# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ti-Co # implementation = 2025--Sharifi-H--Cr-Ti-Co--LAMMPS--ipr1 # composition = Co2CrTi # 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 2.818814059e+02 2.818814059e+02 1.00 2.622884880e+02 2.622884880e+02 1.02 2.446042727e+02 2.446042727e+02 1.04 2.286504143e+02 2.286504143e+02 1.06 2.140849992e+02 2.140849992e+02 1.08 2.006530848e+02 2.006530848e+02 1.10 1.881650175e+02 1.881650175e+02 1.12 1.764798401e+02 1.764798401e+02 1.14 1.654926920e+02 1.654926920e+02 1.16 1.551252744e+02 1.551252744e+02 1.18 1.453186885e+02 1.453186885e+02 1.20 1.360280731e+02 1.360280731e+02 1.22 1.272186192e+02 1.272186192e+02 1.24 1.188626345e+02 1.188626345e+02 1.26 1.109373957e+02 1.109373957e+02 1.28 1.034235951e+02 1.034235951e+02 1.30 9.630423120e+01 9.630423120e+01 1.32 8.956382844e+01 8.956382844e+01 1.34 8.318790019e+01 8.318790019e+01 1.36 7.716258577e+01 7.716258577e+01 1.38 7.147442115e+01 7.147442115e+01 1.40 6.611019950e+01 6.611019950e+01 1.42 6.105689423e+01 6.105689423e+01 1.44 5.630162639e+01 5.630162639e+01 1.46 5.183166127e+01 5.183166127e+01 1.48 4.763442389e+01 4.763442389e+01 1.50 4.369752587e+01 4.369752587e+01 1.52 4.000879769e+01 4.000879769e+01 1.54 3.655632351e+01 3.655632351e+01 1.56 3.332847733e+01 3.332847733e+01 1.58 3.031395285e+01 3.031395285e+01 1.60 2.750178953e+01 2.750178953e+01 1.62 2.488138295e+01 2.488138295e+01 1.64 2.244240140e+01 2.244240140e+01 1.66 2.017474484e+01 2.017474484e+01 1.68 1.806858754e+01 1.806858754e+01 1.70 1.611441887e+01 1.611441887e+01 1.72 1.430307633e+01 1.430307633e+01 1.74 1.262577135e+01 1.262577135e+01 1.76 1.107410779e+01 1.107410779e+01 1.78 9.640076462e+00 9.640076462e+00 1.80 8.316029104e+00 8.316029104e+00 1.82 7.094746404e+00 7.094746404e+00 1.84 5.969410044e+00 5.969410044e+00 1.86 4.933545219e+00 4.933545219e+00 1.88 3.981024047e+00 3.981024047e+00 1.90 3.106066604e+00 3.106066604e+00 1.92 2.303238438e+00 2.303238438e+00 1.94 1.567445095e+00 1.567445095e+00 1.96 8.939242117e-01 8.939242117e-01 1.98 2.782355728e-01 2.782355728e-01 2.00 -2.837505470e-01 -2.837505470e-01 2.02 -7.959222002e-01 -7.959222002e-01 2.04 -1.262099543e+00 -1.262099543e+00 2.06 -1.685853012e+00 -1.685853012e+00 2.08 -2.070461193e+00 -2.070461193e+00 2.10 -2.418936507e+00 -2.418936507e+00 2.12 -2.734048435e+00 -2.734048435e+00 2.14 -3.018344622e+00 -3.018344622e+00 2.16 -3.274170061e+00 -3.274170061e+00 2.18 -3.503684410e+00 -3.503684410e+00 2.20 -3.708875634e+00 -3.708875634e+00 2.22 -3.891553033e+00 -3.891553033e+00 2.24 -4.053371752e+00 -4.053371752e+00 2.26 -4.195865036e+00 -4.195865036e+00 2.28 -4.320454446e+00 -4.320454446e+00 2.30 -4.428458684e+00 -4.428458684e+00 2.32 -4.521101702e+00 -4.521101702e+00 2.34 -4.599520123e+00 -4.599520123e+00 2.36 -4.664770069e+00 -4.664770069e+00 2.38 -4.717833421e+00 -4.717833421e+00 2.40 -4.759623529e+00 -4.759623529e+00 2.42 -4.790990433e+00 -4.790990433e+00 2.44 -4.812725583e+00 -4.812725583e+00 2.46 -4.825566120e+00 -4.825566120e+00 2.48 -4.830198760e+00 -4.830198760e+00 2.50 -4.827288655e+00 -4.827288655e+00 2.52 -4.817587493e+00 -4.817587493e+00 2.54 -4.801821191e+00 -4.801821191e+00 2.56 -4.780643391e+00 -4.780643391e+00 2.58 -4.754642219e+00 -4.754642219e+00 2.60 -4.724346499e+00 -4.724346499e+00 2.62 -4.690231409e+00 -4.690231409e+00 2.64 -4.652723641e+00 -4.652723641e+00 2.66 -4.612206064e+00 -4.612206064e+00 2.68 -4.569021958e+00 -4.569021958e+00 2.70 -4.523478846e+00 -4.523478846e+00 2.72 -4.475851956e+00 -4.475851956e+00 2.74 -4.426387366e+00 -4.426387366e+00 2.76 -4.375304851e+00 -4.375304851e+00 2.78 -4.322800474e+00 -4.322800474e+00 2.80 -4.269048943e+00 -4.269048943e+00 2.82 -4.214205757e+00 -4.214205757e+00 2.84 -4.158409183e+00 -4.158409183e+00 2.86 -4.101782061e+00 -4.101782061e+00 2.88 -4.044433488e+00 -4.044433488e+00 2.90 -3.986460378e+00 -3.986460378e+00 2.92 -3.927948946e+00 -3.927948946e+00 2.94 -3.868976105e+00 -3.868976105e+00 2.96 -3.809610831e+00 -3.809610831e+00 2.98 -3.749915488e+00 -3.749915488e+00 3.00 -3.689947142e+00 -3.689947142e+00 3.02 -3.629758878e+00 -3.629758878e+00 3.04 -3.569401119e+00 -3.569401119e+00 3.06 -3.508922954e+00 -3.508922954e+00 3.08 -3.448373473e+00 -3.448373473e+00 3.10 -3.387803056e+00 -3.387803056e+00 3.12 -3.327264612e+00 -3.327264612e+00 3.14 -3.266814672e+00 -3.266814672e+00 3.16 -3.206514271e+00 -3.206514271e+00 3.18 -3.146429511e+00 -3.146429511e+00 3.20 -3.086631673e+00 -3.086631673e+00 3.22 -3.027196772e+00 -3.027196772e+00 3.24 -2.968204430e+00 -2.968204430e+00 3.26 -2.909735999e+00 -2.909735999e+00 3.28 -2.851871928e+00 -2.851871928e+00 3.30 -2.794688452e+00 -2.794688452e+00 3.32 -2.738253783e+00 -2.738253783e+00 3.34 -2.682624116e+00 -2.682624116e+00 3.36 -2.627839807e+00 -2.627839807e+00 3.38 -2.573922164e+00 -2.573922164e+00 3.40 -2.520871257e+00 -2.520871257e+00 3.42 -2.468665047e+00 -2.468665047e+00 3.44 -2.417260041e+00 -2.417260041e+00 3.46 -2.366593426e+00 -2.366593426e+00 3.48 -2.316586512e+00 -2.316586512e+00 3.50 -2.267149122e+00 -2.267149122e+00 3.52 -2.218184478e+00 -2.218184478e+00 3.54 -2.169594103e+00 -2.169594103e+00 3.56 -2.121282319e+00 -2.121282319e+00 3.58 -2.073160000e+00 -2.073160000e+00 3.60 -2.025147389e+00 -2.025147389e+00 3.62 -1.977175952e+00 -1.977175952e+00 3.64 -1.929189355e+00 -1.929189355e+00 3.66 -1.881143771e+00 -1.881143771e+00 3.68 -1.833007793e+00 -1.833007793e+00 3.70 -1.784762218e+00 -1.784762218e+00 3.72 -1.736399957e+00 -1.736399957e+00 3.74 -1.687926230e+00 -1.687926230e+00 3.76 -1.639359132e+00 -1.639359132e+00 3.78 -1.590730545e+00 -1.590730545e+00 3.80 -1.542087293e+00 -1.542087293e+00 3.82 -1.493492362e+00 -1.493492362e+00 3.84 -1.445025980e+00 -1.445025980e+00 3.86 -1.396786300e+00 -1.396786300e+00 3.88 -1.348889448e+00 -1.348889448e+00 3.90 -1.301468700e+00 -1.301468700e+00 3.92 -1.254672601e+00 -1.254672601e+00 3.94 -1.208661897e+00 -1.208661897e+00 3.96 -1.163605250e+00 -1.163605250e+00 3.98 -1.119673824e+00 -1.119673824e+00 4.00 -1.077034978e+00 -1.077034978e+00 4.02 -1.035845410e+00 -1.035845410e+00 4.04 -9.962442467e-01 -9.962442467e-01 4.06 -9.583466133e-01 -9.583466133e-01 4.08 -9.222382380e-01 -9.222382380e-01 4.10 -8.879715803e-01 -8.879715803e-01 4.12 -8.555638439e-01 -8.555638439e-01 4.14 -8.249970511e-01 -8.249970511e-01 4.16 -7.962201567e-01 -7.962201567e-01 4.18 -7.691529788e-01 -7.691529788e-01 4.20 -7.436915590e-01 -7.436915590e-01 4.22 -7.197144550e-01 -7.197144550e-01 4.24 -6.970894215e-01 -6.970894215e-01 4.26 -6.757882976e-01 -6.757882976e-01 4.28 -6.579697501e-01 -6.579697501e-01 4.30 -6.498603320e-01 -6.498603320e-01 4.32 -6.517562284e-01 -6.517562284e-01 4.34 -6.393534486e-01 -6.393534486e-01 4.36 -6.218802260e-01 -6.218802260e-01 4.38 -6.048292639e-01 -6.048292639e-01 4.40 -5.881732317e-01 -5.881732317e-01 4.42 -5.718916525e-01 -5.718916525e-01 4.44 -5.559692674e-01 -5.559692674e-01 4.46 -5.403946265e-01 -5.403946265e-01 4.48 -5.251589429e-01 -5.251589429e-01 4.50 -5.102552099e-01 -5.102552099e-01 4.52 -4.956775554e-01 -4.956775554e-01 4.54 -4.814207930e-01 -4.814207930e-01 4.56 -4.674801271e-01 -4.674801271e-01 4.58 -4.538509682e-01 -4.538509682e-01 4.60 -4.405288250e-01 -4.405288250e-01 4.62 -4.275092440e-01 -4.275092440e-01 4.64 -4.147877803e-01 -4.147877803e-01 4.66 -4.023599836e-01 -4.023599836e-01 4.68 -3.902213937e-01 -3.902213937e-01 4.70 -3.783675406e-01 -3.783675406e-01 4.72 -3.667939466e-01 -3.667939466e-01 4.74 -3.554961289e-01 -3.554961289e-01 4.76 -3.444696027e-01 -3.444696027e-01 4.78 -3.337098845e-01 -3.337098845e-01 4.80 -3.232124952e-01 -3.232124952e-01 4.82 -3.129729632e-01 -3.129729632e-01 4.84 -3.029868272e-01 -3.029868272e-01 4.86 -2.932496390e-01 -2.932496390e-01 4.88 -2.837569665e-01 -2.837569665e-01 4.90 -2.745043960e-01 -2.745043960e-01 4.92 -2.647634347e-01 -2.647634347e-01 4.94 -2.455995749e-01 -2.455995749e-01 4.96 -1.957716611e-01 -1.957716611e-01 4.98 -9.680853913e-02 -9.680853913e-02 5.00 -5.174813392e-23 -5.181904252e-23 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