# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ni-Al # implementation = 2025--Sharifi-H--Fe-Ni-Al--LAMMPS--ipr1 # composition = AlFe2Ni # 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 5.196204333e+02 5.196204333e+02 1.00 4.776671832e+02 4.776671832e+02 1.02 4.398658500e+02 4.398658500e+02 1.04 4.057052584e+02 4.057052584e+02 1.06 3.781482654e+02 3.781482654e+02 1.08 3.567040102e+02 3.567040102e+02 1.10 3.393135482e+02 3.393135482e+02 1.12 3.244912747e+02 3.244912747e+02 1.14 3.111912251e+02 3.111912251e+02 1.16 2.987001460e+02 2.987001460e+02 1.18 2.865534460e+02 2.865534460e+02 1.20 2.744694568e+02 2.744694568e+02 1.22 2.622983930e+02 2.622983930e+02 1.24 2.499831032e+02 2.499831032e+02 1.26 2.375291468e+02 2.375291468e+02 1.28 2.249822830e+02 2.249822830e+02 1.30 2.124117871e+02 2.124117871e+02 1.32 1.998983124e+02 1.998983124e+02 1.34 1.875252874e+02 1.875252874e+02 1.36 1.753730227e+02 1.753730227e+02 1.38 1.635148816e+02 1.635148816e+02 1.40 1.520149918e+02 1.520149918e+02 1.42 1.409270953e+02 1.409270953e+02 1.44 1.302942244e+02 1.302942244e+02 1.46 1.201489370e+02 1.201489370e+02 1.48 1.105139466e+02 1.105139466e+02 1.50 1.014030090e+02 1.014030090e+02 1.52 9.282192747e+01 9.282192747e+01 1.54 8.476961204e+01 8.476961204e+01 1.56 7.723913529e+01 7.723913529e+01 1.58 7.021874549e+01 7.021874549e+01 1.60 6.369281433e+01 6.369281433e+01 1.62 5.764270121e+01 5.764270121e+01 1.64 5.204752518e+01 5.204752518e+01 1.66 4.688484194e+01 4.688484194e+01 1.68 4.213122968e+01 4.213122968e+01 1.70 3.776278712e+01 3.776278712e+01 1.72 3.375554416e+01 3.375554416e+01 1.74 3.008575851e+01 3.008575851e+01 1.76 2.673016092e+01 2.673016092e+01 1.78 2.366617981e+01 2.366617981e+01 1.80 2.087211441e+01 2.087211441e+01 1.82 1.832726820e+01 1.832726820e+01 1.84 1.601203762e+01 1.601203762e+01 1.86 1.390796500e+01 1.390796500e+01 1.88 1.199776340e+01 1.199776340e+01 1.90 1.026532139e+01 1.026532139e+01 1.92 8.695688119e+00 8.695688119e+00 1.94 7.275038713e+00 7.275038713e+00 1.96 5.990589856e+00 5.990589856e+00 1.98 4.830520619e+00 4.830520619e+00 2.00 3.783928206e+00 3.783928206e+00 2.02 2.840782806e+00 2.840782806e+00 2.04 1.991893017e+00 1.991893017e+00 2.06 1.228951395e+00 1.228951395e+00 2.08 5.444044148e-01 5.444044148e-01 2.10 -6.866250786e-02 -6.866250786e-02 2.12 -6.165843016e-01 -6.165843016e-01 2.14 -1.105167163e+00 -1.105167163e+00 2.16 -1.539730354e+00 -1.539730354e+00 2.18 -1.925146760e+00 -1.925146760e+00 2.20 -2.265879537e+00 -2.265879537e+00 2.22 -2.566015313e+00 -2.566015313e+00 2.24 -2.829294693e+00 -2.829294693e+00 2.26 -3.059140418e+00 -3.059140418e+00 2.28 -3.258683211e+00 -3.258683211e+00 2.30 -3.430785570e+00 -3.430785570e+00 2.32 -3.578063709e+00 -3.578063709e+00 2.34 -3.702907695e+00 -3.702907695e+00 2.36 -3.807499999e+00 -3.807499999e+00 2.38 -3.893832594e+00 -3.893832594e+00 2.40 -3.963722631e+00 -3.963722631e+00 2.42 -4.018828673e+00 -4.018828673e+00 2.44 -4.060667152e+00 -4.060667152e+00 2.46 -4.090619331e+00 -4.090619331e+00 2.48 -4.109941563e+00 -4.109941563e+00 2.50 -4.119775803e+00 -4.119775803e+00 2.52 -4.121159278e+00 -4.121159278e+00 2.54 -4.115033387e+00 -4.115033387e+00 2.56 -4.102251860e+00 -4.102251860e+00 2.58 -4.083588267e+00 -4.083588267e+00 2.60 -4.059742914e+00 -4.059742914e+00 2.62 -4.031349170e+00 -4.031349170e+00 2.64 -3.998979287e+00 -3.998979287e+00 2.66 -3.963149731e+00 -3.963149731e+00 2.68 -3.924326080e+00 -3.924326080e+00 2.70 -3.882927524e+00 -3.882927524e+00 2.72 -3.839330977e+00 -3.839330977e+00 2.74 -3.793874861e+00 -3.793874861e+00 2.76 -3.746862571e+00 -3.746862571e+00 2.78 -3.698565645e+00 -3.698565645e+00 2.80 -3.649226673e+00 -3.649226673e+00 2.82 -3.599061957e+00 -3.599061957e+00 2.84 -3.548263951e+00 -3.548263951e+00 2.86 -3.497003482e+00 -3.497003482e+00 2.88 -3.445431795e+00 -3.445431795e+00 2.90 -3.393682408e+00 -3.393682408e+00 2.92 -3.341872820e+00 -3.341872820e+00 2.94 -3.290106058e+00 -3.290106058e+00 2.96 -3.238472096e+00 -3.238472096e+00 2.98 -3.187049146e+00 -3.187049146e+00 3.00 -3.135904836e+00 -3.135904836e+00 3.02 -3.085063547e+00 -3.085063547e+00 3.04 -3.034161204e+00 -3.034161204e+00 3.06 -2.983099068e+00 -2.983099068e+00 3.08 -2.933597567e+00 -2.933597567e+00 3.10 -2.884610584e+00 -2.884610584e+00 3.12 -2.836139701e+00 -2.836139701e+00 3.14 -2.788203500e+00 -2.788203500e+00 3.16 -2.740816267e+00 -2.740816267e+00 3.18 -2.693988478e+00 -2.693988478e+00 3.20 -2.647727251e+00 -2.647727251e+00 3.22 -2.602036743e+00 -2.602036743e+00 3.24 -2.556918511e+00 -2.556918511e+00 3.26 -2.512371844e+00 -2.512371844e+00 3.28 -2.468394046e+00 -2.468394046e+00 3.30 -2.424980710e+00 -2.424980710e+00 3.32 -2.382125945e+00 -2.382125945e+00 3.34 -2.339822594e+00 -2.339822594e+00 3.36 -2.298062420e+00 -2.298062420e+00 3.38 -2.256836275e+00 -2.256836275e+00 3.40 -2.216134253e+00 -2.216134253e+00 3.42 -2.175945827e+00 -2.175945827e+00 3.44 -2.136259963e+00 -2.136259963e+00 3.46 -2.097065237e+00 -2.097065237e+00 3.48 -2.058349924e+00 -2.058349924e+00 3.50 -2.020102088e+00 -2.020102088e+00 3.52 -1.982309659e+00 -1.982309659e+00 3.54 -1.944960503e+00 -1.944960503e+00 3.56 -1.908042486e+00 -1.908042486e+00 3.58 -1.871543534e+00 -1.871543534e+00 3.60 -1.835451682e+00 -1.835451682e+00 3.62 -1.799755130e+00 -1.799755130e+00 3.64 -1.764442286e+00 -1.764442286e+00 3.66 -1.729501814e+00 -1.729501814e+00 3.68 -1.694922680e+00 -1.694922680e+00 3.70 -1.660694190e+00 -1.660694190e+00 3.72 -1.626806040e+00 -1.626806040e+00 3.74 -1.593248354e+00 -1.593248354e+00 3.76 -1.560011735e+00 -1.560011735e+00 3.78 -1.527087307e+00 -1.527087307e+00 3.80 -1.494466766e+00 -1.494466766e+00 3.82 -1.462142426e+00 -1.462142426e+00 3.84 -1.430107272e+00 -1.430107272e+00 3.86 -1.398355015e+00 -1.398355015e+00 3.88 -1.366880143e+00 -1.366880143e+00 3.90 -1.335677977e+00 -1.335677977e+00 3.92 -1.304744731e+00 -1.304744731e+00 3.94 -1.274077562e+00 -1.274077562e+00 3.96 -1.243674631e+00 -1.243674631e+00 3.98 -1.213535153e+00 -1.213535153e+00 4.00 -1.183659448e+00 -1.183659448e+00 4.02 -1.154048985e+00 -1.154048985e+00 4.04 -1.124706425e+00 -1.124706425e+00 4.06 -1.095635649e+00 -1.095635649e+00 4.08 -1.066841785e+00 -1.066841785e+00 4.10 -1.038331212e+00 -1.038331212e+00 4.12 -1.010111563e+00 -1.010111563e+00 4.14 -9.821917069e-01 -9.821917069e-01 4.16 -9.545817103e-01 -9.545817103e-01 4.18 -9.272927886e-01 -9.272927886e-01 4.20 -9.003372320e-01 -9.003372320e-01 4.22 -8.737283122e-01 -8.737283122e-01 4.24 -8.474801691e-01 -8.474801691e-01 4.26 -8.214330881e-01 -8.214330881e-01 4.28 -7.920423300e-01 -7.920423300e-01 4.30 -7.498441465e-01 -7.498441465e-01 4.32 -7.055562123e-01 -7.055562123e-01 4.34 -6.865248781e-01 -6.865248781e-01 4.36 -6.685564055e-01 -6.685564055e-01 4.38 -6.510686957e-01 -6.510686957e-01 4.40 -6.340432217e-01 -6.340432217e-01 4.42 -6.174614670e-01 -6.174614670e-01 4.44 -6.013051310e-01 -6.013051310e-01 4.46 -5.855563093e-01 -5.855563093e-01 4.48 -5.701976482e-01 -5.701976482e-01 4.50 -5.552124735e-01 -5.552124735e-01 4.52 -5.405848925e-01 -5.405848925e-01 4.54 -5.262998702e-01 -5.262998702e-01 4.56 -5.123432813e-01 -5.123432813e-01 4.58 -4.987019403e-01 -4.987019403e-01 4.60 -4.853636102e-01 -4.853636102e-01 4.62 -4.723169940e-01 -4.723169940e-01 4.64 -4.595517104e-01 -4.595517104e-01 4.66 -4.470582570e-01 -4.470582570e-01 4.68 -4.348279625e-01 -4.348279625e-01 4.70 -4.228529323e-01 -4.228529323e-01 4.72 -4.111259880e-01 -4.111259880e-01 4.74 -3.996406040e-01 -3.996406040e-01 4.76 -3.883908426e-01 -3.883908426e-01 4.78 -3.773712899e-01 -3.773712899e-01 4.80 -3.665769936e-01 -3.665769936e-01 4.82 -3.560034032e-01 -3.560034032e-01 4.84 -3.456463146e-01 -3.456463146e-01 4.86 -3.355018190e-01 -3.355018190e-01 4.88 -3.255662565e-01 -3.255662565e-01 4.90 -3.158361750e-01 -3.158361750e-01 4.92 -3.059041779e-01 -3.059041779e-01 4.94 -2.907073188e-01 -2.907073188e-01 4.96 -2.548201376e-01 -2.548201376e-01 4.98 -1.604271875e-01 -1.604271875e-01 5.00 -4.228460237e-22 -4.232363301e-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