# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuCu2Ni # 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 2026-08-31 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 3.580956349e+06 3.580956349e+06 0.88 3.246382635e+06 3.246382635e+06 0.90 2.941320910e+06 2.941320910e+06 0.92 2.662677582e+06 2.662677582e+06 0.94 2.407698042e+06 2.407698042e+06 0.96 2.173968780e+06 2.173968780e+06 0.98 1.959310456e+06 1.959310456e+06 1.00 1.761864828e+06 1.761864828e+06 1.02 1.579955586e+06 1.579955586e+06 1.04 1.412118707e+06 1.412118707e+06 1.06 1.257063685e+06 1.257063685e+06 1.08 1.113618903e+06 1.113618903e+06 1.10 9.807562619e+05 9.807562619e+05 1.12 8.575631194e+05 8.575631194e+05 1.14 7.431941308e+05 7.431941308e+05 1.16 6.368647130e+05 6.368647130e+05 1.18 5.378994545e+05 5.378994545e+05 1.20 4.456956457e+05 4.456956457e+05 1.22 3.600076754e+05 3.600076754e+05 1.24 2.853502308e+05 2.853502308e+05 1.26 2.245135619e+05 2.245135619e+05 1.28 1.769595388e+05 1.769595388e+05 1.30 1.397091293e+05 1.397091293e+05 1.32 1.104709102e+05 1.104709102e+05 1.34 8.747420166e+04 8.747420166e+04 1.36 6.935567896e+04 6.935567896e+04 1.38 5.505689385e+04 5.505689385e+04 1.40 4.375390267e+04 4.375390267e+04 1.42 3.480715682e+04 3.480715682e+04 1.44 2.771588491e+04 2.771588491e+04 1.46 2.208733841e+04 2.208733841e+04 1.48 1.761313287e+04 1.761313287e+04 1.50 1.405228489e+04 1.405228489e+04 1.52 1.121598355e+04 1.121598355e+04 1.54 8.955243909e+03 8.955243909e+03 1.56 7.151987337e+03 7.151987337e+03 1.58 5.712870733e+03 5.712870733e+03 1.60 4.563887359e+03 4.563887359e+03 1.62 3.646217718e+03 3.646217718e+03 1.64 2.912970288e+03 2.912970288e+03 1.66 2.326841238e+03 2.326841238e+03 1.68 1.858060390e+03 1.858060390e+03 1.70 1.483041415e+03 1.483041415e+03 1.72 1.183074962e+03 1.183074962e+03 1.74 9.431624654e+02 9.431624654e+02 1.76 7.513255408e+02 7.513255408e+02 1.78 5.979568359e+02 5.979568359e+02 1.80 4.753721484e+02 4.753721484e+02 1.82 3.774519138e+02 3.774519138e+02 1.84 2.992861965e+02 2.992861965e+02 1.86 2.369357213e+02 2.369357213e+02 1.88 1.872401832e+02 1.872401832e+02 1.90 1.476568871e+02 1.476568871e+02 1.92 1.161543377e+02 1.161543377e+02 1.94 9.110564356e+01 9.110564356e+01 1.96 7.119937592e+01 7.119937592e+01 1.98 5.539885722e+01 5.539885722e+01 2.00 4.286994567e+01 4.286994567e+01 2.02 3.294606918e+01 3.294606918e+01 2.04 2.509737424e+01 2.509737424e+01 2.06 1.889929163e+01 1.889929163e+01 2.08 1.401188030e+01 1.401188030e+01 2.10 1.016334653e+01 1.016334653e+01 2.12 7.136653068e+00 7.136653068e+00 2.14 4.758899282e+00 4.758899282e+00 2.16 2.892624176e+00 2.892624176e+00 2.18 1.428575259e+00 1.428575259e+00 2.20 2.803049889e-01 2.803049889e-01 2.22 -6.203734805e-01 -6.203734805e-01 2.24 -1.327171007e+00 -1.327171007e+00 2.26 -1.882379513e+00 -1.882379513e+00 2.28 -2.319128504e+00 -2.319128504e+00 2.30 -2.663320255e+00 -2.663320255e+00 2.32 -2.935158691e+00 -2.935158691e+00 2.34 -3.150345347e+00 -3.150345347e+00 2.36 -3.321036481e+00 -3.321036481e+00 2.38 -3.456607325e+00 -3.456607325e+00 2.40 -3.564260833e+00 -3.564260833e+00 2.42 -3.649511205e+00 -3.649511205e+00 2.44 -3.716564398e+00 -3.716564398e+00 2.46 -3.768613571e+00 -3.768613571e+00 2.48 -3.808089396e+00 -3.808089396e+00 2.50 -3.836837035e+00 -3.836837035e+00 2.52 -3.856226509e+00 -3.856226509e+00 2.54 -3.867340532e+00 -3.867340532e+00 2.56 -3.870989680e+00 -3.870989680e+00 2.58 -3.867846103e+00 -3.867846103e+00 2.60 -3.858470697e+00 -3.858470697e+00 2.62 -3.843250428e+00 -3.843250428e+00 2.64 -3.822492201e+00 -3.822492201e+00 2.66 -3.796556014e+00 -3.796556014e+00 2.68 -3.765773653e+00 -3.765773653e+00 2.70 -3.730458629e+00 -3.730458629e+00 2.72 -3.690913038e+00 -3.690913038e+00 2.74 -3.647431994e+00 -3.647431994e+00 2.76 -3.600306275e+00 -3.600306275e+00 2.78 -3.549823649e+00 -3.549823649e+00 2.80 -3.496269267e+00 -3.496269267e+00 2.82 -3.439924690e+00 -3.439924690e+00 2.84 -3.381052572e+00 -3.381052572e+00 2.86 -3.319920029e+00 -3.319920029e+00 2.88 -3.256795086e+00 -3.256795086e+00 2.90 -3.191939200e+00 -3.191939200e+00 2.92 -3.125606262e+00 -3.125606262e+00 2.94 -3.058041671e+00 -3.058041671e+00 2.96 -2.989447314e+00 -2.989447314e+00 2.98 -2.920007430e+00 -2.920007430e+00 3.00 -2.849901291e+00 -2.849901291e+00 3.02 -2.779325747e+00 -2.779325747e+00 3.04 -2.708472406e+00 -2.708472406e+00 3.06 -2.637504291e+00 -2.637504291e+00 3.08 -2.566492985e+00 -2.566492985e+00 3.10 -2.495579704e+00 -2.495579704e+00 3.12 -2.424909807e+00 -2.424909807e+00 3.14 -2.354618133e+00 -2.354618133e+00 3.16 -2.284829238e+00 -2.284829238e+00 3.18 -2.215657655e+00 -2.215657655e+00 3.20 -2.147208207e+00 -2.147208207e+00 3.22 -2.079576347e+00 -2.079576347e+00 3.24 -2.012848518e+00 -2.012848518e+00 3.26 -1.947102534e+00 -1.947102534e+00 3.28 -1.882407983e+00 -1.882407983e+00 3.30 -1.818826623e+00 -1.818826623e+00 3.32 -1.756412796e+00 -1.756412796e+00 3.34 -1.695213838e+00 -1.695213838e+00 3.36 -1.635270486e+00 -1.635270486e+00 3.38 -1.576617283e+00 -1.576617283e+00 3.40 -1.519282970e+00 -1.519282970e+00 3.42 -1.463290877e+00 -1.463290877e+00 3.44 -1.408659298e+00 -1.408659298e+00 3.46 -1.355392586e+00 -1.355392586e+00 3.48 -1.303464802e+00 -1.303464802e+00 3.50 -1.252879032e+00 -1.252879032e+00 3.52 -1.203638338e+00 -1.203638338e+00 3.54 -1.155742456e+00 -1.155742456e+00 3.56 -1.109188078e+00 -1.109188078e+00 3.58 -1.063969119e+00 -1.063969119e+00 3.60 -1.020076976e+00 -1.020076976e+00 3.62 -9.775007626e-01 -9.775007626e-01 3.64 -9.362275398e-01 -9.362275398e-01 3.66 -8.962425258e-01 -8.962425258e-01 3.68 -8.575292975e-01 -8.575292975e-01 3.70 -8.200699764e-01 -8.200699764e-01 3.72 -7.838454037e-01 -7.838454037e-01 3.74 -7.488353027e-01 -7.488353027e-01 3.76 -7.150184301e-01 -7.150184301e-01 3.78 -6.823727162e-01 -6.823727162e-01 3.80 -6.508753948e-01 -6.508753948e-01 3.82 -6.205031237e-01 -6.205031237e-01 3.84 -5.912320944e-01 -5.912320944e-01 3.86 -5.630381347e-01 -5.630381347e-01 3.88 -5.358968015e-01 -5.358968015e-01 3.90 -5.097834662e-01 -5.097834662e-01 3.92 -4.846733930e-01 -4.846733930e-01 3.94 -4.605418095e-01 -4.605418095e-01 3.96 -4.373639712e-01 -4.373639712e-01 3.98 -4.151152196e-01 -4.151152196e-01 4.00 -3.937710351e-01 -3.937710351e-01 4.02 -3.733070835e-01 -3.733070835e-01 4.04 -3.536992588e-01 -3.536992588e-01 4.06 -3.349237206e-01 -3.349237206e-01 4.08 -3.169569269e-01 -3.169569269e-01 4.10 -2.997756641e-01 -2.997756641e-01 4.12 -2.833570720e-01 -2.833570720e-01 4.14 -2.676786665e-01 -2.676786665e-01 4.16 -2.527183583e-01 -2.527183583e-01 4.18 -2.384544693e-01 -2.384544693e-01 4.20 -2.248657462e-01 -2.248657462e-01 4.22 -2.119202626e-01 -2.119202626e-01 4.24 -1.995866767e-01 -1.995866767e-01 4.26 -1.878460151e-01 -1.878460151e-01 4.28 -1.766797300e-01 -1.766797300e-01 4.30 -1.660697014e-01 -1.660697014e-01 4.32 -1.559944657e-01 -1.559944657e-01 4.34 -1.463947820e-01 -1.463947820e-01 4.36 -1.372437472e-01 -1.372437472e-01 4.38 -1.285269425e-01 -1.285269425e-01 4.40 -1.202303264e-01 -1.202303264e-01 4.42 -1.123402314e-01 -1.123402314e-01 4.44 -1.048433605e-01 -1.048433605e-01 4.46 -9.772678271e-02 -9.772678271e-02 4.48 -9.097792831e-02 -9.097792831e-02 4.50 -8.458458355e-02 -8.458458355e-02 4.52 -7.853488574e-02 -7.853488574e-02 4.54 -7.281731574e-02 -7.281731574e-02 4.56 -6.742069332e-02 -6.742069332e-02 4.58 -6.233416949e-02 -6.233416949e-02 4.60 -5.754721963e-02 -5.754721963e-02 4.62 -5.304963835e-02 -5.304963835e-02 4.64 -4.883138784e-02 -4.883138784e-02 4.66 -4.488269698e-02 -4.488269698e-02 4.68 -4.119409663e-02 -4.119409663e-02 4.70 -3.775693561e-02 -3.775693561e-02 4.72 -3.456279492e-02 -3.456279492e-02 4.74 -3.160339681e-02 -3.160339681e-02 4.76 -2.887063516e-02 -2.887063516e-02 4.78 -2.635659891e-02 -2.635659891e-02 4.80 -2.405358771e-02 -2.405358771e-02 4.82 -2.195412431e-02 -2.195412431e-02 4.84 -2.005096238e-02 -2.005096238e-02 4.86 -1.833449896e-02 -1.833449896e-02 4.88 -1.678232734e-02 -1.678232734e-02 4.90 -1.537464363e-02 -1.537464363e-02 4.92 -1.410118846e-02 -1.410118846e-02 4.94 -1.295732770e-02 -1.295732770e-02 4.96 -1.193858425e-02 -1.193858425e-02 4.98 -1.104049361e-02 -1.104049361e-02 5.00 -1.022279696e-02 -1.022279696e-02 5.02 -9.447124933e-03 -9.447124933e-03 5.04 -8.712064455e-03 -8.712064455e-03 5.06 -8.016239036e-03 -8.016239036e-03 5.08 -7.358309192e-03 -7.358309192e-03 5.10 -6.736972888e-03 -6.736972888e-03 5.12 -6.150965733e-03 -6.150965733e-03 5.14 -5.599060968e-03 -5.599060968e-03 5.16 -5.080069280e-03 -5.080069280e-03 5.18 -4.592838461e-03 -4.592838461e-03 5.20 -4.136252947e-03 -4.136252947e-03 5.22 -3.709233257e-03 -3.709233257e-03 5.24 -3.310735338e-03 -3.310735338e-03 5.26 -2.939749853e-03 -2.939749853e-03 5.28 -2.595301405e-03 -2.595301405e-03 5.30 -2.276447728e-03 -2.276447728e-03 5.32 -1.982278837e-03 -1.982278837e-03 5.34 -1.711916163e-03 -1.711916163e-03 5.36 -1.464511673e-03 -1.464511673e-03 5.38 -1.239246975e-03 -1.239246975e-03 5.40 -1.035332432e-03 -1.035332432e-03 5.42 -8.520062647e-04 -8.520062647e-04 5.44 -6.885336746e-04 -6.885336746e-04 5.46 -5.442059666e-04 -5.442059666e-04 5.48 -4.183396902e-04 -4.183396902e-04 5.50 -3.102757927e-04 -3.102757927e-04 5.52 -2.193787909e-04 -2.193787909e-04 5.54 -1.450359603e-04 -1.450359603e-04 5.56 -8.665654415e-05 -8.665654415e-05 5.58 -4.367098291e-05 -4.367098291e-05 5.60 -1.553016443e-05 -1.553016443e-05 5.62 -1.704695776e-06 -1.704695776e-06 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