# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = FeMn2Ni # 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 1.996827962e+02 1.996827962e+02 1.10 1.840622296e+02 1.840622296e+02 1.12 1.694667745e+02 1.694667745e+02 1.14 1.559850329e+02 1.559850329e+02 1.16 1.437325313e+02 1.437325313e+02 1.18 1.323872488e+02 1.323872488e+02 1.20 1.222472007e+02 1.222472007e+02 1.22 1.125903775e+02 1.125903775e+02 1.24 1.036096531e+02 1.036096531e+02 1.26 9.546945294e+01 9.546944537e+01 1.28 8.791540062e+01 8.791540062e+01 1.30 8.094575644e+01 8.094575644e+01 1.32 7.439807279e+01 7.439807279e+01 1.34 6.856657557e+01 6.856657557e+01 1.36 6.295322125e+01 6.295322125e+01 1.38 5.778380205e+01 5.778380205e+01 1.40 5.298650488e+01 5.298650488e+01 1.42 4.855056583e+01 4.855056583e+01 1.44 4.465456019e+01 4.465456019e+01 1.46 4.099176758e+01 4.099176758e+01 1.48 3.744173658e+01 3.744173658e+01 1.50 3.415789043e+01 3.415789043e+01 1.52 3.119581485e+01 3.119581485e+01 1.54 2.852190371e+01 2.852190371e+01 1.56 2.589884514e+01 2.589884514e+01 1.58 2.349825481e+01 2.349825481e+01 1.60 2.125157883e+01 2.125157883e+01 1.62 1.917381965e+01 1.917381965e+01 1.64 1.725250989e+01 1.725250989e+01 1.66 1.554913155e+01 1.554913155e+01 1.68 1.397136114e+01 1.397136114e+01 1.70 1.244054638e+01 1.244054638e+01 1.72 1.102660711e+01 1.102660711e+01 1.74 9.794529502e+00 9.794529502e+00 1.76 8.582672034e+00 8.582672034e+00 1.78 7.464796657e+00 7.464796657e+00 1.80 6.434141311e+00 6.434141311e+00 1.82 5.582383166e+00 5.582383166e+00 1.84 4.699093650e+00 4.699093650e+00 1.86 4.030551654e+00 4.030551654e+00 1.88 3.270601981e+00 3.270601981e+00 1.90 2.572596696e+00 2.572596696e+00 1.92 1.932089072e+00 1.932089072e+00 1.94 1.382562503e+00 1.382562503e+00 1.96 8.417906473e-01 8.417906473e-01 1.98 3.472701145e-01 3.472701145e-01 2.00 -1.043255745e-01 -1.043255745e-01 2.02 -5.160871643e-01 -5.160871643e-01 2.04 -8.908872001e-01 -8.908872001e-01 2.06 -1.231396150e+00 -1.231396150e+00 2.08 -1.540097238e+00 -1.540097238e+00 2.10 -1.754400496e+00 -1.754400314e+00 2.12 -1.975923032e+00 -1.975923032e+00 2.14 -2.209854433e+00 -2.209854433e+00 2.16 -2.419718708e+00 -2.419718708e+00 2.18 -2.607292161e+00 -2.607292161e+00 2.20 -2.774228029e+00 -2.774228029e+00 2.22 -2.922065175e+00 -2.922065175e+00 2.24 -2.976982519e+00 -2.976982519e+00 2.26 -3.096357408e+00 -3.096357408e+00 2.28 -3.200235545e+00 -3.200235545e+00 2.30 -3.289802461e+00 -3.289802461e+00 2.32 -3.366161863e+00 -3.366161863e+00 2.34 -3.430341276e+00 -3.430341276e+00 2.36 -3.483297266e+00 -3.483297266e+00 2.38 -3.525920299e+00 -3.525920299e+00 2.40 -3.559039252e+00 -3.559039252e+00 2.42 -3.583425601e+00 -3.583425601e+00 2.44 -3.520957263e+00 -3.520957263e+00 2.46 -3.535296093e+00 -3.535296093e+00 2.48 -3.542553252e+00 -3.542553252e+00 2.50 -3.543330691e+00 -3.543330691e+00 2.52 -3.464990628e+00 -3.464990628e+00 2.54 -3.459269440e+00 -3.459269440e+00 2.56 -3.448317143e+00 -3.448317143e+00 2.58 -3.432604345e+00 -3.432604345e+00 2.60 -3.412568486e+00 -3.412568486e+00 2.62 -3.388616040e+00 -3.388616040e+00 2.64 -3.361124582e+00 -3.361124582e+00 2.66 -3.330444705e+00 -3.330444705e+00 2.68 -3.296901819e+00 -3.296901819e+00 2.70 -3.260797824e+00 -3.260797824e+00 2.72 -3.222412676e+00 -3.222412676e+00 2.74 -3.162990174e+00 -3.162990174e+00 2.76 -3.121952167e+00 -3.121952167e+00 2.78 -3.079286051e+00 -3.079286051e+00 2.80 -3.035201829e+00 -3.035201829e+00 2.82 -2.989893718e+00 -2.989893718e+00 2.84 -2.943541210e+00 -2.943541210e+00 2.86 -2.896310050e+00 -2.896310050e+00 2.88 -2.848353163e+00 -2.848353163e+00 2.90 -2.799811511e+00 -2.799811511e+00 2.92 -2.750814899e+00 -2.750814899e+00 2.94 -2.701482728e+00 -2.701482728e+00 2.96 -2.651924701e+00 -2.651924701e+00 2.98 -2.602241479e+00 -2.602241479e+00 3.00 -2.552525294e+00 -2.552525294e+00 3.02 -2.502860533e+00 -2.502860533e+00 3.04 -2.453324267e+00 -2.453324267e+00 3.06 -2.403986759e+00 -2.403986759e+00 3.08 -2.354911938e+00 -2.354911938e+00 3.10 -2.306157830e+00 -2.306157830e+00 3.12 -2.257776982e+00 -2.257776982e+00 3.14 -2.209816835e+00 -2.209816835e+00 3.16 -2.136738873e+00 -2.136738873e+00 3.18 -2.091089882e+00 -2.091089882e+00 3.20 -2.045906264e+00 -2.045906264e+00 3.22 -2.001222103e+00 -2.001222103e+00 3.24 -1.957067777e+00 -1.957067777e+00 3.26 -1.913470221e+00 -1.913470221e+00 3.28 -1.870453179e+00 -1.870453179e+00 3.30 -1.752541998e+00 -1.752541998e+00 3.32 -1.714558369e+00 -1.714558369e+00 3.34 -1.677017827e+00 -1.677017827e+00 3.36 -1.639943101e+00 -1.639943101e+00 3.38 -1.603354284e+00 -1.603354284e+00 3.40 -1.567269018e+00 -1.567269018e+00 3.42 -1.531702674e+00 -1.531702674e+00 3.44 -1.496668514e+00 -1.496668514e+00 3.46 -1.462177848e+00 -1.462177848e+00 3.48 -1.428240180e+00 -1.428240180e+00 3.50 -1.394863342e+00 -1.394863342e+00 3.52 -1.362053621e+00 -1.362053621e+00 3.54 -1.329815879e+00 -1.329815879e+00 3.56 -1.298153665e+00 -1.298153665e+00 3.58 -1.267069315e+00 -1.267069315e+00 3.60 -1.236564054e+00 -1.236564054e+00 3.62 -1.206638086e+00 -1.206638086e+00 3.64 -1.177290676e+00 -1.177290676e+00 3.66 -1.148520230e+00 -1.148520230e+00 3.68 -1.120324374e+00 -1.120324374e+00 3.70 -1.092700016e+00 -1.092700016e+00 3.72 -1.065643415e+00 -1.065643415e+00 3.74 -1.039150239e+00 -1.039150239e+00 3.76 -1.013215625e+00 -1.013215625e+00 3.78 -9.878342237e-01 -9.878342237e-01 3.80 -9.630002559e-01 -9.630002559e-01 3.82 -9.387075530e-01 -9.387075530e-01 3.84 -9.149496011e-01 -9.149496011e-01 3.86 -8.524138399e-01 -8.524138399e-01 3.88 -8.314007013e-01 -8.314007013e-01 3.90 -8.108281941e-01 -8.108281941e-01 3.92 -7.906918908e-01 -7.906918908e-01 3.94 -7.709870577e-01 -7.709870577e-01 3.96 -7.517086868e-01 -7.517086868e-01 3.98 -7.328515263e-01 -7.328515263e-01 4.00 -7.144101077e-01 -7.144101077e-01 4.02 -6.963787726e-01 -6.963787726e-01 4.04 -6.787516962e-01 -6.787516962e-01 4.06 -6.615229099e-01 -6.615229099e-01 4.08 -6.446863225e-01 -6.446863225e-01 4.10 -6.282357387e-01 -6.282357387e-01 4.12 -6.121648777e-01 -6.121648777e-01 4.14 -5.964673897e-01 -5.964673897e-01 4.16 -5.811368707e-01 -5.811368707e-01 4.18 -5.661668773e-01 -5.661668773e-01 4.20 -5.515509394e-01 -5.515509394e-01 4.22 -5.372825722e-01 -5.372825722e-01 4.24 -5.233552878e-01 -5.233552878e-01 4.26 -5.097626047e-01 -5.097626047e-01 4.28 -4.964980576e-01 -4.964980576e-01 4.30 -4.835552059e-01 -4.835552059e-01 4.32 -4.709276413e-01 -4.709276413e-01 4.34 -4.586089953e-01 -4.586089953e-01 4.36 -4.465929456e-01 -4.465929456e-01 4.38 -4.348732217e-01 -4.348732217e-01 4.40 -4.234436108e-01 -4.234436108e-01 4.42 -4.122979620e-01 -4.122979620e-01 4.44 -4.014301911e-01 -4.014301911e-01 4.46 -3.908342844e-01 -3.908342844e-01 4.48 -3.805043019e-01 -3.805043019e-01 4.50 -3.704343809e-01 -3.704343809e-01 4.52 -3.606187379e-01 -3.606187379e-01 4.54 -3.510516717e-01 -3.510516717e-01 4.56 -3.417275651e-01 -3.417275651e-01 4.58 -3.326408867e-01 -3.326408867e-01 4.60 -3.237861924e-01 -3.237861924e-01 4.62 -3.151581264e-01 -3.151581264e-01 4.64 -3.067514226e-01 -3.067514226e-01 4.66 -2.985609050e-01 -2.985609050e-01 4.68 -2.905814885e-01 -2.905814885e-01 4.70 -2.828081792e-01 -2.828081792e-01 4.72 -2.752360745e-01 -2.752360745e-01 4.74 -2.678603634e-01 -2.678603634e-01 4.76 -2.606763260e-01 -2.606763260e-01 4.78 -2.536793340e-01 -2.536793340e-01 4.80 -2.468648496e-01 -2.468648496e-01 4.82 -2.402284253e-01 -2.402284253e-01 4.84 -2.337657037e-01 -2.337657037e-01 4.86 -2.274724163e-01 -2.274724163e-01 4.88 -2.213443831e-01 -2.213443831e-01 4.90 -2.153775118e-01 -2.153775118e-01 4.92 -2.095677967e-01 -2.095677967e-01 4.94 -2.039113182e-01 -2.039113182e-01 4.96 -1.984042411e-01 -1.984042411e-01 4.98 -1.930428144e-01 -1.930428144e-01 5.00 -1.878233696e-01 -1.878233696e-01 5.02 -1.827423197e-01 -1.827423197e-01 5.04 -1.777961582e-01 -1.777961582e-01 5.06 -1.729814580e-01 -1.729814580e-01 5.08 -1.682948699e-01 -1.682948699e-01 5.10 -1.637331214e-01 -1.637331214e-01 5.12 -1.592930158e-01 -1.592930158e-01 5.14 -1.549714304e-01 -1.549714304e-01 5.16 -1.507653159e-01 -1.507653159e-01 5.18 -1.466716943e-01 -1.466716943e-01 5.20 -1.426876585e-01 -1.426876585e-01 5.22 -1.388103702e-01 -1.388103702e-01 5.24 -1.350370592e-01 -1.350370592e-01 5.26 -1.313650219e-01 -1.313650219e-01 5.28 -1.277916199e-01 -1.277916199e-01 5.30 -1.243142789e-01 -1.243142789e-01 5.32 -1.209304873e-01 -1.209304873e-01 5.34 -1.176377949e-01 -1.176377949e-01 5.36 -1.144338121e-01 -1.144338121e-01 5.38 -1.113162078e-01 -1.113162078e-01 5.40 -1.082827090e-01 -1.082827090e-01 5.42 -1.053310990e-01 -1.053310990e-01 5.44 -1.024592165e-01 -1.024592165e-01 5.46 -8.007737200e-02 -8.007737200e-02 5.48 -7.796043603e-02 -7.796043603e-02 5.50 -7.589865619e-02 -7.589865619e-02 5.52 -7.389063880e-02 -7.389063880e-02 5.54 -7.193502299e-02 -7.193502299e-02 5.56 -7.003048014e-02 -7.003048014e-02 5.58 -6.817571317e-02 -6.817571317e-02 5.60 -6.636945597e-02 -6.636945597e-02 5.62 -6.461047273e-02 -6.461047273e-02 5.64 -6.289755733e-02 -6.289755733e-02 5.66 -6.122953276e-02 -6.122953276e-02 5.68 -5.960525045e-02 -5.960525045e-02 5.70 -5.802358972e-02 -5.802358972e-02 5.72 -5.648345719e-02 -5.648345719e-02 5.74 -5.498378614e-02 -5.498378614e-02 5.76 -5.352353600e-02 -5.352353600e-02 5.78 -5.210169174e-02 -5.210169174e-02 5.80 -5.071726331e-02 -5.071726331e-02 5.82 -4.936928511e-02 -4.936928511e-02 5.84 -4.805681545e-02 -4.805681545e-02 5.86 -4.677893596e-02 -4.677893596e-02 5.88 -4.553475114e-02 -4.553475114e-02 5.90 -4.432338779e-02 -4.432338779e-02 5.92 -4.314399452e-02 -4.314399452e-02 5.94 -4.199574124e-02 -4.199574124e-02 5.96 -4.087781870e-02 -4.087781870e-02 5.98 -3.978943796e-02 -3.978943796e-02 6.00 -3.872982996e-02 -3.872982996e-02