# 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 = AgAu2Cu # 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 6.763041334e+02 6.763041334e+02 1.00 6.168832929e+02 6.168832929e+02 1.02 5.630910305e+02 5.630910305e+02 1.04 5.143688188e+02 5.143688188e+02 1.06 4.702148860e+02 4.702148860e+02 1.08 4.301836795e+02 4.301836795e+02 1.10 3.938740008e+02 3.938740008e+02 1.12 3.609228391e+02 3.609228391e+02 1.14 3.310043844e+02 3.310043844e+02 1.16 3.038209280e+02 3.038209280e+02 1.18 2.791086077e+02 2.791086077e+02 1.20 2.566275420e+02 2.566275420e+02 1.22 2.361631716e+02 2.361631716e+02 1.24 2.175197526e+02 2.175197526e+02 1.26 2.005197468e+02 2.005197468e+02 1.28 1.850046971e+02 1.850046971e+02 1.30 1.708315207e+02 1.708315207e+02 1.32 1.578710013e+02 1.578710013e+02 1.34 1.460074785e+02 1.460074785e+02 1.36 1.351345194e+02 1.351345194e+02 1.38 1.251576991e+02 1.251576991e+02 1.40 1.159936038e+02 1.159936038e+02 1.42 1.075656648e+02 1.075656648e+02 1.44 9.980401637e+01 9.980401637e+01 1.46 9.264754350e+01 9.264754350e+01 1.48 8.604077407e+01 8.604077407e+01 1.50 7.993366273e+01 7.993366273e+01 1.52 7.428131338e+01 7.428131338e+01 1.54 6.904285068e+01 6.904285068e+01 1.56 6.418265004e+01 6.418265004e+01 1.58 5.966803717e+01 5.966803717e+01 1.60 5.546961462e+01 5.546961462e+01 1.62 5.156077524e+01 5.156077524e+01 1.64 4.791697771e+01 4.791697771e+01 1.66 4.451766171e+01 4.451766171e+01 1.68 4.134356633e+01 4.134356633e+01 1.70 3.837687692e+01 3.837687692e+01 1.72 3.560167053e+01 3.560167053e+01 1.74 3.300362814e+01 3.300362814e+01 1.76 3.056913014e+01 3.056913014e+01 1.78 2.828643304e+01 2.828643304e+01 1.80 2.614536613e+01 2.614536613e+01 1.82 2.413607439e+01 2.413607439e+01 1.84 2.225251496e+01 2.225251496e+01 1.86 2.048293433e+01 2.048293433e+01 1.88 1.880666943e+01 1.880666943e+01 1.90 1.723358931e+01 1.723358931e+01 1.92 1.576318385e+01 1.576318385e+01 1.94 1.437276901e+01 1.437276901e+01 1.96 1.305954301e+01 1.305954301e+01 1.98 1.181998063e+01 1.181998063e+01 2.00 1.065074382e+01 1.065074382e+01 2.02 9.548713444e+00 9.548713444e+00 2.04 8.511039486e+00 8.511039486e+00 2.06 7.535014297e+00 7.535014297e+00 2.08 6.618045984e+00 6.618045984e+00 2.10 5.757638687e+00 5.757638687e+00 2.12 4.951378389e+00 4.951378389e+00 2.14 4.196926380e+00 4.196926380e+00 2.16 3.491776986e+00 3.491776986e+00 2.18 2.833848296e+00 2.833848296e+00 2.20 2.221072140e+00 2.221072140e+00 2.22 1.651096163e+00 1.651096163e+00 2.24 1.122075048e+00 1.122075048e+00 2.26 6.321185133e-01 6.321185133e-01 2.28 1.792932673e-01 1.792932673e-01 2.30 -2.377437756e-01 -2.377437756e-01 2.32 -6.211906235e-01 -6.211906235e-01 2.34 -9.730436211e-01 -9.730436211e-01 2.36 -1.294903464e+00 -1.294903464e+00 2.38 -1.588508495e+00 -1.588508495e+00 2.40 -1.855437244e+00 -1.855437244e+00 2.42 -2.097116517e+00 -2.097116517e+00 2.44 -2.315056861e+00 -2.315056861e+00 2.46 -2.510710887e+00 -2.510710887e+00 2.48 -2.685504570e+00 -2.685504570e+00 2.50 -2.840881440e+00 -2.840881440e+00 2.52 -2.977773421e+00 -2.977773421e+00 2.54 -3.097264837e+00 -3.097264837e+00 2.56 -3.200762890e+00 -3.200762890e+00 2.58 -3.289351563e+00 -3.289351563e+00 2.60 -3.364596803e+00 -3.364596803e+00 2.62 -3.427164624e+00 -3.427164624e+00 2.64 -3.477844956e+00 -3.477844956e+00 2.66 -3.517505587e+00 -3.517505587e+00 2.68 -3.546983619e+00 -3.546983619e+00 2.70 -3.566905660e+00 -3.566905660e+00 2.72 -3.578222635e+00 -3.578222635e+00 2.74 -3.581645911e+00 -3.581645911e+00 2.76 -3.577844235e+00 -3.577844235e+00 2.78 -3.567490444e+00 -3.567490444e+00 2.80 -3.551259845e+00 -3.551259845e+00 2.82 -3.529569636e+00 -3.529569636e+00 2.84 -3.502936465e+00 -3.502936465e+00 2.86 -3.471845910e+00 -3.471845910e+00 2.88 -3.436481843e+00 -3.436481843e+00 2.90 -3.397047640e+00 -3.397047640e+00 2.92 -3.354898568e+00 -3.354898568e+00 2.94 -3.309917240e+00 -3.309917240e+00 2.96 -3.262440339e+00 -3.262440339e+00 2.98 -3.212779937e+00 -3.212779937e+00 3.00 -3.161224873e+00 -3.161224873e+00 3.02 -3.108043299e+00 -3.108043299e+00 3.04 -3.053653287e+00 -3.053653287e+00 3.06 -2.998326641e+00 -2.998326641e+00 3.08 -2.941700380e+00 -2.941700380e+00 3.10 -2.884022949e+00 -2.884022949e+00 3.12 -2.825818144e+00 -2.825818144e+00 3.14 -2.767180014e+00 -2.767180014e+00 3.16 -2.708226511e+00 -2.708226511e+00 3.18 -2.649161723e+00 -2.649161723e+00 3.20 -2.590106276e+00 -2.590106276e+00 3.22 -2.531171042e+00 -2.531171042e+00 3.24 -2.472456866e+00 -2.472456866e+00 3.26 -2.414054938e+00 -2.414054938e+00 3.28 -2.356047608e+00 -2.356047608e+00 3.30 -2.298508996e+00 -2.298508996e+00 3.32 -2.241505637e+00 -2.241505637e+00 3.34 -2.185097142e+00 -2.185097142e+00 3.36 -2.129336512e+00 -2.129336512e+00 3.38 -2.074270691e+00 -2.074270691e+00 3.40 -2.019969610e+00 -2.019969610e+00 3.42 -1.966823598e+00 -1.966823598e+00 3.44 -1.914468873e+00 -1.914468873e+00 3.46 -1.862925072e+00 -1.862925072e+00 3.48 -1.812188338e+00 -1.812188338e+00 3.50 -1.762252833e+00 -1.762252833e+00 3.52 -1.713080429e+00 -1.713080429e+00 3.54 -1.664712718e+00 -1.664712718e+00 3.56 -1.617252401e+00 -1.617252401e+00 3.58 -1.570727989e+00 -1.570727989e+00 3.60 -1.525130120e+00 -1.525130120e+00 3.62 -1.480451232e+00 -1.480451232e+00 3.64 -1.436705298e+00 -1.436705298e+00 3.66 -1.393909554e+00 -1.393909554e+00 3.68 -1.352050941e+00 -1.352050941e+00 3.70 -1.311085523e+00 -1.311085523e+00 3.72 -1.270984050e+00 -1.270984050e+00 3.74 -1.231722362e+00 -1.231722362e+00 3.76 -1.193313003e+00 -1.193313003e+00 3.78 -1.155782914e+00 -1.155782914e+00 3.80 -1.119152602e+00 -1.119152602e+00 3.82 -1.083399212e+00 -1.083399212e+00 3.84 -1.048496173e+00 -1.048496173e+00 3.86 -1.014447270e+00 -1.014447270e+00 3.88 -9.812556920e-01 -9.812556920e-01 3.90 -9.489018975e-01 -9.489018975e-01 3.92 -9.173166898e-01 -9.173166898e-01 3.94 -8.864104555e-01 -8.864104555e-01 3.96 -8.562727036e-01 -8.562727036e-01 3.98 -8.269761043e-01 -8.269761043e-01 4.00 -7.984570865e-01 -7.984570865e-01 4.02 -7.707152811e-01 -7.707152811e-01 4.04 -7.438631373e-01 -7.438631373e-01 4.06 -7.180409187e-01 -7.180409187e-01 4.08 -6.933444897e-01 -6.933444897e-01 4.10 -6.695890341e-01 -6.695890341e-01 4.12 -6.466226010e-01 -6.466226010e-01 4.14 -6.244075307e-01 -6.244075307e-01 4.16 -6.028686310e-01 -6.028686310e-01 4.18 -5.817270246e-01 -5.817270246e-01 4.20 -5.607729806e-01 -5.607729806e-01 4.22 -5.398641098e-01 -5.398641098e-01 4.24 -5.189112346e-01 -5.189112346e-01 4.26 -4.978664976e-01 -4.978664976e-01 4.28 -4.766877639e-01 -4.766877639e-01 4.30 -4.558465148e-01 -4.558465148e-01 4.32 -4.351989239e-01 -4.351989239e-01 4.34 -4.146409968e-01 -4.146409968e-01 4.36 -3.942743696e-01 -3.942743696e-01 4.38 -3.741475137e-01 -3.741475137e-01 4.40 -3.543329280e-01 -3.543329280e-01 4.42 -3.349441609e-01 -3.349441609e-01 4.44 -3.160777347e-01 -3.160777347e-01 4.46 -2.978052451e-01 -2.978052451e-01 4.48 -2.801777637e-01 -2.801777637e-01 4.50 -2.632295422e-01 -2.632295422e-01 4.52 -2.469811348e-01 -2.469811348e-01 4.54 -2.314420192e-01 -2.314420192e-01 4.56 -2.166127931e-01 -2.166127931e-01 4.58 -2.024870095e-01 -2.024870095e-01 4.60 -1.890527018e-01 -1.890527018e-01 4.62 -1.762936527e-01 -1.762936527e-01 4.64 -1.641904424e-01 -1.641904424e-01 4.66 -1.527213152e-01 -1.527213152e-01 4.68 -1.418628851e-01 -1.418628851e-01 4.70 -1.315907123e-01 -1.315907123e-01 4.72 -1.218797704e-01 -1.218797704e-01 4.74 -1.127048213e-01 -1.127048213e-01 4.76 -1.040407160e-01 -1.040407160e-01 4.78 -9.586262611e-02 -9.586262611e-02 4.80 -8.813475177e-02 -8.813475177e-02 4.82 -8.118436817e-02 -8.118436817e-02 4.84 -7.475951935e-02 -7.475951935e-02 4.86 -6.869583298e-02 -6.869583298e-02 4.88 -6.297428272e-02 -6.297428272e-02 4.90 -5.757660837e-02 -5.757660837e-02 4.92 -5.248495348e-02 -5.248495348e-02 4.94 -4.763783342e-02 -4.763783342e-02 4.96 -4.371274004e-02 -4.371274004e-02 4.98 -4.064415713e-02 -4.064415713e-02 5.00 -3.771409113e-02 -3.771409113e-02 5.02 -3.495630150e-02 -3.495630150e-02 5.04 -3.236129182e-02 -3.236129182e-02 5.06 -2.991974260e-02 -2.991974260e-02 5.08 -2.762283128e-02 -2.762283128e-02 5.10 -2.546221185e-02 -2.546221185e-02 5.12 -2.342999441e-02 -2.342999441e-02 5.14 -2.151872425e-02 -2.151872425e-02 5.16 -1.972136117e-02 -1.972136117e-02 5.18 -1.803125920e-02 -1.803125920e-02 5.20 -1.644214691e-02 -1.644214691e-02 5.22 -1.494810833e-02 -1.494810833e-02 5.24 -1.354356416e-02 -1.354356416e-02 5.26 -1.222325388e-02 -1.222325388e-02 5.28 -1.098221862e-02 -1.098221862e-02 5.30 -9.815784761e-03 -9.815784761e-03 5.32 -8.719548323e-03 -8.719548323e-03 5.34 -7.689359855e-03 -7.689359855e-03 5.36 -6.721310239e-03 -6.721310239e-03 5.38 -5.811717203e-03 -5.811717203e-03 5.40 -4.957112616e-03 -4.957112616e-03 5.42 -4.154230267e-03 -4.154230267e-03 5.44 -3.399994329e-03 -3.399994329e-03 5.46 -2.691508499e-03 -2.691508499e-03 5.48 -2.026045765e-03 -2.026045765e-03 5.50 -1.401038742e-03 -1.401038742e-03 5.52 -8.140704174e-04 -8.140704174e-04 5.54 -2.593266909e-04 -2.593266909e-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 0.000000000e+00 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