# 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 = CrCuNi2 # 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 -3.478244449e+02 -3.478244449e+02 1.06 -3.278711432e+02 -3.278711432e+02 1.08 -3.093345096e+02 -3.093345096e+02 1.10 -2.920045123e+02 -2.920045123e+02 1.12 -2.753659231e+02 -2.753659231e+02 1.14 -2.592583847e+02 -2.592583847e+02 1.16 -2.439667526e+02 -2.439667526e+02 1.18 -2.296495156e+02 -2.296495156e+02 1.20 -2.167821012e+02 -2.167821012e+02 1.22 -2.054282585e+02 -2.054282585e+02 1.24 -1.950725062e+02 -1.950725062e+02 1.26 -1.852090542e+02 -1.852090542e+02 1.28 -1.760198645e+02 -1.760198645e+02 1.30 -1.671991674e+02 -1.671991674e+02 1.32 -1.586287670e+02 -1.586287670e+02 1.34 -1.501289020e+02 -1.501289020e+02 1.36 -1.418765660e+02 -1.418765660e+02 1.38 -1.339418065e+02 -1.339418065e+02 1.40 -1.265215047e+02 -1.265215047e+02 1.42 -1.193132146e+02 -1.193132146e+02 1.44 -1.121037284e+02 -1.121037284e+02 1.46 -1.049207746e+02 -1.049207746e+02 1.48 -9.763465618e+01 -9.763465618e+01 1.50 -9.037215926e+01 -9.037215926e+01 1.52 -8.322256101e+01 -8.322256101e+01 1.54 -7.620094306e+01 -7.620094306e+01 1.56 -6.924484339e+01 -6.924484339e+01 1.58 -6.227112729e+01 -6.227112729e+01 1.60 -5.517962303e+01 -5.517962303e+01 1.62 -4.797250967e+01 -4.797250967e+01 1.64 -4.086304368e+01 -4.086304368e+01 1.66 -3.414546616e+01 -3.414546616e+01 1.68 -2.786100378e+01 -2.786100378e+01 1.70 -2.207162585e+01 -2.207162585e+01 1.72 -1.678966558e+01 -1.678966558e+01 1.74 -1.208152001e+01 -1.208152001e+01 1.76 -8.106567630e+00 -8.106567630e+00 1.78 -5.258667084e+00 -5.258667084e+00 1.80 -3.361024304e+00 -3.361024304e+00 1.82 -2.102688632e+00 -2.102688632e+00 1.84 -1.293613961e+00 -1.293613961e+00 1.86 -8.144079600e-01 -8.144079600e-01 1.88 -5.847522799e-01 -5.847522799e-01 1.90 -5.341064451e-01 -5.341064451e-01 1.92 -6.024747249e-01 -6.024747249e-01 1.94 -7.479848466e-01 -7.479848466e-01 1.96 -9.451366583e-01 -9.451366583e-01 1.98 -1.177703562e+00 -1.177703562e+00 2.00 -1.433104165e+00 -1.433103844e+00 2.02 -1.701185054e+00 -1.701185054e+00 2.04 -1.976474375e+00 -1.976474375e+00 2.06 -2.251946588e+00 -2.251946588e+00 2.08 -2.521618737e+00 -2.521618737e+00 2.10 -2.779265965e+00 -2.779265965e+00 2.12 -3.018970405e+00 -3.018970405e+00 2.14 -3.225774708e+00 -3.225774708e+00 2.16 -3.406805870e+00 -3.406805870e+00 2.18 -3.554110326e+00 -3.554110326e+00 2.20 -3.666449162e+00 -3.666449162e+00 2.22 -3.747681353e+00 -3.747681353e+00 2.24 -3.806627858e+00 -3.806627858e+00 2.26 -3.852863108e+00 -3.852863108e+00 2.28 -3.893601067e+00 -3.893601067e+00 2.30 -3.930744289e+00 -3.930744289e+00 2.32 -3.965177962e+00 -3.965177962e+00 2.34 -3.988482246e+00 -3.988482246e+00 2.36 -4.012647196e+00 -4.012647196e+00 2.38 -4.033697335e+00 -4.033697335e+00 2.40 -4.041304134e+00 -4.041304134e+00 2.42 -4.047360260e+00 -4.047360260e+00 2.44 -4.046522766e+00 -4.046522766e+00 2.46 -4.039835766e+00 -4.039835766e+00 2.48 -4.028609929e+00 -4.028609929e+00 2.50 -4.014041651e+00 -4.014041651e+00 2.52 -3.996344058e+00 -3.996344058e+00 2.54 -3.975139685e+00 -3.975139685e+00 2.56 -3.950253997e+00 -3.950253997e+00 2.58 -3.921712028e+00 -3.921712028e+00 2.60 -3.888336640e+00 -3.888336640e+00 2.62 -3.852289336e+00 -3.852289336e+00 2.64 -3.813281045e+00 -3.813281045e+00 2.66 -3.771724621e+00 -3.771724621e+00 2.68 -3.727837544e+00 -3.727837544e+00 2.70 -3.681725622e+00 -3.681725622e+00 2.72 -3.633468188e+00 -3.633468188e+00 2.74 -3.583114644e+00 -3.583114644e+00 2.76 -3.530713939e+00 -3.530713939e+00 2.78 -3.476418496e+00 -3.476418496e+00 2.80 -3.420516062e+00 -3.420516062e+00 2.82 -3.363288279e+00 -3.363288279e+00 2.84 -3.304932181e+00 -3.304932181e+00 2.86 -3.245546900e+00 -3.245546900e+00 2.88 -3.184801419e+00 -3.184801419e+00 2.90 -3.122004029e+00 -3.122004029e+00 2.92 -3.056887925e+00 -3.056887925e+00 2.94 -2.989376738e+00 -2.989376738e+00 2.96 -2.919198799e+00 -2.919198799e+00 2.98 -2.845920633e+00 -2.845920633e+00 3.00 -2.768850070e+00 -2.768850071e+00 3.02 -2.687919290e+00 -2.687919290e+00 3.04 -2.604591185e+00 -2.604591185e+00 3.06 -2.518995259e+00 -2.518995259e+00 3.08 -2.431760986e+00 -2.431760986e+00 3.10 -2.343400794e+00 -2.343400794e+00 3.12 -2.254454950e+00 -2.254454950e+00 3.14 -2.163965632e+00 -2.163965632e+00 3.16 -2.075825077e+00 -2.075825077e+00 3.18 -1.990258850e+00 -1.990258850e+00 3.20 -1.908174730e+00 -1.908174730e+00 3.22 -1.829999795e+00 -1.829999795e+00 3.24 -1.755807663e+00 -1.755807663e+00 3.26 -1.685380581e+00 -1.685380581e+00 3.28 -1.618272710e+00 -1.618272710e+00 3.30 -1.553892173e+00 -1.553892173e+00 3.32 -1.491599070e+00 -1.491599070e+00 3.34 -1.430805299e+00 -1.430805299e+00 3.36 -1.371104402e+00 -1.371104402e+00 3.38 -1.312314936e+00 -1.312314936e+00 3.40 -1.254458714e+00 -1.254458714e+00 3.42 -1.197772113e+00 -1.197772113e+00 3.44 -1.142566295e+00 -1.142566295e+00 3.46 -1.089142062e+00 -1.089142062e+00 3.48 -1.037736481e+00 -1.037736481e+00 3.50 -9.884930168e-01 -9.884930168e-01 3.52 -9.414557857e-01 -9.414557857e-01 3.54 -8.965819729e-01 -8.965819729e-01 3.56 -8.537657436e-01 -8.537657436e-01 3.58 -8.128689858e-01 -8.128689858e-01 3.60 -7.737426297e-01 -7.737426297e-01 3.62 -7.362320090e-01 -7.362320090e-01 3.64 -7.001853480e-01 -7.001853480e-01 3.66 -6.654879454e-01 -6.654879454e-01 3.68 -6.327365665e-01 -6.327365665e-01 3.70 -6.008722147e-01 -6.008722147e-01 3.72 -5.702115861e-01 -5.702115861e-01 3.74 -5.406787109e-01 -5.406787109e-01 3.76 -5.121979191e-01 -5.121979191e-01 3.78 -4.846940561e-01 -4.846940561e-01 3.80 -4.580928192e-01 -4.580928192e-01 3.82 -4.323208818e-01 -4.323208818e-01 3.84 -4.073063507e-01 -4.073063507e-01 3.86 -3.829854539e-01 -3.829854539e-01 3.88 -3.593503845e-01 -3.593503845e-01 3.90 -3.364208254e-01 -3.364208254e-01 3.92 -3.142154265e-01 -3.142154265e-01 3.94 -2.927470269e-01 -2.927470269e-01 3.96 -2.720192034e-01 -2.720192034e-01 3.98 -2.520337261e-01 -2.520337261e-01 4.00 -2.327912137e-01 -2.327912137e-01 4.02 -2.142912327e-01 -2.142912327e-01 4.04 -1.965176290e-01 -1.965176290e-01 4.06 -1.791358463e-01 -1.791358463e-01 4.08 -1.616146394e-01 -1.616146394e-01 4.10 -1.435743986e-01 -1.435743986e-01 4.12 -1.247895188e-01 -1.247895188e-01 4.14 -1.051644545e-01 -1.051644545e-01 4.16 -8.471292856e-02 -8.471292856e-02 4.18 -6.356204602e-02 -6.356204602e-02 4.20 -4.194438386e-02 -4.194438386e-02 4.22 -2.020883281e-02 -2.020883281e-02 4.24 1.222386631e-03 1.222386631e-03 4.26 2.188536349e-02 2.188536349e-02 4.28 4.129936309e-02 4.129936309e-02 4.30 5.899017460e-02 5.899017460e-02 4.32 7.451516241e-02 7.451516241e-02 4.34 8.748822029e-02 8.748822029e-02 4.36 9.760422435e-02 9.760422435e-02 4.38 1.046628894e-01 1.046628894e-01 4.40 1.086339918e-01 1.086339918e-01 4.42 1.102912713e-01 1.102912713e-01 4.44 1.109089459e-01 1.109089459e-01 4.46 1.117478031e-01 1.117478031e-01 4.48 1.140219644e-01 1.140219644e-01 4.50 1.188616470e-01 1.188616470e-01 4.52 1.272678528e-01 1.272678528e-01 4.54 1.400857146e-01 1.400857146e-01 4.56 1.579422761e-01 1.579422761e-01 4.58 1.811723179e-01 1.811723179e-01 4.60 2.097898391e-01 2.097898391e-01 4.62 2.434969169e-01 2.434969169e-01 4.64 2.817264862e-01 2.817264862e-01 4.66 3.237125898e-01 3.237125898e-01 4.68 3.685715747e-01 3.685715747e-01 4.70 4.153772017e-01 4.153772017e-01 4.72 4.632093604e-01 4.632093604e-01 4.74 5.111737897e-01 5.111737897e-01 4.76 5.584006178e-01 5.584006178e-01 4.78 6.040456322e-01 6.040456322e-01 4.80 6.472788389e-01 6.472788389e-01 4.82 6.872616619e-01 6.872616619e-01 4.84 7.231725744e-01 7.231725744e-01 4.86 7.542336515e-01 7.542336515e-01 4.88 7.797292648e-01 7.797292648e-01 4.90 7.990267795e-01 7.990267795e-01 4.92 8.115949033e-01 8.115949033e-01 4.94 8.170168546e-01 8.170168546e-01 4.96 8.150071828e-01 8.150071828e-01 4.98 8.054236352e-01 8.054236352e-01 5.00 7.882790674e-01 7.882790674e-01 5.02 7.637496861e-01 7.637496861e-01 5.04 7.321848549e-01 7.321848549e-01 5.06 6.941111856e-01 6.941111856e-01 5.08 6.502323366e-01 6.502323366e-01 5.10 6.014282283e-01 6.014282283e-01 5.12 5.487421318e-01 5.487421318e-01 5.14 4.933606739e-01 4.933606739e-01 5.16 4.365809118e-01 4.365809118e-01 5.18 3.797670329e-01 3.797670329e-01 5.20 3.243098095e-01 3.243098095e-01 5.22 2.715695890e-01 2.715695890e-01 5.24 2.227766475e-01 2.227766475e-01 5.26 1.789435022e-01 1.789435022e-01 5.28 1.407553871e-01 1.407553871e-01 5.30 1.085325741e-01 1.085325741e-01 5.32 8.222714448e-02 8.222714448e-02 5.34 6.145722522e-02 6.145722522e-02 5.36 4.557851713e-02 4.557851713e-02 5.38 3.378328946e-02 3.378328946e-02 5.40 2.520944944e-02 2.520944944e-02 5.42 1.904044168e-02 1.904044168e-02 5.44 1.457907911e-02 1.457907911e-02 5.46 1.128478340e-02 1.128478340e-02 5.48 8.776319049e-03 8.776319049e-03 5.50 6.808805385e-03 6.808805385e-03 5.52 5.238168648e-03 5.238168648e-03 5.54 3.980064083e-03 3.980064083e-03 5.56 2.974355276e-03 2.974355276e-03 5.58 2.178178417e-03 2.178178417e-03 5.60 1.557408513e-03 1.557408513e-03 5.62 1.082582056e-03 1.082582056e-03 5.64 7.273566890e-04 7.273566890e-04 5.66 4.684286543e-04 4.684286543e-04 5.68 2.855723845e-04 2.855723845e-04 5.70 1.615734127e-04 1.615734127e-04 5.72 8.207441202e-05 8.207441202e-05 5.74 3.517657818e-05 3.517657818e-05 5.76 1.111378139e-05 1.111378139e-05 5.78 1.745747458e-06 1.745747458e-06 5.80 7.082789159e-09 7.082789159e-09 5.82 -5.686290558e-07 -5.686290558e-07 5.84 -6.225547523e-06 -6.225547523e-06 5.86 -2.323042032e-05 -2.323042032e-05 5.88 -5.784163624e-05 -5.784163624e-05 5.90 -1.163108395e-04 -1.163108395e-04 5.92 -2.048267340e-04 -2.048267340e-04 5.94 -3.296026583e-04 -3.296026583e-04 5.96 -4.967620702e-04 -4.967620702e-04 5.98 -7.122408894e-04 -7.122408894e-04 6.00 -4.576204031e-04 -4.874309367e-04