# 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 = AgFe2Ni # 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 1.881250193e+02 1.881250193e+02 1.30 1.721611663e+02 1.721611663e+02 1.32 1.575161279e+02 1.575161279e+02 1.34 1.440708987e+02 1.440708987e+02 1.36 1.317207062e+02 1.317207062e+02 1.38 1.203738548e+02 1.203738548e+02 1.40 1.099491161e+02 1.099491161e+02 1.42 1.003731608e+02 1.003731608e+02 1.44 9.157882318e+01 9.157882318e+01 1.46 8.350411609e+01 8.350411609e+01 1.48 7.609172052e+01 7.609172052e+01 1.50 6.928872156e+01 6.928872156e+01 1.52 6.304638775e+01 6.304638775e+01 1.54 5.731984122e+01 5.731984122e+01 1.56 5.206758044e+01 5.206758044e+01 1.58 4.725098740e+01 4.725098740e+01 1.60 4.283396947e+01 4.283396947e+01 1.62 3.878280440e+01 3.878280440e+01 1.64 3.506751958e+01 3.506751958e+01 1.66 3.166107538e+01 3.166107538e+01 1.68 2.853752287e+01 2.853752287e+01 1.70 2.567315095e+01 2.567315095e+01 1.72 2.304630359e+01 2.304630359e+01 1.74 2.063718956e+01 2.063718956e+01 1.76 1.842771861e+01 1.842771861e+01 1.78 1.640139735e+01 1.640139735e+01 1.80 1.454328033e+01 1.454328033e+01 1.82 1.283992381e+01 1.283992381e+01 1.84 1.127927775e+01 1.127927775e+01 1.86 9.850490066e+00 9.850490066e+00 1.88 8.543654739e+00 8.543654739e+00 1.90 7.349564266e+00 7.349564266e+00 1.92 6.259513827e+00 6.259513827e+00 1.94 5.265179109e+00 5.265179109e+00 1.96 4.358572295e+00 4.358572295e+00 1.98 3.532067838e+00 3.532067838e+00 2.00 2.778476783e+00 2.778476783e+00 2.02 2.091140508e+00 2.091140508e+00 2.04 1.464014333e+00 1.464014333e+00 2.06 8.917165080e-01 8.917165080e-01 2.08 3.695279403e-01 3.695279403e-01 2.10 -1.066575247e-01 -1.066575247e-01 2.12 -5.404189214e-01 -5.404189214e-01 2.14 -9.349098826e-01 -9.349098826e-01 2.16 -1.292957334e+00 -1.292957334e+00 2.18 -1.617144550e+00 -1.617144550e+00 2.20 -1.909873339e+00 -1.909873339e+00 2.22 -2.173405810e+00 -2.173405810e+00 2.24 -2.409889350e+00 -2.409889350e+00 2.26 -2.621369592e+00 -2.621369592e+00 2.28 -2.809796271e+00 -2.809796271e+00 2.30 -2.977025462e+00 -2.977025462e+00 2.32 -3.124818696e+00 -3.124818696e+00 2.34 -3.254836243e+00 -3.254836243e+00 2.36 -3.368622841e+00 -3.368622841e+00 2.38 -3.467587026e+00 -3.467587026e+00 2.40 -3.552985578e+00 -3.552985578e+00 2.42 -3.625924920e+00 -3.625924920e+00 2.44 -3.687375444e+00 -3.687375444e+00 2.46 -3.738198285e+00 -3.738198285e+00 2.48 -3.779178057e+00 -3.779178057e+00 2.50 -3.811036725e+00 -3.811036725e+00 2.52 -3.834300814e+00 -3.834300814e+00 2.54 -3.849434871e+00 -3.849434871e+00 2.56 -3.856940588e+00 -3.856940588e+00 2.58 -3.857346775e+00 -3.857346775e+00 2.60 -3.851195962e+00 -3.851195962e+00 2.62 -3.839029822e+00 -3.839029822e+00 2.64 -3.821281255e+00 -3.821281255e+00 2.66 -3.798166295e+00 -3.798166295e+00 2.68 -3.769684082e+00 -3.769684082e+00 2.70 -3.735887729e+00 -3.735887729e+00 2.72 -3.696904668e+00 -3.696904668e+00 2.74 -3.652928280e+00 -3.652928280e+00 2.76 -3.604210355e+00 -3.604210355e+00 2.78 -3.551052904e+00 -3.551052904e+00 2.80 -3.493805878e+00 -3.493805878e+00 2.82 -3.432851956e+00 -3.432851956e+00 2.84 -3.368587804e+00 -3.368587804e+00 2.86 -3.301414124e+00 -3.301414124e+00 2.88 -3.231726120e+00 -3.231726120e+00 2.90 -3.159903875e+00 -3.159903875e+00 2.92 -3.086302948e+00 -3.086302948e+00 2.94 -3.011246239e+00 -3.011246239e+00 2.96 -2.935018400e+00 -2.935018400e+00 2.98 -2.857863760e+00 -2.857863760e+00 3.00 -2.779987934e+00 -2.779987934e+00 3.02 -2.701562543e+00 -2.701562543e+00 3.04 -2.622731917e+00 -2.622731917e+00 3.06 -2.543620586e+00 -2.543620586e+00 3.08 -2.464340616e+00 -2.464340616e+00 3.10 -2.384998459e+00 -2.384998459e+00 3.12 -2.305701391e+00 -2.305701391e+00 3.14 -2.226563915e+00 -2.226563915e+00 3.16 -2.147714269e+00 -2.147714269e+00 3.18 -2.069300782e+00 -2.069300782e+00 3.20 -1.991497256e+00 -1.991497256e+00 3.22 -1.914506223e+00 -1.914506223e+00 3.24 -1.838558932e+00 -1.838558932e+00 3.26 -1.763911285e+00 -1.763911285e+00 3.28 -1.690835580e+00 -1.690835580e+00 3.30 -1.619608667e+00 -1.619608667e+00 3.32 -1.550497816e+00 -1.550497816e+00 3.34 -1.483746051e+00 -1.483746051e+00 3.36 -1.419558822e+00 -1.419558822e+00 3.38 -1.358093651e+00 -1.358093651e+00 3.40 -1.299453853e+00 -1.299453853e+00 3.42 -1.243686717e+00 -1.243686717e+00 3.44 -1.190785880e+00 -1.190785880e+00 3.46 -1.140697082e+00 -1.140697082e+00 3.48 -1.093326176e+00 -1.093326176e+00 3.50 -1.048548258e+00 -1.048548258e+00 3.52 -1.006216862e+00 -1.006216862e+00 3.54 -9.661724638e-01 -9.661724638e-01 3.56 -9.282497938e-01 -9.282497938e-01 3.58 -8.922837418e-01 -8.922837418e-01 3.60 -8.581138447e-01 -8.581138447e-01 3.62 -8.255874904e-01 -8.255874904e-01 3.64 -7.945620556e-01 -7.945620556e-01 3.66 -7.649062217e-01 -7.649062217e-01 3.68 -7.365007076e-01 -7.365007076e-01 3.70 -7.092386233e-01 -7.092386233e-01 3.72 -6.830255982e-01 -6.830255982e-01 3.74 -6.577797807e-01 -6.577797807e-01 3.76 -6.334317392e-01 -6.334317392e-01 3.78 -6.099242345e-01 -6.099242345e-01 3.80 -5.872117799e-01 -5.872117799e-01 3.82 -5.652598748e-01 -5.652598748e-01 3.84 -5.440438016e-01 -5.440438016e-01 3.86 -5.235469207e-01 -5.235469207e-01 3.88 -5.037584859e-01 -5.037584859e-01 3.90 -4.846711119e-01 -4.846711119e-01 3.92 -4.662781285e-01 -4.662781285e-01 3.94 -4.485711192e-01 -4.485711192e-01 3.96 -4.315379265e-01 -4.315379265e-01 3.98 -4.151613453e-01 -4.151613453e-01 4.00 -3.994185842e-01 -3.994185842e-01 4.02 -3.842814511e-01 -3.842814511e-01 4.04 -3.697171187e-01 -3.697171187e-01 4.06 -3.556892597e-01 -3.556892597e-01 4.08 -3.421590304e-01 -3.421590304e-01 4.10 -3.290871083e-01 -3.290871083e-01 4.12 -3.164346444e-01 -3.164346444e-01 4.14 -3.041639202e-01 -3.041639202e-01 4.16 -2.922392768e-01 -2.922392768e-01 4.18 -2.806278396e-01 -2.806278396e-01 4.20 -2.693000885e-01 -2.693000885e-01 4.22 -2.582303102e-01 -2.582303102e-01 4.24 -2.473969606e-01 -2.473969606e-01 4.26 -2.367829503e-01 -2.367829503e-01 4.28 -2.263758588e-01 -2.263758588e-01 4.30 -2.161680706e-01 -2.161680706e-01 4.32 -2.061568238e-01 -2.061568238e-01 4.34 -1.963441578e-01 -1.963441578e-01 4.36 -1.867367417e-01 -1.867367417e-01 4.38 -1.773455632e-01 -1.773455632e-01 4.40 -1.681854525e-01 -1.681854525e-01 4.42 -1.592744142e-01 -1.592744142e-01 4.44 -1.506327454e-01 -1.506327454e-01 4.46 -1.422818980e-01 -1.422818980e-01 4.48 -1.342430935e-01 -1.342430935e-01 4.50 -1.265363713e-01 -1.265363713e-01 4.52 -1.191788605e-01 -1.191788605e-01 4.54 -1.121834624e-01 -1.121834624e-01 4.56 -1.055578540e-01 -1.055578540e-01 4.58 -9.930386206e-02 -9.930386206e-02 4.60 -9.341726728e-02 -9.341726728e-02 4.62 -8.788804372e-02 -8.788804372e-02 4.64 -8.270097858e-02 -8.270097858e-02 4.66 -7.783657998e-02 -7.783657998e-02 4.68 -7.327215924e-02 -7.327215924e-02 4.70 -6.898297589e-02 -6.898297589e-02 4.72 -6.494335123e-02 -6.494335123e-02 4.74 -6.112768200e-02 -6.112768200e-02 4.76 -5.751131318e-02 -5.751131318e-02 4.78 -5.407125271e-02 -5.407125271e-02 4.80 -5.078672758e-02 -5.078672758e-02 4.82 -4.763959454e-02 -4.763959454e-02 4.84 -4.461461017e-02 -4.461461017e-02 4.86 -4.169958511e-02 -4.169958511e-02 4.88 -3.888542244e-02 -3.888542244e-02 4.90 -3.616604932e-02 -3.616604932e-02 4.92 -3.353824452e-02 -3.353824452e-02 4.94 -3.100136536e-02 -3.100136536e-02 4.96 -2.855697631e-02 -2.855697631e-02 4.98 -2.620839577e-02 -2.620839577e-02 5.00 -2.396017866e-02 -2.396017866e-02 5.02 -2.181756052e-02 -2.181756052e-02 5.04 -1.978589733e-02 -1.978589733e-02 5.06 -1.787013782e-02 -1.787013782e-02 5.08 -1.607427770e-02 -1.607427770e-02 5.10 -1.440071346e-02 -1.440071346e-02 5.12 -1.285102624e-02 -1.285102624e-02 5.14 -1.142523215e-02 -1.142523215e-02 5.16 -1.012165714e-02 -1.012165714e-02 5.18 -8.937052544e-03 -8.937052544e-03 5.20 -7.866790732e-03 -7.866790732e-03 5.22 -6.905113664e-03 -6.905113664e-03 5.24 -6.045407085e-03 -6.045407085e-03 5.26 -5.280476655e-03 -5.280476655e-03 5.28 -4.602807301e-03 -4.602807301e-03 5.30 -4.004792787e-03 -4.004792787e-03 5.32 -3.478928079e-03 -3.478928079e-03 5.34 -3.017961774e-03 -3.017961774e-03 5.36 -2.615009496e-03 -2.615009496e-03 5.38 -2.263631650e-03 -2.263631650e-03 5.40 -1.957880347e-03 -1.957880347e-03 5.42 -1.692320933e-03 -1.692320933e-03 5.44 -1.462033541e-03 -1.462033541e-03 5.46 -1.262599675e-03 -1.262599675e-03 5.48 -1.090078215e-03 -1.090078215e-03 5.50 -9.409744843e-04 -9.409744843e-04 5.52 -8.122053179e-04 -8.122053179e-04 5.54 -7.010623884e-04 -7.010623884e-04 5.56 -6.051754575e-04 -6.051754575e-04 5.58 -5.224767399e-04 -5.224767399e-04 5.60 -4.511671696e-04 -4.511671696e-04 5.62 -3.896850507e-04 -3.896850507e-04 5.64 -3.366773453e-04 -3.366773453e-04 5.66 -2.909736795e-04 -2.909736795e-04 5.68 -2.515630342e-04 -2.515630342e-04 5.70 -2.175730025e-04 -2.175730025e-04 5.72 -1.882514519e-04 -1.882514519e-04 5.74 -1.629503971e-04 -1.629503971e-04 5.76 -1.411118807e-04 -1.411118807e-04 5.78 -1.222556576e-04 -1.222556576e-04 5.80 -1.059684869e-04 -1.059684869e-04 5.82 -9.189484386e-05 -9.189484386e-05 5.84 -7.972888356e-05 -7.972888356e-05 5.86 -6.920749782e-05 -6.920749782e-05 5.88 -6.010432688e-05 -6.010432688e-05 5.90 -5.222460047e-05 -5.222460047e-05 5.92 -4.540069763e-05 -4.540069763e-05 5.94 -3.948832836e-05 -3.948832836e-05 5.96 -3.436325188e-05 -3.436325188e-05 5.98 -2.991845748e-05 -2.991845748e-05 6.00 -2.606174347e-05 -2.606174347e-05