# 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 = CoCu2Ni # 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 -4.048004173e+02 -4.048004173e+02 1.04 -3.827476405e+02 -3.827476405e+02 1.06 -3.614183117e+02 -3.614183117e+02 1.08 -3.414166017e+02 -3.414166017e+02 1.10 -3.223729175e+02 -3.223729175e+02 1.12 -3.034274326e+02 -3.034274326e+02 1.14 -2.845589877e+02 -2.845589877e+02 1.16 -2.661279796e+02 -2.661279796e+02 1.18 -2.490120343e+02 -2.490120343e+02 1.20 -2.343104501e+02 -2.343104501e+02 1.22 -2.219798094e+02 -2.219798094e+02 1.24 -2.109167705e+02 -2.109167705e+02 1.26 -2.003879416e+02 -2.003879416e+02 1.28 -1.904464249e+02 -1.904464249e+02 1.30 -1.810757114e+02 -1.810757114e+02 1.32 -1.718863851e+02 -1.718863851e+02 1.34 -1.625664297e+02 -1.625664297e+02 1.36 -1.533942157e+02 -1.533942157e+02 1.38 -1.449087072e+02 -1.449087072e+02 1.40 -1.372568842e+02 -1.372568842e+02 1.42 -1.300394040e+02 -1.300394040e+02 1.44 -1.227986293e+02 -1.227986293e+02 1.46 -1.153360752e+02 -1.153360752e+02 1.48 -1.077407314e+02 -1.077407314e+02 1.50 -1.002224837e+02 -1.002224837e+02 1.52 -9.296557168e+01 -9.296557168e+01 1.54 -8.601412474e+01 -8.601412474e+01 1.56 -7.916745263e+01 -7.916745263e+01 1.58 -7.203570797e+01 -7.203570797e+01 1.60 -6.430350775e+01 -6.430350775e+01 1.62 -5.602726471e+01 -5.602726471e+01 1.64 -4.760938418e+01 -4.760938418e+01 1.66 -3.949885449e+01 -3.949885449e+01 1.68 -3.194729951e+01 -3.194729951e+01 1.70 -2.502656857e+01 -2.502656857e+01 1.72 -1.879342863e+01 -1.879342863e+01 1.74 -1.332334868e+01 -1.332334868e+01 1.76 -8.657441746e+00 -8.657441746e+00 1.78 -5.272773254e+00 -5.272773254e+00 1.80 -3.073493105e+00 -3.073493105e+00 1.82 -1.611942409e+00 -1.611942409e+00 1.84 -6.435430031e-01 -6.435430031e-01 1.86 -5.370307919e-02 -5.370307919e-02 1.88 2.352579578e-01 2.352579578e-01 1.90 3.028896394e-01 3.028896394e-01 1.92 2.249085816e-01 2.249085816e-01 1.94 5.563747298e-02 5.563747298e-02 1.96 -1.733489598e-01 -1.733489598e-01 1.98 -4.431105756e-01 -4.431105756e-01 2.00 -7.401231682e-01 -7.401231682e-01 2.02 -1.054177419e+00 -1.054177419e+00 2.04 -1.378019596e+00 -1.378019596e+00 2.06 -1.705545858e+00 -1.705545858e+00 2.08 -2.030018775e+00 -2.030018775e+00 2.10 -2.342916731e+00 -2.342916731e+00 2.12 -2.634194157e+00 -2.634194157e+00 2.14 -2.894071388e+00 -2.894071388e+00 2.16 -3.115190178e+00 -3.115190178e+00 2.18 -3.294229026e+00 -3.294229026e+00 2.20 -3.431752277e+00 -3.431752277e+00 2.22 -3.531624525e+00 -3.531624525e+00 2.24 -3.599559280e+00 -3.599559280e+00 2.26 -3.641407519e+00 -3.641407519e+00 2.28 -3.666974662e+00 -3.666974662e+00 2.30 -3.685959895e+00 -3.685959895e+00 2.32 -3.705744488e+00 -3.705744488e+00 2.34 -3.727946025e+00 -3.727946025e+00 2.36 -3.752002044e+00 -3.752002044e+00 2.38 -3.776958367e+00 -3.776958367e+00 2.40 -3.801109391e+00 -3.801109391e+00 2.42 -3.822021917e+00 -3.822021917e+00 2.44 -3.837355143e+00 -3.837355143e+00 2.46 -3.846175639e+00 -3.846175639e+00 2.48 -3.848899395e+00 -3.848899395e+00 2.50 -3.846038072e+00 -3.846038072e+00 2.52 -3.837718803e+00 -3.837718803e+00 2.54 -3.824153725e+00 -3.824153725e+00 2.56 -3.805651648e+00 -3.805651648e+00 2.58 -3.782636059e+00 -3.782636059e+00 2.60 -3.755776644e+00 -3.755776644e+00 2.62 -3.725834916e+00 -3.725834916e+00 2.64 -3.693628967e+00 -3.693628967e+00 2.66 -3.659909641e+00 -3.659909641e+00 2.68 -3.625111258e+00 -3.625111258e+00 2.70 -3.589425496e+00 -3.589425496e+00 2.72 -3.552882343e+00 -3.552882343e+00 2.74 -3.515374653e+00 -3.515374653e+00 2.76 -3.476725184e+00 -3.476725184e+00 2.78 -3.436696208e+00 -3.436696208e+00 2.80 -3.394933058e+00 -3.394933058e+00 2.82 -3.350983017e+00 -3.350983017e+00 2.84 -3.304369618e+00 -3.304369618e+00 2.86 -3.254749589e+00 -3.254749589e+00 2.88 -3.201516968e+00 -3.201516968e+00 2.90 -3.144246903e+00 -3.144246903e+00 2.92 -3.083012444e+00 -3.083012444e+00 2.94 -3.018222324e+00 -3.018222324e+00 2.96 -2.950318673e+00 -2.950318673e+00 2.98 -2.879509310e+00 -2.879509310e+00 3.00 -2.806018354e+00 -2.806018354e+00 3.02 -2.730187484e+00 -2.730187484e+00 3.04 -2.652572371e+00 -2.652572371e+00 3.06 -2.574062081e+00 -2.574062081e+00 3.08 -2.495626203e+00 -2.495626203e+00 3.10 -2.418133263e+00 -2.418133263e+00 3.12 -2.342472486e+00 -2.342472486e+00 3.14 -2.269434339e+00 -2.269434339e+00 3.16 -2.199882659e+00 -2.199882659e+00 3.18 -2.134702822e+00 -2.134702822e+00 3.20 -2.074389671e+00 -2.074389671e+00 3.22 -2.018926869e+00 -2.018926869e+00 3.24 -1.967876095e+00 -1.967876095e+00 3.26 -1.920444352e+00 -1.920444352e+00 3.28 -1.875567252e+00 -1.875567252e+00 3.30 -1.832042930e+00 -1.832042930e+00 3.32 -1.788701682e+00 -1.788701682e+00 3.34 -1.744580993e+00 -1.744580993e+00 3.36 -1.699115756e+00 -1.699115756e+00 3.38 -1.652203699e+00 -1.652203699e+00 3.40 -1.604125089e+00 -1.604125089e+00 3.42 -1.555433159e+00 -1.555433159e+00 3.44 -1.506809562e+00 -1.506809562e+00 3.46 -1.458916649e+00 -1.458916649e+00 3.48 -1.412283617e+00 -1.412283617e+00 3.50 -1.367242772e+00 -1.367242772e+00 3.52 -1.323915879e+00 -1.323915879e+00 3.54 -1.282238790e+00 -1.282238790e+00 3.56 -1.242011481e+00 -1.242011481e+00 3.58 -1.203020399e+00 -1.203020399e+00 3.60 -1.165132661e+00 -1.165132661e+00 3.62 -1.128219149e+00 -1.128219149e+00 3.64 -1.092153500e+00 -1.092153500e+00 3.66 -1.056843495e+00 -1.056843495e+00 3.68 -1.022205232e+00 -1.022205232e+00 3.70 -9.881518141e-01 -9.881518141e-01 3.72 -9.545934397e-01 -9.545934397e-01 3.74 -9.214379843e-01 -9.214379843e-01 3.76 -8.885911209e-01 -8.885911209e-01 3.78 -8.559563911e-01 -8.559563911e-01 3.80 -8.234352793e-01 -8.234352793e-01 3.82 -7.909270963e-01 -7.909270963e-01 3.84 -7.583289787e-01 -7.583289787e-01 3.86 -7.255469954e-01 -7.255469954e-01 3.88 -6.925845450e-01 -6.925845450e-01 3.90 -6.594977682e-01 -6.594977682e-01 3.92 -6.263462014e-01 -6.263462014e-01 3.94 -5.931859728e-01 -5.931859728e-01 3.96 -5.600643932e-01 -5.600643932e-01 3.98 -5.270294003e-01 -5.270294003e-01 4.00 -4.941307031e-01 -4.941307031e-01 4.02 -4.614199719e-01 -4.614199719e-01 4.04 -4.289509067e-01 -4.289509067e-01 4.06 -3.967790187e-01 -3.967790187e-01 4.08 -3.649620329e-01 -3.649620329e-01 4.10 -3.335594584e-01 -3.335594584e-01 4.12 -3.026325945e-01 -3.026325945e-01 4.14 -2.722448443e-01 -2.722448443e-01 4.16 -2.427404611e-01 -2.427404611e-01 4.18 -2.146393775e-01 -2.146393775e-01 4.20 -1.882633095e-01 -1.882633095e-01 4.22 -1.637674264e-01 -1.637674264e-01 4.24 -1.411468600e-01 -1.411468600e-01 4.26 -1.202562760e-01 -1.202562760e-01 4.28 -1.008425976e-01 -1.008425976e-01 4.30 -8.258073262e-02 -8.258073262e-02 4.32 -6.511092705e-02 -6.511092705e-02 4.34 -4.807789911e-02 -4.807789911e-02 4.36 -3.116921472e-02 -3.116921472e-02 4.38 -1.415191608e-02 -1.415191608e-02 4.40 3.096095074e-03 3.096095074e-03 4.42 2.056248353e-02 2.056248353e-02 4.44 3.809984449e-02 3.809984449e-02 4.46 5.632012538e-02 5.632012538e-02 4.48 7.648314001e-02 7.648314001e-02 4.50 9.746501101e-02 9.746501101e-02 4.52 1.173074574e-01 1.173074574e-01 4.54 1.340131844e-01 1.340131844e-01 4.56 1.458268259e-01 1.458268259e-01 4.58 1.514105336e-01 1.514105336e-01 4.60 1.499680479e-01 1.499680479e-01 4.62 1.412954035e-01 1.412954035e-01 4.64 1.257493338e-01 1.257493338e-01 4.66 1.041451445e-01 1.041451445e-01 4.68 7.758382820e-02 7.758382820e-02 4.70 4.728747825e-02 4.728747825e-02 4.72 1.464032894e-02 1.464032894e-02 4.74 -1.893538170e-02 -1.893538170e-02 4.76 -5.212089612e-02 -5.212089612e-02 4.78 -8.381041655e-02 -8.381041655e-02 4.80 -1.131802370e-01 -1.131802370e-01 4.82 -1.397145843e-01 -1.397145843e-01 4.84 -1.631729431e-01 -1.631729431e-01 4.86 -1.835156241e-01 -1.835156241e-01 4.88 -2.008103431e-01 -2.008103431e-01 4.90 -2.151409368e-01 -2.151409368e-01 4.92 -2.265296414e-01 -2.265296414e-01 4.94 -2.348912742e-01 -2.348912742e-01 4.96 -2.400162200e-01 -2.400162200e-01 4.98 -2.415967185e-01 -2.415967185e-01 5.00 -2.392622457e-01 -2.392622457e-01 5.02 -2.326414565e-01 -2.326414565e-01 5.04 -2.214555273e-01 -2.214555273e-01 5.06 -2.057524419e-01 -2.057524419e-01 5.08 -1.858634401e-01 -1.858634401e-01 5.10 -1.623044361e-01 -1.623044361e-01 5.12 -1.357726047e-01 -1.357726047e-01 5.14 -1.071343903e-01 -1.071343903e-01 5.16 -7.740114300e-02 -7.740114300e-02 5.18 -4.769058436e-02 -4.769058436e-02 5.20 -1.917170957e-02 -1.917170957e-02 5.22 6.992894662e-03 6.992894662e-03 5.24 2.970129933e-02 2.970129933e-02 5.26 4.807375269e-02 4.807375269e-02 5.28 6.155107439e-02 6.155107439e-02 5.30 6.994005075e-02 6.994005075e-02 5.32 7.342393945e-02 7.342393945e-02 5.34 7.253072372e-02 7.253072372e-02 5.36 6.806012662e-02 6.806012662e-02 5.38 6.097871090e-02 6.097871090e-02 5.40 5.230023594e-02 5.230023594e-02 5.42 4.297237956e-02 4.297237956e-02 5.44 3.378913360e-02 3.378913360e-02 5.46 2.534066828e-02 2.534066828e-02 5.48 1.800248330e-02 1.800248330e-02 5.50 1.195560846e-02 1.195560846e-02 5.52 7.225544870e-03 7.225544870e-03 5.54 3.727575809e-03 3.727575809e-03 5.56 1.308573483e-03 1.308573483e-03 5.58 -2.193171684e-04 -2.193171684e-04 5.60 -1.053356447e-03 -1.053356447e-03 5.62 -1.382288909e-03 -1.382288909e-03 5.64 -1.374563247e-03 -1.374563247e-03 5.66 -1.171193354e-03 -1.171193354e-03 5.68 -8.826522680e-04 -8.826522680e-04 5.70 -5.885249745e-04 -5.885249745e-04 5.72 -3.393408263e-04 -3.393408263e-04 5.74 -1.600124899e-04 -1.600124899e-04 5.76 -5.418072779e-05 -5.418072779e-05 5.78 -8.906261326e-06 -8.906261326e-06 5.80 -4.235135735e-08 -4.235135735e-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