# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Co-Fe # implementation = 2025--Sharifi-H--Cu-Co-Fe--LAMMPS--ipr1 # composition = CoCuFe2 # 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 4.308015827e+02 4.308015827e+02 1.00 3.859345410e+02 3.859345410e+02 1.02 3.446408595e+02 3.446408595e+02 1.04 3.070055768e+02 3.070055768e+02 1.06 2.729732334e+02 2.729732334e+02 1.08 2.423943407e+02 2.423943407e+02 1.10 2.150604749e+02 2.150604749e+02 1.12 1.907298655e+02 1.907298655e+02 1.14 1.691457750e+02 1.691457750e+02 1.16 1.500494203e+02 1.500494203e+02 1.18 1.331887857e+02 1.331887857e+02 1.20 1.183243855e+02 1.183243855e+02 1.22 1.052327733e+02 1.052327733e+02 1.24 9.370841556e+01 9.370841556e+01 1.26 8.356439163e+01 8.356439163e+01 1.28 7.463227534e+01 7.463227534e+01 1.30 6.676144236e+01 6.676144236e+01 1.32 5.981802962e+01 5.981802962e+01 1.34 5.368373441e+01 5.368373441e+01 1.36 4.825450786e+01 4.825450786e+01 1.38 4.343921079e+01 4.343921079e+01 1.40 3.915829316e+01 3.915829316e+01 1.42 3.534253031e+01 3.534253031e+01 1.44 3.193184001e+01 3.193184001e+01 1.46 2.887419131e+01 2.887419131e+01 1.48 2.612460901e+01 2.612460901e+01 1.50 2.364427582e+01 2.364427582e+01 1.52 2.139973116e+01 2.139973116e+01 1.54 1.936215983e+01 1.936215983e+01 1.56 1.750676215e+01 1.750676215e+01 1.58 1.581220278e+01 1.581220278e+01 1.60 1.426012562e+01 1.426012562e+01 1.62 1.283473985e+01 1.283473985e+01 1.64 1.152246084e+01 1.152246084e+01 1.66 1.031159542e+01 1.031159542e+01 1.68 9.192072351e+00 9.192072351e+00 1.70 8.155210658e+00 8.155210658e+00 1.72 7.193516179e+00 7.193516179e+00 1.74 6.300471694e+00 6.300471694e+00 1.76 5.470365527e+00 5.470365527e+00 1.78 4.698179437e+00 4.698179437e+00 1.80 3.979493351e+00 3.979493351e+00 1.82 3.310380692e+00 3.310380692e+00 1.84 2.687342618e+00 2.687342618e+00 1.86 2.107252734e+00 2.107252734e+00 1.88 1.567296352e+00 1.567296352e+00 1.90 1.064936659e+00 1.064936659e+00 1.92 5.978846754e-01 5.978846754e-01 1.94 1.640726583e-01 1.640726583e-01 1.96 -2.383698639e-01 -2.383698639e-01 1.98 -6.111590634e-01 -6.111590634e-01 2.00 -9.559189483e-01 -9.559189483e-01 2.02 -1.274197386e+00 -1.274197386e+00 2.04 -1.567469156e+00 -1.567469156e+00 2.06 -1.837138864e+00 -1.837138864e+00 2.08 -2.084543774e+00 -2.084543774e+00 2.10 -2.310956576e+00 -2.310956576e+00 2.12 -2.517588061e+00 -2.517588061e+00 2.14 -2.705589437e+00 -2.705589437e+00 2.16 -2.876053887e+00 -2.876053887e+00 2.18 -3.030020204e+00 -3.030020204e+00 2.20 -3.168475571e+00 -3.168475571e+00 2.22 -3.292357780e+00 -3.292357780e+00 2.24 -3.402557367e+00 -3.402557367e+00 2.26 -3.499919694e+00 -3.499919694e+00 2.28 -3.585246944e+00 -3.585246944e+00 2.30 -3.659300047e+00 -3.659300047e+00 2.32 -3.722800535e+00 -3.722800535e+00 2.34 -3.776432335e+00 -3.776432335e+00 2.36 -3.820843477e+00 -3.820843477e+00 2.38 -3.856647758e+00 -3.856647758e+00 2.40 -3.884426323e+00 -3.884426323e+00 2.42 -3.904732828e+00 -3.904732828e+00 2.44 -3.918101658e+00 -3.918101658e+00 2.46 -3.925048057e+00 -3.925048057e+00 2.48 -3.926071350e+00 -3.926071350e+00 2.50 -3.921640041e+00 -3.921640041e+00 2.52 -3.912192182e+00 -3.912192182e+00 2.54 -3.898137284e+00 -3.898137284e+00 2.56 -3.879858117e+00 -3.879858117e+00 2.58 -3.857712387e+00 -3.857712387e+00 2.60 -3.832034311e+00 -3.832034311e+00 2.62 -3.803136086e+00 -3.803136086e+00 2.64 -3.771309269e+00 -3.771309269e+00 2.66 -3.736826071e+00 -3.736826071e+00 2.68 -3.699940560e+00 -3.699940560e+00 2.70 -3.660889798e+00 -3.660889798e+00 2.72 -3.619894905e+00 -3.619894905e+00 2.74 -3.577162045e+00 -3.577162045e+00 2.76 -3.532883368e+00 -3.532883368e+00 2.78 -3.487237880e+00 -3.487237880e+00 2.80 -3.440392259e+00 -3.440392259e+00 2.82 -3.392501633e+00 -3.392501633e+00 2.84 -3.343710292e+00 -3.343710292e+00 2.86 -3.294152366e+00 -3.294152366e+00 2.88 -3.243952463e+00 -3.243952463e+00 2.90 -3.193226262e+00 -3.193226262e+00 2.92 -3.142081070e+00 -3.142081070e+00 2.94 -3.090616349e+00 -3.090616349e+00 2.96 -3.038924203e+00 -3.038924203e+00 2.98 -2.987089847e+00 -2.987089847e+00 3.00 -2.935192035e+00 -2.935192035e+00 3.02 -2.883405358e+00 -2.883405358e+00 3.04 -2.833052749e+00 -2.833052749e+00 3.06 -2.784623658e+00 -2.784623658e+00 3.08 -2.733104092e+00 -2.733104092e+00 3.10 -2.681766149e+00 -2.681766149e+00 3.12 -2.630723180e+00 -2.630723180e+00 3.14 -2.580018958e+00 -2.580018958e+00 3.16 -2.529693432e+00 -2.529693432e+00 3.18 -2.479782964e+00 -2.479782964e+00 3.20 -2.430320570e+00 -2.430320570e+00 3.22 -2.381336133e+00 -2.381336133e+00 3.24 -2.332856609e+00 -2.332856609e+00 3.26 -2.284906216e+00 -2.284906216e+00 3.28 -2.237506622e+00 -2.237506622e+00 3.30 -2.190677108e+00 -2.190677108e+00 3.32 -2.144434730e+00 -2.144434730e+00 3.34 -2.098794467e+00 -2.098794467e+00 3.36 -2.053769366e+00 -2.053769366e+00 3.38 -2.009370672e+00 -2.009370672e+00 3.40 -1.965607948e+00 -1.965607948e+00 3.42 -1.922489199e+00 -1.922489199e+00 3.44 -1.880020979e+00 -1.880020979e+00 3.46 -1.838208490e+00 -1.838208490e+00 3.48 -1.797055685e+00 -1.797055685e+00 3.50 -1.756565356e+00 -1.756565356e+00 3.52 -1.716739216e+00 -1.716739216e+00 3.54 -1.677577987e+00 -1.677577987e+00 3.56 -1.639081467e+00 -1.639081467e+00 3.58 -1.601248607e+00 -1.601248607e+00 3.60 -1.564077572e+00 -1.564077572e+00 3.62 -1.527565808e+00 -1.527565808e+00 3.64 -1.491710097e+00 -1.491710097e+00 3.66 -1.456506612e+00 -1.456506612e+00 3.68 -1.421950971e+00 -1.421950971e+00 3.70 -1.388038282e+00 -1.388038282e+00 3.72 -1.354763190e+00 -1.354763190e+00 3.74 -1.322119917e+00 -1.322119917e+00 3.76 -1.290102305e+00 -1.290102305e+00 3.78 -1.258703852e+00 -1.258703852e+00 3.80 -1.227917743e+00 -1.227917743e+00 3.82 -1.197736890e+00 -1.197736890e+00 3.84 -1.168153954e+00 -1.168153954e+00 3.86 -1.139161380e+00 -1.139161380e+00 3.88 -1.110751421e+00 -1.110751421e+00 3.90 -1.082916163e+00 -1.082916163e+00 3.92 -1.055647546e+00 -1.055647546e+00 3.94 -1.028937392e+00 -1.028937392e+00 3.96 -1.002777419e+00 -1.002777419e+00 3.98 -9.771592618e-01 -9.771592618e-01 4.00 -9.520744916e-01 -9.520744916e-01 4.02 -9.275146298e-01 -9.275146298e-01 4.04 -9.034711649e-01 -9.034711649e-01 4.06 -8.799355658e-01 -8.799355658e-01 4.08 -8.568992958e-01 -8.568992958e-01 4.10 -8.343538243e-01 -8.343538243e-01 4.12 -8.122906386e-01 -8.122906386e-01 4.14 -7.907012544e-01 -7.907012544e-01 4.16 -7.695772252e-01 -7.695772252e-01 4.18 -7.489101523e-01 -7.489101523e-01 4.20 -7.286916923e-01 -7.286916923e-01 4.22 -7.089135654e-01 -7.089135654e-01 4.24 -6.895675621e-01 -6.895675621e-01 4.26 -6.705658083e-01 -6.705658083e-01 4.28 -6.501408108e-01 -6.501408108e-01 4.30 -6.202685732e-01 -6.202685732e-01 4.32 -5.578936762e-01 -5.578936762e-01 4.34 -5.205749104e-01 -5.205749104e-01 4.36 -5.037839691e-01 -5.037839691e-01 4.38 -4.874609778e-01 -4.874609778e-01 4.40 -4.716076518e-01 -4.716076518e-01 4.42 -4.562249762e-01 -4.562249762e-01 4.44 -4.413130532e-01 -4.413130532e-01 4.46 -4.268709608e-01 -4.268709608e-01 4.48 -4.128966284e-01 -4.128966284e-01 4.50 -3.993867348e-01 -3.993867348e-01 4.52 -3.863366337e-01 -3.863366337e-01 4.54 -3.737403086e-01 -3.737403086e-01 4.56 -3.615903622e-01 -3.615903622e-01 4.58 -3.498780389e-01 -3.498780389e-01 4.60 -3.385932825e-01 -3.385932825e-01 4.62 -3.277248254e-01 -3.277248254e-01 4.64 -3.172603076e-01 -3.172603076e-01 4.66 -3.071864204e-01 -3.071864204e-01 4.68 -2.974890702e-01 -2.974890702e-01 4.70 -2.881535563e-01 -2.881535563e-01 4.72 -2.791647563e-01 -2.791647563e-01 4.74 -2.705073131e-01 -2.705073131e-01 4.76 -2.621658180e-01 -2.621658180e-01 4.78 -2.541249836e-01 -2.541249836e-01 4.80 -2.463698028e-01 -2.463698028e-01 4.82 -2.388856895e-01 -2.388856895e-01 4.84 -2.316585995e-01 -2.316585995e-01 4.86 -2.246751277e-01 -2.246751277e-01 4.88 -2.179225833e-01 -2.179225833e-01 4.90 -2.113890416e-01 -2.113890416e-01 4.92 -2.049543281e-01 -2.049543281e-01 4.94 -1.971827841e-01 -1.971827841e-01 4.96 -1.811255760e-01 -1.811255760e-01 4.98 -1.253128177e-01 -1.253128177e-01 5.00 -2.778016771e-22 -2.777696904e-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