# 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 = CoCrFe2 # 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 2.306539220e+02 2.306539220e+02 1.10 2.125172521e+02 2.125172521e+02 1.12 1.955762573e+02 1.955762573e+02 1.14 1.799330109e+02 1.799330109e+02 1.16 1.657184637e+02 1.657184637e+02 1.18 1.525589809e+02 1.525589809e+02 1.20 1.407978656e+02 1.407978656e+02 1.22 1.296025786e+02 1.296025786e+02 1.24 1.191953736e+02 1.191953736e+02 1.26 1.097632074e+02 1.097632029e+02 1.28 1.010137781e+02 1.010137781e+02 1.30 9.294206974e+01 9.294206974e+01 1.32 8.536331833e+01 8.536331833e+01 1.34 7.861314989e+01 7.861314989e+01 1.36 7.212014565e+01 7.212014565e+01 1.38 6.614232947e+01 6.614232947e+01 1.40 6.059702342e+01 6.059702342e+01 1.42 5.547123536e+01 5.547123536e+01 1.44 5.097071675e+01 5.097071675e+01 1.46 4.673914618e+01 4.673914618e+01 1.48 4.264182260e+01 4.264182260e+01 1.50 3.885326939e+01 3.885326939e+01 1.52 3.543649981e+01 3.543649981e+01 1.54 3.235453910e+01 3.235453910e+01 1.56 2.933229066e+01 2.933229066e+01 1.58 2.656739181e+01 2.656739181e+01 1.60 2.398133866e+01 2.398133866e+01 1.62 2.159095153e+01 2.159095153e+01 1.64 1.938174216e+01 1.938174216e+01 1.66 1.742364615e+01 1.742364615e+01 1.68 1.561194760e+01 1.561194760e+01 1.70 1.385479592e+01 1.385479592e+01 1.72 1.223284176e+01 1.223284176e+01 1.74 1.081999620e+01 1.081999620e+01 1.76 9.431785782e+00 9.431785782e+00 1.78 8.152184505e+00 8.152184505e+00 1.80 6.973344789e+00 6.973344789e+00 1.82 5.999806577e+00 5.999806577e+00 1.84 4.991212294e+00 4.991212294e+00 1.86 4.230427079e+00 4.230427079e+00 1.88 3.364078662e+00 3.364078662e+00 1.90 2.569170560e+00 2.569170560e+00 1.92 1.840547773e+00 1.840547773e+00 1.94 1.216309512e+00 1.216309512e+00 1.96 6.026209296e-01 6.026209296e-01 1.98 4.218289838e-02 4.218289838e-02 2.00 -4.688571695e-01 -4.688571695e-01 2.02 -9.340779513e-01 -9.340779513e-01 2.04 -1.356804628e+00 -1.356804628e+00 2.06 -1.740127650e+00 -1.740127650e+00 2.08 -2.086920005e+00 -2.086920005e+00 2.10 -2.324940066e+00 -2.324939958e+00 2.12 -2.571525566e+00 -2.571525566e+00 2.14 -2.832626441e+00 -2.832626441e+00 2.16 -3.066142069e+00 -3.066142069e+00 2.18 -3.274125164e+00 -3.274125164e+00 2.20 -3.458485613e+00 -3.458485613e+00 2.22 -3.621000585e+00 -3.621000585e+00 2.24 -3.677521398e+00 -3.677521398e+00 2.26 -3.807524369e+00 -3.807524369e+00 2.28 -3.919841355e+00 -3.919841355e+00 2.30 -4.015839523e+00 -4.015839523e+00 2.32 -4.096791196e+00 -4.096791196e+00 2.34 -4.163880411e+00 -4.163880411e+00 2.36 -4.218208993e+00 -4.218208993e+00 2.38 -4.260802202e+00 -4.260802202e+00 2.40 -4.292613974e+00 -4.292613974e+00 2.42 -4.314531790e+00 -4.314531790e+00 2.44 -4.237376949e+00 -4.237376949e+00 2.46 -4.248009287e+00 -4.248009287e+00 2.48 -4.250645318e+00 -4.250645318e+00 2.50 -4.245976291e+00 -4.245976291e+00 2.52 -4.150173621e+00 -4.150173621e+00 2.54 -4.138362353e+00 -4.138362353e+00 2.56 -4.120673182e+00 -4.120673182e+00 2.58 -4.097645823e+00 -4.097645823e+00 2.60 -4.069781656e+00 -4.069781656e+00 2.62 -4.037546287e+00 -4.037546287e+00 2.64 -4.001371942e+00 -4.001371942e+00 2.66 -3.961659697e+00 -3.961659697e+00 2.68 -3.918781562e+00 -3.918781562e+00 2.70 -3.873082421e+00 -3.873082421e+00 2.72 -3.824881851e+00 -3.824881851e+00 2.74 -3.752793809e+00 -3.752793809e+00 2.76 -3.701771768e+00 -3.701771768e+00 2.78 -3.648992006e+00 -3.648992006e+00 2.80 -3.594693496e+00 -3.594693496e+00 2.82 -3.539097038e+00 -3.539097038e+00 2.84 -3.482406485e+00 -3.482406485e+00 2.86 -3.424809880e+00 -3.424809880e+00 2.88 -3.366480525e+00 -3.366480525e+00 2.90 -3.307577975e+00 -3.307577975e+00 2.92 -3.248248968e+00 -3.248248968e+00 2.94 -3.188628301e+00 -3.188628301e+00 2.96 -3.128839637e+00 -3.128839637e+00 2.98 -3.068996273e+00 -3.068996273e+00 3.00 -3.009201843e+00 -3.009201843e+00 3.02 -2.949550990e+00 -2.949550990e+00 3.04 -2.890129984e+00 -2.890129984e+00 3.06 -2.831017304e+00 -2.831017304e+00 3.08 -2.772284181e+00 -2.772284181e+00 3.10 -2.713995108e+00 -2.713995108e+00 3.12 -2.656208311e+00 -2.656208311e+00 3.14 -2.598976195e+00 -2.598976195e+00 3.16 -2.513144440e+00 -2.513144440e+00 3.18 -2.458698623e+00 -2.458698623e+00 3.20 -2.404852764e+00 -2.404852764e+00 3.22 -2.351644098e+00 -2.351644098e+00 3.24 -2.299105647e+00 -2.299105647e+00 3.26 -2.247266518e+00 -2.247266518e+00 3.28 -2.196152194e+00 -2.196152194e+00 3.30 -2.058650593e+00 -2.058650593e+00 3.32 -2.013467756e+00 -2.013467756e+00 3.34 -1.968843820e+00 -1.968843820e+00 3.36 -1.924803463e+00 -1.924803463e+00 3.38 -1.881368363e+00 -1.881368363e+00 3.40 -1.838557411e+00 -1.838557411e+00 3.42 -1.796386920e+00 -1.796386920e+00 3.44 -1.754870808e+00 -1.754870808e+00 3.46 -1.714020781e+00 -1.714020781e+00 3.48 -1.673846502e+00 -1.673846502e+00 3.50 -1.634355738e+00 -1.634355738e+00 3.52 -1.595554517e+00 -1.595554517e+00 3.54 -1.557447255e+00 -1.557447255e+00 3.56 -1.520036891e+00 -1.520036891e+00 3.58 -1.483325000e+00 -1.483325000e+00 3.60 -1.447311910e+00 -1.447311910e+00 3.62 -1.411996801e+00 -1.411996801e+00 3.64 -1.377377807e+00 -1.377377807e+00 3.66 -1.343452102e+00 -1.343452102e+00 3.68 -1.310215988e+00 -1.310215988e+00 3.70 -1.277664973e+00 -1.277664973e+00 3.72 -1.245793846e+00 -1.245793846e+00 3.74 -1.214596741e+00 -1.214596741e+00 3.76 -1.184067206e+00 -1.184067206e+00 3.78 -1.154198259e+00 -1.154198259e+00 3.80 -1.124982448e+00 -1.124982448e+00 3.82 -1.096411896e+00 -1.096411896e+00 3.84 -1.068478353e+00 -1.068478353e+00 3.86 -9.963513205e-01 -9.963513205e-01 3.88 -9.716060183e-01 -9.716060183e-01 3.90 -9.473874789e-01 -9.473874789e-01 3.92 -9.236899521e-01 -9.236899521e-01 3.94 -9.005073553e-01 -9.005073553e-01 3.96 -8.778333099e-01 -8.778333099e-01 3.98 -8.556611756e-01 -8.556611756e-01 4.00 -8.339840814e-01 -8.339840814e-01 4.02 -8.127949556e-01 -8.127949556e-01 4.04 -7.920865529e-01 -7.920865529e-01 4.06 -7.718514795e-01 -7.718514795e-01 4.08 -7.520822171e-01 -7.520822171e-01 4.10 -7.327711440e-01 -7.327711440e-01 4.12 -7.139105559e-01 -7.139105559e-01 4.14 -6.954926840e-01 -6.954926840e-01 4.16 -6.775097125e-01 -6.775097125e-01 4.18 -6.599537946e-01 -6.599537946e-01 4.20 -6.428170667e-01 -6.428170667e-01 4.22 -6.260916621e-01 -6.260916621e-01 4.24 -6.097697235e-01 -6.097697235e-01 4.26 -5.938434140e-01 -5.938434140e-01 4.28 -5.783049279e-01 -5.783049279e-01 4.30 -5.631464998e-01 -5.631464998e-01 4.32 -5.483604134e-01 -5.483604134e-01 4.34 -5.339390094e-01 -5.339390094e-01 4.36 -5.198746927e-01 -5.198746927e-01 4.38 -5.061599387e-01 -5.061599387e-01 4.40 -4.927872991e-01 -4.927872991e-01 4.42 -4.797494073e-01 -4.797494073e-01 4.44 -4.670389830e-01 -4.670389830e-01 4.46 -4.546488363e-01 -4.546488363e-01 4.48 -4.425718716e-01 -4.425718716e-01 4.50 -4.308010904e-01 -4.308010904e-01 4.52 -4.193295946e-01 -4.193295946e-01 4.54 -4.081505887e-01 -4.081505887e-01 4.56 -3.972573818e-01 -3.972573818e-01 4.58 -3.866433896e-01 -3.866433896e-01 4.60 -3.763021356e-01 -3.763021356e-01 4.62 -3.662272525e-01 -3.662272525e-01 4.64 -3.564124827e-01 -3.564124827e-01 4.66 -3.468516796e-01 -3.468516796e-01 4.68 -3.375388073e-01 -3.375388073e-01 4.70 -3.284679413e-01 -3.284679413e-01 4.72 -3.196332686e-01 -3.196332686e-01 4.74 -3.110290870e-01 -3.110290870e-01 4.76 -3.026498056e-01 -3.026498056e-01 4.78 -2.944899434e-01 -2.944899434e-01 4.80 -2.865441298e-01 -2.865441298e-01 4.82 -2.788071031e-01 -2.788071031e-01 4.84 -2.712737097e-01 -2.712737097e-01 4.86 -2.639389039e-01 -2.639389039e-01 4.88 -2.567977461e-01 -2.567977461e-01 4.90 -2.498454021e-01 -2.498454021e-01 4.92 -2.430771419e-01 -2.430771419e-01 4.94 -2.364883386e-01 -2.364883386e-01 4.96 -2.300744667e-01 -2.300744667e-01 4.98 -2.238311013e-01 -2.238311013e-01 5.00 -2.177539163e-01 -2.177539163e-01 5.02 -2.118386831e-01 -2.118386831e-01 5.04 -2.060812694e-01 -2.060812694e-01 5.06 -2.004776373e-01 -2.004776373e-01 5.08 -1.950238422e-01 -1.950238422e-01 5.10 -1.897160308e-01 -1.897160308e-01 5.12 -1.845504401e-01 -1.845504401e-01 5.14 -1.795233953e-01 -1.795233953e-01 5.16 -1.746313088e-01 -1.746313088e-01 5.18 -1.698706781e-01 -1.698706781e-01 5.20 -1.652380845e-01 -1.652380845e-01 5.22 -1.607301916e-01 -1.607301916e-01 5.24 -1.563437435e-01 -1.563437435e-01 5.26 -1.520755634e-01 -1.520755634e-01 5.28 -1.479225518e-01 -1.479225518e-01 5.30 -1.438816853e-01 -1.438816853e-01 5.32 -1.399500150e-01 -1.399500150e-01 5.34 -1.361246644e-01 -1.361246644e-01 5.36 -1.324028289e-01 -1.324028289e-01 5.38 -1.287817732e-01 -1.287817732e-01 5.40 -1.252588307e-01 -1.252588307e-01 5.42 -1.218314014e-01 -1.218314014e-01 5.44 -1.184969509e-01 -1.184969509e-01 5.46 -9.289212960e-02 -9.289212960e-02 5.48 -9.042526099e-02 -9.042526099e-02 5.50 -8.802299763e-02 -8.802299763e-02 5.52 -8.568369639e-02 -8.568369639e-02 5.54 -8.340575327e-02 -8.340575327e-02 5.56 -8.118760258e-02 -8.118760258e-02 5.58 -7.902771622e-02 -7.902771622e-02 5.60 -7.692460289e-02 -7.692460289e-02 5.62 -7.487680732e-02 -7.487680732e-02 5.64 -7.288290954e-02 -7.288290954e-02 5.66 -7.094152410e-02 -7.094152410e-02 5.68 -6.905129938e-02 -6.905129938e-02 5.70 -6.721091683e-02 -6.721091683e-02 5.72 -6.541909030e-02 -6.541909030e-02 5.74 -6.367456527e-02 -6.367456527e-02 5.76 -6.197611820e-02 -6.197611820e-02 5.78 -6.032255585e-02 -6.032255585e-02 5.80 -5.871271457e-02 -5.871271457e-02 5.82 -5.714545968e-02 -5.714545968e-02 5.84 -5.561968477e-02 -5.561968477e-02 5.86 -5.413431110e-02 -5.413431110e-02 5.88 -5.268828695e-02 -5.268828695e-02 5.90 -5.128058698e-02 -5.128058698e-02 5.92 -4.991021169e-02 -4.991021169e-02 5.94 -4.857618672e-02 -4.857618672e-02 5.96 -4.727756236e-02 -4.727756236e-02 5.98 -4.601341290e-02 -4.601341290e-02 6.00 -4.478283611e-02 -4.478283611e-02