# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AgAuZr2 # 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 2024-04-11 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 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 3.969602341e+02 3.969602341e+02 1.30 3.695552160e+02 3.695552160e+02 1.32 3.441185878e+02 3.441185878e+02 1.34 3.204942809e+02 3.204942809e+02 1.36 2.985395126e+02 2.985395126e+02 1.38 2.781246508e+02 2.781246508e+02 1.40 2.591321691e+02 2.591321691e+02 1.42 2.414551042e+02 2.414551042e+02 1.44 2.249956181e+02 2.249956181e+02 1.46 2.096635494e+02 2.096635494e+02 1.48 1.953753136e+02 1.953753136e+02 1.50 1.820537430e+02 1.820537430e+02 1.52 1.696284670e+02 1.696284670e+02 1.54 1.580356449e+02 1.580356449e+02 1.56 1.472170037e+02 1.472170037e+02 1.58 1.371185692e+02 1.371185692e+02 1.60 1.276898292e+02 1.276898292e+02 1.62 1.188833701e+02 1.188833701e+02 1.64 1.106549192e+02 1.106549192e+02 1.66 1.029633597e+02 1.029633597e+02 1.68 9.577070911e+01 9.577070911e+01 1.70 8.904203501e+01 8.904203501e+01 1.72 8.274523814e+01 8.274523814e+01 1.74 7.685077369e+01 7.685077369e+01 1.76 7.133139315e+01 7.133139315e+01 1.78 6.616194914e+01 6.616194914e+01 1.80 6.131922460e+01 6.131922460e+01 1.82 5.678171535e+01 5.678171535e+01 1.84 5.252948327e+01 5.252948327e+01 1.86 4.854409270e+01 4.854409270e+01 1.88 4.480850208e+01 4.480850208e+01 1.90 4.130689811e+01 4.130689811e+01 1.92 3.802470654e+01 3.802470654e+01 1.94 3.494898677e+01 3.494898677e+01 1.96 3.206723638e+01 3.206723638e+01 1.98 2.937440341e+01 2.937440341e+01 2.00 2.686183953e+01 2.686183953e+01 2.02 2.451813296e+01 2.451813296e+01 2.04 2.233239422e+01 2.233239422e+01 2.06 2.029445602e+01 2.029445602e+01 2.08 1.839480183e+01 1.839480183e+01 2.10 1.662452381e+01 1.662452381e+01 2.12 1.497525379e+01 1.497525379e+01 2.14 1.343912000e+01 1.343912000e+01 2.16 1.200870387e+01 1.200870387e+01 2.18 1.067700277e+01 1.067700277e+01 2.20 9.437425493e+00 9.437425493e+00 2.22 8.283776387e+00 8.283776387e+00 2.24 7.210258806e+00 7.210258806e+00 2.26 6.211487665e+00 6.211487665e+00 2.28 5.282489009e+00 5.282489009e+00 2.30 4.418723734e+00 4.418723734e+00 2.32 3.616053016e+00 3.616053016e+00 2.34 2.870693227e+00 2.870693227e+00 2.36 2.179158390e+00 2.179158390e+00 2.38 1.538197487e+00 1.538197487e+00 2.40 9.447423446e-01 9.447423446e-01 2.42 3.958625163e-01 3.958625163e-01 2.44 -1.112496836e-01 -1.112496836e-01 2.46 -5.792920239e-01 -5.792920239e-01 2.48 -1.010842882e+00 -1.010842882e+00 2.50 -1.408347184e+00 -1.408347184e+00 2.52 -1.774105927e+00 -1.774105927e+00 2.54 -2.110275499e+00 -2.110275499e+00 2.56 -2.418875890e+00 -2.418875890e+00 2.58 -2.701802089e+00 -2.701802089e+00 2.60 -2.960832943e+00 -2.960832943e+00 2.62 -3.197633830e+00 -3.197633830e+00 2.64 -3.413760442e+00 -3.413760442e+00 2.66 -3.610649766e+00 -3.610649766e+00 2.68 -3.789625422e+00 -3.789625422e+00 2.70 -3.951900932e+00 -3.951900932e+00 2.72 -4.098686183e+00 -4.098686183e+00 2.74 -4.231001414e+00 -4.231001414e+00 2.76 -4.349668055e+00 -4.349668055e+00 2.78 -4.455469341e+00 -4.455469341e+00 2.80 -4.549160596e+00 -4.549160596e+00 2.82 -4.631449810e+00 -4.631449810e+00 2.84 -4.703010953e+00 -4.703010953e+00 2.86 -4.764482132e+00 -4.764482132e+00 2.88 -4.816439299e+00 -4.816439299e+00 2.90 -4.859225641e+00 -4.859225641e+00 2.92 -4.893121222e+00 -4.893121222e+00 2.94 -4.918445980e+00 -4.918445980e+00 2.96 -4.935552534e+00 -4.935552534e+00 2.98 -4.944819455e+00 -4.944819455e+00 3.00 -4.946645362e+00 -4.946645362e+00 3.02 -4.941443556e+00 -4.941443556e+00 3.04 -4.929632957e+00 -4.929632957e+00 3.06 -4.911650509e+00 -4.911650509e+00 3.08 -4.887919497e+00 -4.887919497e+00 3.10 -4.858865142e+00 -4.858865142e+00 3.12 -4.824903650e+00 -4.824903650e+00 3.14 -4.786480754e+00 -4.786480754e+00 3.16 -4.744020375e+00 -4.744020375e+00 3.18 -4.697857575e+00 -4.697857575e+00 3.20 -4.648321150e+00 -4.648321150e+00 3.22 -4.595733079e+00 -4.595733079e+00 3.24 -4.540407354e+00 -4.540407354e+00 3.26 -4.482650345e+00 -4.482650345e+00 3.28 -4.422761966e+00 -4.422761966e+00 3.30 -4.361036174e+00 -4.361036174e+00 3.32 -4.297759346e+00 -4.297759346e+00 3.34 -4.233214741e+00 -4.233214741e+00 3.36 -4.167727058e+00 -4.167727058e+00 3.38 -4.101478537e+00 -4.101478537e+00 3.40 -4.034609478e+00 -4.034609478e+00 3.42 -3.967250790e+00 -3.967250790e+00 3.44 -3.899511837e+00 -3.899511837e+00 3.46 -3.831489734e+00 -3.831489734e+00 3.48 -3.763269673e+00 -3.763269673e+00 3.50 -3.694927604e+00 -3.694927604e+00 3.52 -3.626532441e+00 -3.626532441e+00 3.54 -3.558147986e+00 -3.558147986e+00 3.56 -3.489836458e+00 -3.489836458e+00 3.58 -3.421656172e+00 -3.421656172e+00 3.60 -3.353659480e+00 -3.353659480e+00 3.62 -3.285892574e+00 -3.285892574e+00 3.64 -3.218395389e+00 -3.218395389e+00 3.66 -3.151201779e+00 -3.151201779e+00 3.68 -3.084340155e+00 -3.084340155e+00 3.70 -3.017834688e+00 -3.017834688e+00 3.72 -2.951707153e+00 -2.951707153e+00 3.74 -2.885979399e+00 -2.885979399e+00 3.76 -2.820676316e+00 -2.820676316e+00 3.78 -2.755829016e+00 -2.755829016e+00 3.80 -2.691477802e+00 -2.691477802e+00 3.82 -2.627674347e+00 -2.627674347e+00 3.84 -2.564482484e+00 -2.564482484e+00 3.86 -2.501977137e+00 -2.501977137e+00 3.88 -2.440241191e+00 -2.440241191e+00 3.90 -2.379360592e+00 -2.379360592e+00 3.92 -2.319414978e+00 -2.319414978e+00 3.94 -2.260486007e+00 -2.260486007e+00 3.96 -2.202629816e+00 -2.202629816e+00 3.98 -2.145889897e+00 -2.145889897e+00 4.00 -2.090291926e+00 -2.090291926e+00 4.02 -2.035844862e+00 -2.035844862e+00 4.04 -1.982543516e+00 -1.982543516e+00 4.06 -1.930371932e+00 -1.930371932e+00 4.08 -1.879306951e+00 -1.879306951e+00 4.10 -1.829314674e+00 -1.829314674e+00 4.12 -1.780381828e+00 -1.780381828e+00 4.14 -1.732472836e+00 -1.732472836e+00 4.16 -1.685563073e+00 -1.685563073e+00 4.18 -1.639631482e+00 -1.639631482e+00 4.20 -1.594661187e+00 -1.594661187e+00 4.22 -1.550639737e+00 -1.550639737e+00 4.24 -1.507559057e+00 -1.507559057e+00 4.26 -1.465415109e+00 -1.465415109e+00 4.28 -1.424207301e+00 -1.424207301e+00 4.30 -1.383937648e+00 -1.383937648e+00 4.32 -1.344609737e+00 -1.344609737e+00 4.34 -1.306227556e+00 -1.306227556e+00 4.36 -1.268794270e+00 -1.268794270e+00 4.38 -1.232311050e+00 -1.232311050e+00 4.40 -1.196776068e+00 -1.196776068e+00 4.42 -1.162183734e+00 -1.162183734e+00 4.44 -1.128524239e+00 -1.128524239e+00 4.46 -1.095783418e+00 -1.095783418e+00 4.48 -1.063942910e+00 -1.063942910e+00 4.50 -1.032980552e+00 -1.032980552e+00 4.52 -1.002870948e+00 -1.002870948e+00 4.54 -9.735861235e-01 -9.735861235e-01 4.56 -9.450962145e-01 -9.450962145e-01 4.58 -9.173701203e-01 -9.173701203e-01 4.60 -8.903761061e-01 -8.903761061e-01 4.62 -8.640823311e-01 -8.640823311e-01 4.64 -8.384573043e-01 -8.384573043e-01 4.66 -8.134702793e-01 -8.134702793e-01 4.68 -7.890916014e-01 -7.890916014e-01 4.70 -7.652930259e-01 -7.652930259e-01 4.72 -7.420480223e-01 -7.420480223e-01 4.74 -7.193320749e-01 -7.193320749e-01 4.76 -6.971229881e-01 -6.971229881e-01 4.78 -6.754011920e-01 -6.754011920e-01 4.80 -6.541439409e-01 -6.541439409e-01 4.82 -6.333510273e-01 -6.333510273e-01 4.84 -6.130051281e-01 -6.130051281e-01 4.86 -5.930998425e-01 -5.930998425e-01 4.88 -5.736323822e-01 -5.736323822e-01 4.90 -5.546034655e-01 -5.546034655e-01 4.92 -5.360170384e-01 -5.360170384e-01 4.94 -5.178798071e-01 -5.178798071e-01 4.96 -5.002005815e-01 -5.002005815e-01 4.98 -4.829894510e-01 -4.829894510e-01 5.00 -4.662568371e-01 -4.662568371e-01 5.02 -4.500124836e-01 -4.500124836e-01 5.04 -4.342644610e-01 -4.342644610e-01 5.06 -4.190182659e-01 -4.190182659e-01 5.08 -4.042760876e-01 -4.042760876e-01 5.10 -3.900363010e-01 -3.900363010e-01 5.12 -3.762932186e-01 -3.762932186e-01 5.14 -3.630371098e-01 -3.630371098e-01 5.16 -3.502544714e-01 -3.502544714e-01 5.18 -3.379285112e-01 -3.379285112e-01 5.20 -3.260397963e-01 -3.260397963e-01 5.22 -3.145670110e-01 -3.145670110e-01 5.24 -3.034877714e-01 -3.034877714e-01 5.26 -2.927794486e-01 -2.927794486e-01 5.28 -2.824199604e-01 -2.824199604e-01 5.30 -2.723885003e-01 -2.723885003e-01 5.32 -2.626661754e-01 -2.626661754e-01 5.34 -2.532365317e-01 -2.532365317e-01 5.36 -2.440859459e-01 -2.440859459e-01 5.38 -2.352038660e-01 -2.352038660e-01 5.40 -2.265828824e-01 -2.265828824e-01 5.42 -2.182186219e-01 -2.182186219e-01 5.44 -2.101094592e-01 -2.101094592e-01 5.46 -2.022560596e-01 -2.022560596e-01 5.48 -1.946607765e-01 -1.946607765e-01 5.50 -1.873269451e-01 -1.873269451e-01 5.52 -1.802581291e-01 -1.802581291e-01 5.54 -1.734573814e-01 -1.734573814e-01 5.56 -1.669265801e-01 -1.669265801e-01 5.58 -1.606658937e-01 -1.606658937e-01 5.60 -1.546733525e-01 -1.546733525e-01 5.62 -1.489444355e-01 -1.489444355e-01 5.64 -1.434728600e-01 -1.434728600e-01 5.66 -1.382502265e-01 -1.382502265e-01 5.68 -1.332661836e-01 -1.332661836e-01 5.70 -1.285087895e-01 -1.285087895e-01 5.72 -1.239649088e-01 -1.239649088e-01 5.74 -1.196206060e-01 -1.196206060e-01 5.76 -1.154615108e-01 -1.154615108e-01 5.78 -1.114731352e-01 -1.114731352e-01 5.80 -1.076411350e-01 -1.076411350e-01 5.82 -1.039515122e-01 -1.039515122e-01 5.84 -1.003907639e-01 -1.003907639e-01 5.86 -9.694598348e-02 -9.694598348e-02 5.88 -9.360492408e-02 -9.360492408e-02 5.90 -9.035603370e-02 -9.035603370e-02 5.92 -8.718847189e-02 -8.718847189e-02 5.94 -8.409211647e-02 -8.409211647e-02 5.96 -8.105756798e-02 -8.105756798e-02 5.98 -7.807615829e-02 -7.807615829e-02 6.00 -7.513996816e-02 -7.513996816e-02