# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgAuNi2 # 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 5.259125579e+02 5.259125579e+02 1.00 4.787779542e+02 4.787779542e+02 1.02 4.362011369e+02 4.362011369e+02 1.04 3.977181160e+02 3.977181160e+02 1.06 3.629148675e+02 3.629148675e+02 1.08 3.314189345e+02 3.314189345e+02 1.10 3.028964148e+02 3.028964148e+02 1.12 2.770459141e+02 2.770459141e+02 1.14 2.536002277e+02 2.536002277e+02 1.16 2.323218184e+02 2.323218184e+02 1.18 2.129918419e+02 2.129918419e+02 1.20 1.954192444e+02 1.954192444e+02 1.22 1.794294778e+02 1.794294778e+02 1.24 1.648669633e+02 1.648669633e+02 1.26 1.515891902e+02 1.515891902e+02 1.28 1.394689897e+02 1.394689897e+02 1.30 1.283963458e+02 1.283963458e+02 1.32 1.182692916e+02 1.182692916e+02 1.34 1.089957174e+02 1.089957174e+02 1.36 1.004952614e+02 1.004952614e+02 1.38 9.269555821e+01 9.269555821e+01 1.40 8.552889345e+01 8.552889345e+01 1.42 7.893733201e+01 7.893733201e+01 1.44 7.286960729e+01 7.286960729e+01 1.46 6.727842950e+01 6.727842950e+01 1.48 6.212023738e+01 6.212023738e+01 1.50 5.735745800e+01 5.735745800e+01 1.52 5.295650716e+01 5.295650716e+01 1.54 4.888626726e+01 4.888626726e+01 1.56 4.511902424e+01 4.511902424e+01 1.58 4.162966429e+01 4.162966429e+01 1.60 3.839552601e+01 3.839552601e+01 1.62 3.539509408e+01 3.539509408e+01 1.64 3.261018231e+01 3.261018231e+01 1.66 3.002470542e+01 3.002470542e+01 1.68 2.762364495e+01 2.762364495e+01 1.70 2.539277155e+01 2.539277155e+01 1.72 2.331795395e+01 2.331795395e+01 1.74 2.138974892e+01 2.138974892e+01 1.76 1.959754217e+01 1.959754217e+01 1.78 1.793161785e+01 1.793161785e+01 1.80 1.638306182e+01 1.638306182e+01 1.82 1.492767387e+01 1.492767387e+01 1.84 1.359042844e+01 1.359042844e+01 1.86 1.234583240e+01 1.234583240e+01 1.88 1.114990871e+01 1.114990871e+01 1.90 1.005229476e+01 1.005229476e+01 1.92 9.008293948e+00 9.008293948e+00 1.94 8.017365181e+00 8.017365181e+00 1.96 7.078834593e+00 7.078834593e+00 1.98 6.191570810e+00 6.191570810e+00 2.00 5.354515097e+00 5.354515097e+00 2.02 4.566394134e+00 4.566394134e+00 2.04 3.825816583e+00 3.825816583e+00 2.06 3.131305121e+00 3.131305121e+00 2.08 2.481290660e+00 2.481290660e+00 2.10 1.873896144e+00 1.873896144e+00 2.12 1.307853639e+00 1.307853639e+00 2.14 7.815019512e-01 7.815019512e-01 2.16 2.939899049e-01 2.939899049e-01 2.18 -1.570259676e-01 -1.570259676e-01 2.20 -5.734926882e-01 -5.734926882e-01 2.22 -9.572025129e-01 -9.572025129e-01 2.24 -1.309583300e+00 -1.309583300e+00 2.26 -1.632125266e+00 -1.632125266e+00 2.28 -1.926363729e+00 -1.926363729e+00 2.30 -2.193798958e+00 -2.193798958e+00 2.32 -2.435893344e+00 -2.435893344e+00 2.34 -2.654008964e+00 -2.654008964e+00 2.36 -2.849559309e+00 -2.849559309e+00 2.38 -3.023919976e+00 -3.023919976e+00 2.40 -3.178127192e+00 -3.178127192e+00 2.42 -3.313706207e+00 -3.313706207e+00 2.44 -3.431846168e+00 -3.431846168e+00 2.46 -3.533691193e+00 -3.533691193e+00 2.48 -3.620348834e+00 -3.620348834e+00 2.50 -3.692880414e+00 -3.692880414e+00 2.52 -3.752880429e+00 -3.752880429e+00 2.54 -3.801027392e+00 -3.801027392e+00 2.56 -3.837941033e+00 -3.837941033e+00 2.58 -3.864489767e+00 -3.864489767e+00 2.60 -3.881496772e+00 -3.881496772e+00 2.62 -3.889726503e+00 -3.889726503e+00 2.64 -3.889850795e+00 -3.889850795e+00 2.66 -3.882572937e+00 -3.882572937e+00 2.68 -3.868612129e+00 -3.868612129e+00 2.70 -3.848578410e+00 -3.848578410e+00 2.72 -3.823042283e+00 -3.823042283e+00 2.74 -3.792536547e+00 -3.792536547e+00 2.76 -3.757557927e+00 -3.757557927e+00 2.78 -3.718606171e+00 -3.718606171e+00 2.80 -3.675311423e+00 -3.675311423e+00 2.82 -3.628696418e+00 -3.628696418e+00 2.84 -3.579313235e+00 -3.579313235e+00 2.86 -3.527500105e+00 -3.527500105e+00 2.88 -3.473568130e+00 -3.473568130e+00 2.90 -3.417825550e+00 -3.417825550e+00 2.92 -3.360746144e+00 -3.360746144e+00 2.94 -3.302341245e+00 -3.302341245e+00 2.96 -3.243389366e+00 -3.243389366e+00 2.98 -3.183463677e+00 -3.183463677e+00 3.00 -3.122517193e+00 -3.122517193e+00 3.02 -3.060988216e+00 -3.060988216e+00 3.04 -2.999022107e+00 -2.999022107e+00 3.06 -2.936748314e+00 -2.936748314e+00 3.08 -2.874371470e+00 -2.874371470e+00 3.10 -2.812010362e+00 -2.812010362e+00 3.12 -2.749774404e+00 -2.749774404e+00 3.14 -2.687762857e+00 -2.687762857e+00 3.16 -2.626065548e+00 -2.626065548e+00 3.18 -2.564763593e+00 -2.564763593e+00 3.20 -2.503930076e+00 -2.503930076e+00 3.22 -2.443630637e+00 -2.443630637e+00 3.24 -2.383924057e+00 -2.383924057e+00 3.26 -2.324862967e+00 -2.324862967e+00 3.28 -2.266494159e+00 -2.266494159e+00 3.30 -2.208858705e+00 -2.208858705e+00 3.32 -2.151993130e+00 -2.151993130e+00 3.34 -2.095929648e+00 -2.095929648e+00 3.36 -2.040695418e+00 -2.040695418e+00 3.38 -1.986314722e+00 -1.986314722e+00 3.40 -1.932817175e+00 -1.932817175e+00 3.42 -1.880480023e+00 -1.880480023e+00 3.44 -1.829086084e+00 -1.829086084e+00 3.46 -1.778417132e+00 -1.778417132e+00 3.48 -1.728374064e+00 -1.728374064e+00 3.50 -1.679187244e+00 -1.679187244e+00 3.52 -1.630992646e+00 -1.630992646e+00 3.54 -1.583759019e+00 -1.583759019e+00 3.56 -1.537445731e+00 -1.537445731e+00 3.58 -1.492036313e+00 -1.492036313e+00 3.60 -1.447527589e+00 -1.447527589e+00 3.62 -1.403930821e+00 -1.403930821e+00 3.64 -1.361249510e+00 -1.361249510e+00 3.66 -1.319495390e+00 -1.319495390e+00 3.68 -1.278649875e+00 -1.278649875e+00 3.70 -1.238697477e+00 -1.238697477e+00 3.72 -1.199632998e+00 -1.199632998e+00 3.74 -1.161465019e+00 -1.161465019e+00 3.76 -1.124178207e+00 -1.124178207e+00 3.78 -1.087704239e+00 -1.087704239e+00 3.80 -1.051986858e+00 -1.051986858e+00 3.82 -1.017040627e+00 -1.017040627e+00 3.84 -9.829612313e-01 -9.829612313e-01 3.86 -9.498453231e-01 -9.498453231e-01 3.88 -9.177647730e-01 -9.177647730e-01 3.90 -8.868099397e-01 -8.868099397e-01 3.92 -8.569999235e-01 -8.569999235e-01 3.94 -8.281477240e-01 -8.281477240e-01 3.96 -8.000409106e-01 -8.000409106e-01 3.98 -7.725164316e-01 -7.725164316e-01 4.00 -7.454676461e-01 -7.454676461e-01 4.02 -7.188309233e-01 -7.188309233e-01 4.04 -6.925748389e-01 -6.925748389e-01 4.06 -6.667106038e-01 -6.667106038e-01 4.08 -6.413848811e-01 -6.413848811e-01 4.10 -6.164169850e-01 -6.164169850e-01 4.12 -5.915844815e-01 -5.915844815e-01 4.14 -5.667642526e-01 -5.667642526e-01 4.16 -5.420413168e-01 -5.420413168e-01 4.18 -5.181956700e-01 -5.181956700e-01 4.20 -4.945272613e-01 -4.945272613e-01 4.22 -4.711334274e-01 -4.711334274e-01 4.24 -4.480828618e-01 -4.480828618e-01 4.26 -4.254344891e-01 -4.254344891e-01 4.28 -4.032381948e-01 -4.032381948e-01 4.30 -3.815285836e-01 -3.815285836e-01 4.32 -3.602741766e-01 -3.602741766e-01 4.34 -3.395592990e-01 -3.395592990e-01 4.36 -3.194769344e-01 -3.194769344e-01 4.38 -3.000940536e-01 -3.000940536e-01 4.40 -2.814563802e-01 -2.814563802e-01 4.42 -2.635923900e-01 -2.635923900e-01 4.44 -2.465166451e-01 -2.465166451e-01 4.46 -2.302325818e-01 -2.302325818e-01 4.48 -2.147348334e-01 -2.147348334e-01 4.50 -2.000111524e-01 -2.000111524e-01 4.52 -1.860439976e-01 -1.860439976e-01 4.54 -1.728118441e-01 -1.728118441e-01 4.56 -1.602902644e-01 -1.602902644e-01 4.58 -1.484528000e-01 -1.484528000e-01 4.60 -1.372716728e-01 -1.372716728e-01 4.62 -1.267183610e-01 -1.267183610e-01 4.64 -1.167640590e-01 -1.167640590e-01 4.66 -1.073800390e-01 -1.073800390e-01 4.68 -9.853793491e-02 -9.853793491e-02 4.70 -9.020996499e-02 -9.020996499e-02 4.72 -8.236909419e-02 -8.236909419e-02 4.74 -7.498915642e-02 -7.498915642e-02 4.76 -6.804494109e-02 -6.804494109e-02 4.78 -6.151948756e-02 -6.151948756e-02 4.80 -5.538834852e-02 -5.538834852e-02 4.82 -5.159755358e-02 -5.159755358e-02 4.84 -4.814676521e-02 -4.814676521e-02 4.86 -4.489834238e-02 -4.489834238e-02 4.88 -4.184122704e-02 -4.184122704e-02 4.90 -3.896472785e-02 -3.896472785e-02 4.92 -3.625866030e-02 -3.625866030e-02 4.94 -3.371333970e-02 -3.371333970e-02 4.96 -3.131957029e-02 -3.131957029e-02 4.98 -2.906863170e-02 -2.906863170e-02 5.00 -2.695226362e-02 -2.695226362e-02 5.02 -2.496264918e-02 -2.496264918e-02 5.04 -2.309239736e-02 -2.309239736e-02 5.06 -2.133452459e-02 -2.133452459e-02 5.08 -1.968243637e-02 -1.968243637e-02 5.10 -1.812990890e-02 -1.812990890e-02 5.12 -1.667107110e-02 -1.667107110e-02 5.14 -1.530038674e-02 -1.530038674e-02 5.16 -1.401263697e-02 -1.401263697e-02 5.18 -1.280290359e-02 -1.280290359e-02 5.20 -1.166655291e-02 -1.166655291e-02 5.22 -1.059922036e-02 -1.059922036e-02 5.24 -9.596795428e-03 -9.596795428e-03 5.26 -8.655407528e-03 -8.655407528e-03 5.28 -7.771412450e-03 -7.771412450e-03 5.30 -6.941379615e-03 -6.941379615e-03 5.32 -6.162079891e-03 -6.162079891e-03 5.34 -5.430473948e-03 -5.430473948e-03 5.36 -4.743701339e-03 -4.743701339e-03 5.38 -4.099070169e-03 -4.099070169e-03 5.40 -3.494047412e-03 -3.494047412e-03 5.42 -2.926249619e-03 -2.926249619e-03 5.44 -2.393434183e-03 -2.393434183e-03 5.46 -1.893491138e-03 -1.893491138e-03 5.48 -1.424435446e-03 -1.424435446e-03 5.50 -9.843997410e-04 -9.843997410e-04 5.52 -5.716273811e-04 -5.716273811e-04 5.54 -1.819842033e-04 -1.819842033e-04 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 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