# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni-Fe # implementation = 2025--Sharifi-H--Cu-Ni-Fe--LAMMPS--ipr1 # composition = CuFeNi2 # 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 2025-07-01 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 7.250657501e+02 7.250657501e+02 1.00 6.827456960e+02 6.827456960e+02 1.02 6.425596107e+02 6.425596107e+02 1.04 6.039143201e+02 6.039143201e+02 1.06 5.664854060e+02 5.664854060e+02 1.08 5.301298959e+02 5.301298959e+02 1.10 4.948216950e+02 4.948216950e+02 1.12 4.606046608e+02 4.606046608e+02 1.14 4.275591617e+02 4.275591617e+02 1.16 3.957789017e+02 3.957789017e+02 1.18 3.653554671e+02 3.653554671e+02 1.20 3.363685780e+02 3.363685780e+02 1.22 3.088805217e+02 3.088805217e+02 1.24 2.829335674e+02 2.829335674e+02 1.26 2.585494586e+02 2.585494586e+02 1.28 2.357302991e+02 2.357302991e+02 1.30 2.144603075e+02 2.144603075e+02 1.32 1.947080765e+02 1.947080765e+02 1.34 1.764290540e+02 1.764290540e+02 1.36 1.595680563e+02 1.595680563e+02 1.38 1.440616883e+02 1.440616883e+02 1.40 1.298405830e+02 1.298405830e+02 1.42 1.168314138e+02 1.168314138e+02 1.44 1.049586564e+02 1.049586564e+02 1.46 9.414609169e+01 9.414609169e+01 1.48 8.431806127e+01 8.431806127e+01 1.50 7.540048627e+01 7.540048627e+01 1.52 6.732167250e+01 6.732167250e+01 1.54 6.001292302e+01 6.001292302e+01 1.56 5.340898081e+01 5.340898081e+01 1.58 4.744830104e+01 4.744830104e+01 1.60 4.207322889e+01 4.207322889e+01 1.62 3.723007620e+01 3.723007620e+01 1.64 3.286911197e+01 3.286911197e+01 1.66 2.894450253e+01 2.894450253e+01 1.68 2.541419946e+01 2.541419946e+01 1.70 2.223978701e+01 2.223978701e+01 1.72 1.938630025e+01 1.938630025e+01 1.74 1.682202461e+01 1.682202461e+01 1.76 1.451827766e+01 1.451827766e+01 1.78 1.244917644e+01 1.244917644e+01 1.80 1.059141788e+01 1.059141788e+01 1.82 8.924068129e+00 8.924068129e+00 1.84 7.428299520e+00 7.428299520e+00 1.86 6.087138231e+00 6.087138231e+00 1.88 4.885292702e+00 4.885292702e+00 1.90 3.809002211e+00 3.809002211e+00 1.92 2.845896643e+00 2.845896643e+00 1.94 1.984862005e+00 1.984862005e+00 1.96 1.215877380e+00 1.215877380e+00 1.98 5.298747272e-01 5.298747272e-01 2.00 -8.135164803e-02 -8.135164803e-02 2.02 -6.252244496e-01 -6.252244496e-01 2.04 -1.108455765e+00 -1.108455765e+00 2.06 -1.537112767e+00 -1.537112767e+00 2.08 -1.916677496e+00 -1.916677496e+00 2.10 -2.252106241e+00 -2.252106241e+00 2.12 -2.547885185e+00 -2.547885185e+00 2.14 -2.808063096e+00 -2.808063096e+00 2.16 -3.036290465e+00 -3.036290465e+00 2.18 -3.235855769e+00 -3.235855769e+00 2.20 -3.409718365e+00 -3.409718365e+00 2.22 -3.560542530e+00 -3.560542530e+00 2.24 -3.690725983e+00 -3.690725983e+00 2.26 -3.802425410e+00 -3.802425410e+00 2.28 -3.897579429e+00 -3.897579429e+00 2.30 -3.977859394e+00 -3.977859394e+00 2.32 -4.044605658e+00 -4.044605658e+00 2.34 -4.099018920e+00 -4.099018920e+00 2.36 -4.142199439e+00 -4.142199439e+00 2.38 -4.175155531e+00 -4.175155531e+00 2.40 -4.198811325e+00 -4.198811325e+00 2.42 -4.214015642e+00 -4.214015642e+00 2.44 -4.221551666e+00 -4.221551666e+00 2.46 -4.222137640e+00 -4.222137640e+00 2.48 -4.216431309e+00 -4.216431309e+00 2.50 -4.205035089e+00 -4.205035089e+00 2.52 -4.188500778e+00 -4.188500778e+00 2.54 -4.167333883e+00 -4.167333883e+00 2.56 -4.141997562e+00 -4.141997562e+00 2.58 -4.112916236e+00 -4.112916236e+00 2.60 -4.080478889e+00 -4.080478889e+00 2.62 -4.045042082e+00 -4.045042082e+00 2.64 -4.006932710e+00 -4.006932710e+00 2.66 -3.966450525e+00 -3.966450525e+00 2.68 -3.923870433e+00 -3.923870433e+00 2.70 -3.879444602e+00 -3.879444602e+00 2.72 -3.833404379e+00 -3.833404379e+00 2.74 -3.785962049e+00 -3.785962049e+00 2.76 -3.737312434e+00 -3.737312434e+00 2.78 -3.687634359e+00 -3.687634359e+00 2.80 -3.637091989e+00 -3.637091989e+00 2.82 -3.585836044e+00 -3.585836044e+00 2.84 -3.534004914e+00 -3.534004914e+00 2.86 -3.481725676e+00 -3.481725676e+00 2.88 -3.429115016e+00 -3.429115016e+00 2.90 -3.376280075e+00 -3.376280075e+00 2.92 -3.323319220e+00 -3.323319220e+00 2.94 -3.270322741e+00 -3.270322741e+00 2.96 -3.217373494e+00 -3.217373494e+00 2.98 -3.164547476e+00 -3.164547476e+00 3.00 -3.111914363e+00 -3.111914363e+00 3.02 -3.059538612e+00 -3.059538612e+00 3.04 -3.007486507e+00 -3.007486507e+00 3.06 -2.955814439e+00 -2.955814439e+00 3.08 -2.904539071e+00 -2.904539071e+00 3.10 -2.853725035e+00 -2.853725035e+00 3.12 -2.803413158e+00 -2.803413158e+00 3.14 -2.753640092e+00 -2.753640092e+00 3.16 -2.704438973e+00 -2.704438973e+00 3.18 -2.655839641e+00 -2.655839641e+00 3.20 -2.607868838e+00 -2.607868838e+00 3.22 -2.560550389e+00 -2.560550389e+00 3.24 -2.513905363e+00 -2.513905363e+00 3.26 -2.467952219e+00 -2.467952219e+00 3.28 -2.422706940e+00 -2.422706940e+00 3.30 -2.378183154e+00 -2.378183154e+00 3.32 -2.334392247e+00 -2.334392247e+00 3.34 -2.291343458e+00 -2.291343458e+00 3.36 -2.249043978e+00 -2.249043978e+00 3.38 -2.207499036e+00 -2.207499036e+00 3.40 -2.166711981e+00 -2.166711981e+00 3.42 -2.126684358e+00 -2.126684358e+00 3.44 -2.087415990e+00 -2.087415990e+00 3.46 -2.048905045e+00 -2.048905045e+00 3.48 -2.011148114e+00 -2.011148114e+00 3.50 -1.974140280e+00 -1.974140280e+00 3.52 -1.937875191e+00 -1.937875191e+00 3.54 -1.902345132e+00 -1.902345132e+00 3.56 -1.867541094e+00 -1.867541094e+00 3.58 -1.833452851e+00 -1.833452851e+00 3.60 -1.800069022e+00 -1.800069022e+00 3.62 -1.767377146e+00 -1.767377146e+00 3.64 -1.735363744e+00 -1.735363744e+00 3.66 -1.704014382e+00 -1.704014382e+00 3.68 -1.673313734e+00 -1.673313734e+00 3.70 -1.643245642e+00 -1.643245642e+00 3.72 -1.613793171e+00 -1.613793171e+00 3.74 -1.584938672e+00 -1.584938672e+00 3.76 -1.556663843e+00 -1.556663843e+00 3.78 -1.528949804e+00 -1.528949804e+00 3.80 -1.501777177e+00 -1.501777177e+00 3.82 -1.475126186e+00 -1.475126186e+00 3.84 -1.448976775e+00 -1.448976775e+00 3.86 -1.423308749e+00 -1.423308749e+00 3.88 -1.398101937e+00 -1.398101937e+00 3.90 -1.373336376e+00 -1.373336376e+00 3.92 -1.348992522e+00 -1.348992522e+00 3.94 -1.325051465e+00 -1.325051465e+00 3.96 -1.301495158e+00 -1.301495158e+00 3.98 -1.278306640e+00 -1.278306640e+00 4.00 -1.255470239e+00 -1.255470239e+00 4.02 -1.232971760e+00 -1.232971760e+00 4.04 -1.210798628e+00 -1.210798628e+00 4.06 -1.188939987e+00 -1.188939987e+00 4.08 -1.167386749e+00 -1.167386749e+00 4.10 -1.146131594e+00 -1.146131594e+00 4.12 -1.125168907e+00 -1.125168907e+00 4.14 -1.104494672e+00 -1.104494672e+00 4.16 -1.084106320e+00 -1.084106320e+00 4.18 -1.064002542e+00 -1.064002542e+00 4.20 -1.044183084e+00 -1.044183084e+00 4.22 -1.024648519e+00 -1.024648519e+00 4.24 -1.005400025e+00 -1.005400025e+00 4.26 -9.862326165e-01 -9.862326165e-01 4.28 -9.629410737e-01 -9.629410737e-01 4.30 -9.224114493e-01 -9.224114493e-01 4.32 -8.506048464e-01 -8.506048464e-01 4.34 -8.144594109e-01 -8.144594109e-01 4.36 -7.994060676e-01 -7.994060676e-01 4.38 -7.845989792e-01 -7.845989792e-01 4.40 -7.700385731e-01 -7.700385731e-01 4.42 -7.557248200e-01 -7.557248200e-01 4.44 -7.416572474e-01 -7.416572474e-01 4.46 -7.278349638e-01 -7.278349638e-01 4.48 -7.142566924e-01 -7.142566924e-01 4.50 -7.009208101e-01 -7.009208101e-01 4.52 -6.878253891e-01 -6.878253891e-01 4.54 -6.749682384e-01 -6.749682384e-01 4.56 -6.623469442e-01 -6.623469442e-01 4.58 -6.499589072e-01 -6.499589072e-01 4.60 -6.378013762e-01 -6.378013762e-01 4.62 -6.258714780e-01 -6.258714780e-01 4.64 -6.141662429e-01 -6.141662429e-01 4.66 -6.026826263e-01 -6.026826263e-01 4.68 -5.914175265e-01 -5.914175265e-01 4.70 -5.803677997e-01 -5.803677997e-01 4.72 -5.695302719e-01 -5.695302719e-01 4.74 -5.589017483e-01 -5.589017483e-01 4.76 -5.484790214e-01 -5.484790214e-01 4.78 -5.382588773e-01 -5.382588773e-01 4.80 -5.282381006e-01 -5.282381006e-01 4.82 -5.184134790e-01 -5.184134790e-01 4.84 -5.087818067e-01 -5.087818067e-01 4.86 -4.993398875e-01 -4.993398875e-01 4.88 -4.900845378e-01 -4.900845378e-01 4.90 -4.810125886e-01 -4.810125886e-01 4.92 -4.714834801e-01 -4.714834801e-01 4.94 -4.531901019e-01 -4.531901019e-01 4.96 -3.999695218e-01 -3.999695218e-01 4.98 -2.505718131e-01 -2.505718131e-01 5.00 -2.300485134e-22 -2.299082045e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 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