739022e-04 5.32 1.467285265e-04 1.467285265e-04 5.34 7.901364574e-04 7.901364574e-04 5.36 1.412122490e-03 1.412122490e-03 5.38 1.980391871e-03 1.980391871e-03 5.40 2.465911021e-03 2.465911021e-03 5.42 2.844854072e-03 2.844854072e-03 5.44 3.101106477e-03 3.101106477e-03 5.46 3.227882142e-03 3.227882142e-03 5.48 3.228118732e-03 3.228118732e-03 5.50 3.114711808e-03 3.114711808e-03 5.52 2.909334130e-03 2.909334130e-03 5.54 2.636054020e-03 2.636054020e-03 5.56 2.315252267e-03 2.315252267e-03 5.58 1.967198665e-03 1.967198665e-03 5.60 1.612519304e-03 1.612519304e-03 5.62 1.270104530e-03 1.270104530e-03 5.64 9.556859061e-04 9.556859061e-04 5.66 6.811549135e-04 6.811549135e-04 5.68 4.539416495e-04 4.539416495e-04 5.70 2.773872718e-04 2.773872718e-04 5.72 1.501398871e-04 1.501398871e-04 5.74 6.767401573e-05 6.767401573e-05 5.76 2.229428993e-05 2.229428993e-05 5.78 3.628279748e-06 3.628279748e-06 5.80 5.516155185e-09 5.516155185e-09 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