# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Co-Al # implementation = 2025--Sharifi-H--Cr-Co-Al--LAMMPS--ipr1 # composition = Al2CoCr # 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 2.631118211e+02 2.631118211e+02 1.00 2.399200122e+02 2.399200122e+02 1.02 2.189077408e+02 2.189077408e+02 1.04 1.998857037e+02 1.998857037e+02 1.06 1.826731032e+02 1.826731032e+02 1.08 1.670995626e+02 1.670995626e+02 1.10 1.530062588e+02 1.530062588e+02 1.12 1.402464613e+02 1.402464613e+02 1.14 1.286856289e+02 1.286856289e+02 1.16 1.182011796e+02 1.182011796e+02 1.18 1.086820326e+02 1.086820326e+02 1.20 1.000279970e+02 1.000279970e+02 1.22 9.214906133e+01 9.214906133e+01 1.24 8.496463381e+01 8.496463381e+01 1.26 7.840276247e+01 7.840276247e+01 1.28 7.239936098e+01 7.239936098e+01 1.30 6.689746107e+01 6.689746107e+01 1.32 6.184649920e+01 6.184649920e+01 1.34 5.720164753e+01 5.720164753e+01 1.36 5.292319399e+01 5.292319399e+01 1.38 4.897597183e+01 4.897597183e+01 1.40 4.532883773e+01 4.532883773e+01 1.42 4.195414900e+01 4.195414900e+01 1.44 3.882727636e+01 3.882727636e+01 1.46 3.592623738e+01 3.592623738e+01 1.48 3.323138844e+01 3.323138844e+01 1.50 3.072516047e+01 3.072516047e+01 1.52 2.839181670e+01 2.839181670e+01 1.54 2.621723767e+01 2.621723767e+01 1.56 2.418873183e+01 2.418873183e+01 1.58 2.229486894e+01 2.229486894e+01 1.60 2.052533358e+01 2.052533358e+01 1.62 1.887079672e+01 1.887079672e+01 1.64 1.732280332e+01 1.732280332e+01 1.66 1.587367375e+01 1.587367375e+01 1.68 1.451641773e+01 1.451641773e+01 1.70 1.324465908e+01 1.324465908e+01 1.72 1.205256991e+01 1.205256991e+01 1.74 1.093481133e+01 1.093481133e+01 1.76 9.886406122e+00 9.886406122e+00 1.78 8.902693116e+00 8.902693116e+00 1.80 7.979411453e+00 7.979411453e+00 1.82 7.112662684e+00 7.112662684e+00 1.84 6.298873741e+00 6.298873741e+00 1.86 5.534764941e+00 5.534764941e+00 1.88 4.817321874e+00 4.817321874e+00 1.90 4.143770698e+00 4.143770698e+00 1.92 3.511556320e+00 3.511556320e+00 1.94 2.918323090e+00 2.918323090e+00 1.96 2.361896650e+00 2.361896650e+00 1.98 1.840263947e+00 1.840263947e+00 2.00 1.351548522e+00 1.351548522e+00 2.02 8.939880267e-01 8.939880267e-01 2.04 4.659299106e-01 4.659299106e-01 2.06 6.587366449e-02 6.587366449e-02 2.08 -3.075797632e-01 -3.075797632e-01 2.10 -6.557675450e-01 -6.557675450e-01 2.12 -9.799678760e-01 -9.799678760e-01 2.14 -1.281402450e+00 -1.281402450e+00 2.16 -1.561238815e+00 -1.561238815e+00 2.18 -1.820592612e+00 -1.820592612e+00 2.20 -2.060529712e+00 -2.060529712e+00 2.22 -2.282068260e+00 -2.282068260e+00 2.24 -2.486180619e+00 -2.486180619e+00 2.26 -2.673795243e+00 -2.673795243e+00 2.28 -2.845798467e+00 -2.845798467e+00 2.30 -3.003036219e+00 -3.003036219e+00 2.32 -3.146315672e+00 -3.146315672e+00 2.34 -3.276406827e+00 -3.276406827e+00 2.36 -3.394044030e+00 -3.394044030e+00 2.38 -3.499927441e+00 -3.499927441e+00 2.40 -3.594724435e+00 -3.594724435e+00 2.42 -3.679070961e+00 -3.679070961e+00 2.44 -3.753572844e+00 -3.753572844e+00 2.46 -3.818807034e+00 -3.818807034e+00 2.48 -3.875322816e+00 -3.875322816e+00 2.50 -3.923651549e+00 -3.923651549e+00 2.52 -3.964330914e+00 -3.964330914e+00 2.54 -3.997875299e+00 -3.997875299e+00 2.56 -4.024768120e+00 -4.024768120e+00 2.58 -4.045466441e+00 -4.045466441e+00 2.60 -4.060421063e+00 -4.060421063e+00 2.62 -4.070063377e+00 -4.070063377e+00 2.64 -4.074796994e+00 -4.074796994e+00 2.66 -4.074999308e+00 -4.074999308e+00 2.68 -4.071021985e+00 -4.071021985e+00 2.70 -4.063192663e+00 -4.063192663e+00 2.72 -4.051816589e+00 -4.051816589e+00 2.74 -4.037178136e+00 -4.037178136e+00 2.76 -4.019542223e+00 -4.019542223e+00 2.78 -3.999155634e+00 -3.999155634e+00 2.80 -3.976248249e+00 -3.976248249e+00 2.82 -3.951034188e+00 -3.951034188e+00 2.84 -3.923712877e+00 -3.923712877e+00 2.86 -3.894470043e+00 -3.894470043e+00 2.88 -3.863478641e+00 -3.863478641e+00 2.90 -3.830899716e+00 -3.830899716e+00 2.92 -3.796883208e+00 -3.796883208e+00 2.94 -3.761568703e+00 -3.761568703e+00 2.96 -3.725086129e+00 -3.725086129e+00 2.98 -3.687556411e+00 -3.687556411e+00 3.00 -3.649092075e+00 -3.649092075e+00 3.02 -3.609797817e+00 -3.609797817e+00 3.04 -3.569771028e+00 -3.569771028e+00 3.06 -3.529102289e+00 -3.529102289e+00 3.08 -3.487875825e+00 -3.487875825e+00 3.10 -3.446169939e+00 -3.446169939e+00 3.12 -3.404057406e+00 -3.404057406e+00 3.14 -3.361605847e+00 -3.361605847e+00 3.16 -3.318878072e+00 -3.318878072e+00 3.18 -3.275932408e+00 -3.275932408e+00 3.20 -3.232822999e+00 -3.232822999e+00 3.22 -3.189600085e+00 -3.189600085e+00 3.24 -3.146310264e+00 -3.146310264e+00 3.26 -3.102996738e+00 -3.102996738e+00 3.28 -3.059699542e+00 -3.059699542e+00 3.30 -3.016455750e+00 -3.016455750e+00 3.32 -2.973299682e+00 -2.973299682e+00 3.34 -2.930263079e+00 -2.930263079e+00 3.36 -2.887375285e+00 -2.887375285e+00 3.38 -2.844663398e+00 -2.844663398e+00 3.40 -2.802152425e+00 -2.802152425e+00 3.42 -2.759865423e+00 -2.759865423e+00 3.44 -2.717823624e+00 -2.717823624e+00 3.46 -2.676046559e+00 -2.676046559e+00 3.48 -2.634552172e+00 -2.634552172e+00 3.50 -2.593356924e+00 -2.593356924e+00 3.52 -2.552475891e+00 -2.552475891e+00 3.54 -2.511922858e+00 -2.511922858e+00 3.56 -2.471710402e+00 -2.471710402e+00 3.58 -2.431849972e+00 -2.431849972e+00 3.60 -2.392351967e+00 -2.392351967e+00 3.62 -2.353225799e+00 -2.353225799e+00 3.64 -2.314479963e+00 -2.314479963e+00 3.66 -2.276122098e+00 -2.276122098e+00 3.68 -2.238159037e+00 -2.238159037e+00 3.70 -2.200596865e+00 -2.200596865e+00 3.72 -2.163440970e+00 -2.163440970e+00 3.74 -2.126696080e+00 -2.126696080e+00 3.76 -2.090366316e+00 -2.090366316e+00 3.78 -2.054455225e+00 -2.054455225e+00 3.80 -2.018965819e+00 -2.018965819e+00 3.82 -1.983900612e+00 -1.983900612e+00 3.84 -1.949261651e+00 -1.949261651e+00 3.86 -1.915050544e+00 -1.915050544e+00 3.88 -1.881268492e+00 -1.881268492e+00 3.90 -1.847916315e+00 -1.847916315e+00 3.92 -1.814994475e+00 -1.814994475e+00 3.94 -1.782503100e+00 -1.782503100e+00 3.96 -1.750442007e+00 -1.750442007e+00 3.98 -1.718810722e+00 -1.718810722e+00 4.00 -1.687608495e+00 -1.687608495e+00 4.02 -1.656834326e+00 -1.656834326e+00 4.04 -1.626486973e+00 -1.626486973e+00 4.06 -1.596564974e+00 -1.596564974e+00 4.08 -1.567066658e+00 -1.567066658e+00 4.10 -1.537990161e+00 -1.537990161e+00 4.12 -1.509333438e+00 -1.509333438e+00 4.14 -1.481094274e+00 -1.481094274e+00 4.16 -1.453270300e+00 -1.453270300e+00 4.18 -1.425858996e+00 -1.425858996e+00 4.20 -1.398857709e+00 -1.398857709e+00 4.22 -1.372263656e+00 -1.372263656e+00 4.24 -1.346073940e+00 -1.346073940e+00 4.26 -1.319659555e+00 -1.319659555e+00 4.28 -1.280154766e+00 -1.280154766e+00 4.30 -1.189025472e+00 -1.189025472e+00 4.32 -1.016435715e+00 -1.016435715e+00 4.34 -9.434674705e-01 -9.434674705e-01 4.36 -9.235341899e-01 -9.235341899e-01 4.38 -9.039600804e-01 -9.039600804e-01 4.40 -8.847405437e-01 -8.847405437e-01 4.42 -8.658709678e-01 -8.658709678e-01 4.44 -8.473467317e-01 -8.473467317e-01 4.46 -8.291632093e-01 -8.291632093e-01 4.48 -8.113157739e-01 -8.113157739e-01 4.50 -7.937998015e-01 -7.937998015e-01 4.52 -7.766106746e-01 -7.766106746e-01 4.54 -7.597437853e-01 -7.597437853e-01 4.56 -7.431945381e-01 -7.431945381e-01 4.58 -7.269583532e-01 -7.269583532e-01 4.60 -7.110306688e-01 -7.110306688e-01 4.62 -6.954069434e-01 -6.954069434e-01 4.64 -6.800826584e-01 -6.800826584e-01 4.66 -6.650533199e-01 -6.650533199e-01 4.68 -6.503144610e-01 -6.503144610e-01 4.70 -6.358616431e-01 -6.358616431e-01 4.72 -6.216904580e-01 -6.216904580e-01 4.74 -6.077965293e-01 -6.077965293e-01 4.76 -5.941755138e-01 -5.941755138e-01 4.78 -5.808231027e-01 -5.808231027e-01 4.80 -5.677350230e-01 -5.677350230e-01 4.82 -5.549070387e-01 -5.549070387e-01 4.84 -5.423349514e-01 -5.423349514e-01 4.86 -5.300146016e-01 -5.300146016e-01 4.88 -5.179418694e-01 -5.179418694e-01 4.90 -5.061126752e-01 -5.061126752e-01 4.92 -4.936904221e-01 -4.936904221e-01 4.94 -4.701304877e-01 -4.701304877e-01 4.96 -4.055396670e-01 -4.055396670e-01 4.98 -2.432518287e-01 -2.432518287e-01 5.00 -2.653827642e-22 -2.647972652e-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