# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au2CuPd # 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 2022-05-24 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 7.660377066e+02 7.660377066e+02 1.00 6.993275552e+02 6.993275552e+02 1.02 6.390003170e+02 6.390003170e+02 1.04 5.843964511e+02 5.843964511e+02 1.06 5.349294429e+02 5.349294429e+02 1.08 4.900755808e+02 4.900755808e+02 1.10 4.493691237e+02 4.493691237e+02 1.12 4.123932751e+02 4.123932751e+02 1.14 3.787763203e+02 3.787763203e+02 1.16 3.481826611e+02 3.481826611e+02 1.18 3.203161184e+02 3.203161184e+02 1.20 2.949102539e+02 2.949102539e+02 1.22 2.717265764e+02 2.717265764e+02 1.24 2.505483167e+02 2.505483167e+02 1.26 2.311818607e+02 2.311818607e+02 1.28 2.134545218e+02 2.134545218e+02 1.30 1.972114471e+02 1.972114471e+02 1.32 1.823130784e+02 1.823130784e+02 1.34 1.686335141e+02 1.686335141e+02 1.36 1.560587159e+02 1.560587159e+02 1.38 1.444867451e+02 1.444867451e+02 1.40 1.338271506e+02 1.338271506e+02 1.42 1.239981769e+02 1.239981769e+02 1.44 1.149254031e+02 1.149254031e+02 1.46 1.065423179e+02 1.065423179e+02 1.48 9.878815460e+01 9.878815460e+01 1.50 9.160844404e+01 9.160844404e+01 1.52 8.495409164e+01 8.495409164e+01 1.54 7.878000142e+01 7.878000142e+01 1.56 7.304686774e+01 7.304686774e+01 1.58 6.771879846e+01 6.771879846e+01 1.60 6.276276481e+01 6.276276481e+01 1.62 5.814900548e+01 5.814900548e+01 1.64 5.384990723e+01 5.384990723e+01 1.66 4.984164998e+01 4.984164998e+01 1.68 4.610197662e+01 4.610197662e+01 1.70 4.261031623e+01 4.261031623e+01 1.72 3.934815826e+01 3.934815826e+01 1.74 3.629858280e+01 3.629858280e+01 1.76 3.344553722e+01 3.344553722e+01 1.78 3.077509761e+01 3.077509761e+01 1.80 2.827688595e+01 2.827688595e+01 1.82 2.593827777e+01 2.593827777e+01 1.84 2.375112065e+01 2.375112065e+01 1.86 2.170302683e+01 2.170302683e+01 1.88 1.977238741e+01 1.977238741e+01 1.90 1.797423549e+01 1.797423549e+01 1.92 1.628622880e+01 1.628622880e+01 1.94 1.470248794e+01 1.470248794e+01 1.96 1.321782462e+01 1.321782462e+01 1.98 1.182732545e+01 1.182732545e+01 2.00 1.052611648e+01 1.052611648e+01 2.02 9.309657474e+00 9.309657474e+00 2.04 8.173693744e+00 8.173693744e+00 2.06 7.114002095e+00 7.114002095e+00 2.08 6.126614579e+00 6.126614579e+00 2.10 5.208038058e+00 5.208038058e+00 2.12 4.354629105e+00 4.354629105e+00 2.14 3.562878224e+00 3.562878224e+00 2.16 2.829227160e+00 2.829227160e+00 2.18 2.150597045e+00 2.150597045e+00 2.20 1.523987104e+00 1.523987104e+00 2.22 9.462799898e-01 9.462799898e-01 2.24 4.147852908e-01 4.147852908e-01 2.26 -7.263714910e-02 -7.263714910e-02 2.28 -5.188269728e-01 -5.188269728e-01 2.30 -9.265987699e-01 -9.265987699e-01 2.32 -1.298327221e+00 -1.298327221e+00 2.34 -1.636184982e+00 -1.636184982e+00 2.36 -1.942066395e+00 -1.942066395e+00 2.38 -2.218189126e+00 -2.218189126e+00 2.40 -2.466275039e+00 -2.466275039e+00 2.42 -2.688275862e+00 -2.688275862e+00 2.44 -2.886027337e+00 -2.886027337e+00 2.46 -3.061162072e+00 -3.061162072e+00 2.48 -3.215301579e+00 -3.215301579e+00 2.50 -3.349717998e+00 -3.349717998e+00 2.52 -3.465942833e+00 -3.465942833e+00 2.54 -3.565305733e+00 -3.565305733e+00 2.56 -3.649041354e+00 -3.649041354e+00 2.58 -3.718297965e+00 -3.718297965e+00 2.60 -3.774820599e+00 -3.774820599e+00 2.62 -3.819209033e+00 -3.819209033e+00 2.64 -3.852067564e+00 -3.852067564e+00 2.66 -3.874510192e+00 -3.874510192e+00 2.68 -3.887199308e+00 -3.887199308e+00 2.70 -3.891030704e+00 -3.891030704e+00 2.72 -3.886818447e+00 -3.886818447e+00 2.74 -3.875265067e+00 -3.875265067e+00 2.76 -3.857023931e+00 -3.857023931e+00 2.78 -3.833086237e+00 -3.833086237e+00 2.80 -3.803972960e+00 -3.803972960e+00 2.82 -3.769884629e+00 -3.769884629e+00 2.84 -3.731318604e+00 -3.731318604e+00 2.86 -3.688634898e+00 -3.688634898e+00 2.88 -3.641707659e+00 -3.641707659e+00 2.90 -3.591679091e+00 -3.591679091e+00 2.92 -3.539256607e+00 -3.539256607e+00 2.94 -3.484370379e+00 -3.484370379e+00 2.96 -3.427341941e+00 -3.427341941e+00 2.98 -3.368469171e+00 -3.368469171e+00 3.00 -3.308027759e+00 -3.308027759e+00 3.02 -3.246285815e+00 -3.246285815e+00 3.04 -3.183480823e+00 -3.183480823e+00 3.06 -3.119574543e+00 -3.119574543e+00 3.08 -3.054413643e+00 -3.054413643e+00 3.10 -2.988720933e+00 -2.988720933e+00 3.12 -2.922774995e+00 -2.922774995e+00 3.14 -2.856718942e+00 -2.856718942e+00 3.16 -2.790692843e+00 -2.790692843e+00 3.18 -2.724822984e+00 -2.724822984e+00 3.20 -2.659224163e+00 -2.659224163e+00 3.22 -2.594000485e+00 -2.594000485e+00 3.24 -2.529240584e+00 -2.529240584e+00 3.26 -2.465318590e+00 -2.465318590e+00 3.28 -2.402107222e+00 -2.402107222e+00 3.30 -2.339574786e+00 -2.339574786e+00 3.32 -2.277783044e+00 -2.277783044e+00 3.34 -2.216786974e+00 -2.216786974e+00 3.36 -2.156635427e+00 -2.156635427e+00 3.38 -2.097371432e+00 -2.097371432e+00 3.40 -2.039056472e+00 -2.039056472e+00 3.42 -1.982031874e+00 -1.982031874e+00 3.44 -1.925977868e+00 -1.925977868e+00 3.46 -1.870919474e+00 -1.870919474e+00 3.48 -1.816847057e+00 -1.816847057e+00 3.50 -1.763758984e+00 -1.763758984e+00 3.52 -1.711613879e+00 -1.711613879e+00 3.54 -1.660415166e+00 -1.660415166e+00 3.56 -1.610255215e+00 -1.610255215e+00 3.58 -1.561185079e+00 -1.561185079e+00 3.60 -1.513197400e+00 -1.513197400e+00 3.62 -1.466272340e+00 -1.466272340e+00 3.64 -1.420415495e+00 -1.420415495e+00 3.66 -1.375639085e+00 -1.375639085e+00 3.68 -1.331931394e+00 -1.331931394e+00 3.70 -1.289214626e+00 -1.289214626e+00 3.72 -1.247424415e+00 -1.247424415e+00 3.74 -1.206537353e+00 -1.206537353e+00 3.76 -1.166585370e+00 -1.166585370e+00 3.78 -1.127616090e+00 -1.127616090e+00 3.80 -1.089658885e+00 -1.089658885e+00 3.82 -1.052705236e+00 -1.052705236e+00 3.84 -1.016717534e+00 -1.016717534e+00 3.86 -9.816779120e-01 -9.816779120e-01 3.88 -9.475818953e-01 -9.475818953e-01 3.90 -9.144193123e-01 -9.144193123e-01 3.92 -8.821817186e-01 -8.821817186e-01 3.94 -8.508112109e-01 -8.508112109e-01 3.96 -8.202040577e-01 -8.202040577e-01 3.98 -7.904222738e-01 -7.904222738e-01 4.00 -7.614874281e-01 -7.614874281e-01 4.02 -7.334060302e-01 -7.334060302e-01 4.04 -7.062288899e-01 -7.062288899e-01 4.06 -6.799962680e-01 -6.799962680e-01 4.08 -6.547388653e-01 -6.547388653e-01 4.10 -6.305857504e-01 -6.305857504e-01 4.12 -6.074233932e-01 -6.074233932e-01 4.14 -5.850947640e-01 -5.850947640e-01 4.16 -5.634762466e-01 -5.634762466e-01 4.18 -5.423973825e-01 -5.423973825e-01 4.20 -5.217055564e-01 -5.217055564e-01 4.22 -5.012926459e-01 -5.012926459e-01 4.24 -4.810860531e-01 -4.810860531e-01 4.26 -4.610410604e-01 -4.610410604e-01 4.28 -4.411161314e-01 -4.411161314e-01 4.30 -4.217181515e-01 -4.217181515e-01 4.32 -4.026302438e-01 -4.026302438e-01 4.34 -3.836324675e-01 -3.836324675e-01 4.36 -3.647835754e-01 -3.647835754e-01 4.38 -3.461686941e-01 -3.461686941e-01 4.40 -3.278574047e-01 -3.278574047e-01 4.42 -3.099410000e-01 -3.099410000e-01 4.44 -2.924994745e-01 -2.924994745e-01 4.46 -2.755925439e-01 -2.755925439e-01 4.48 -2.592631266e-01 -2.592631266e-01 4.50 -2.435402887e-01 -2.435402887e-01 4.52 -2.284417404e-01 -2.284417404e-01 4.54 -2.139759435e-01 -2.139759435e-01 4.56 -2.001438172e-01 -2.001438172e-01 4.58 -1.869343814e-01 -1.869343814e-01 4.60 -1.745091235e-01 -1.745091235e-01 4.62 -1.628394153e-01 -1.628394153e-01 4.64 -1.517364163e-01 -1.517364163e-01 4.66 -1.411879174e-01 -1.411879174e-01 4.68 -1.311744970e-01 -1.311744970e-01 4.70 -1.216758405e-01 -1.216758405e-01 4.72 -1.126711274e-01 -1.126711274e-01 4.74 -1.041393264e-01 -1.041393264e-01 4.76 -9.605943310e-02 -9.605943310e-02 4.78 -8.841065696e-02 -8.841065696e-02 4.80 -8.116281630e-02 -8.116281630e-02 4.82 -7.459428021e-02 -7.459428021e-02 4.84 -6.849122416e-02 -6.849122416e-02 4.86 -6.271393708e-02 -6.271393708e-02 4.88 -5.724615650e-02 -5.724615650e-02 4.90 -5.207223102e-02 -5.207223102e-02 4.92 -4.717675028e-02 -4.717675028e-02 4.94 -4.249973137e-02 -4.249973137e-02 4.96 -3.873290638e-02 -3.873290638e-02 4.98 -3.581095242e-02 -3.581095242e-02 5.00 -3.300530339e-02 -3.300530339e-02 5.02 -3.035232754e-02 -3.035232754e-02 5.04 -2.784425913e-02 -2.784425913e-02 5.06 -2.547338817e-02 -2.547338817e-02 5.08 -2.323239041e-02 -2.323239041e-02 5.10 -2.111431180e-02 -2.111431180e-02 5.12 -1.911255292e-02 -1.911255292e-02 5.14 -1.722085338e-02 -1.722085338e-02 5.16 -1.543327644e-02 -1.543327644e-02 5.18 -1.374419402e-02 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