# 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 = 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 6.657355767e+02 6.657355767e+02 1.00 6.071620975e+02 6.071620975e+02 1.02 5.541522523e+02 5.541522523e+02 1.04 5.061534015e+02 5.061534015e+02 1.06 4.626688350e+02 4.626688350e+02 1.08 4.232575019e+02 4.232575019e+02 1.10 3.875222097e+02 3.875222097e+02 1.12 3.551033688e+02 3.551033688e+02 1.14 3.256782117e+02 3.256782117e+02 1.16 2.989517455e+02 2.989517455e+02 1.18 2.746626853e+02 2.746626853e+02 1.20 2.525734685e+02 2.525734685e+02 1.22 2.324715814e+02 2.324715814e+02 1.24 2.141632430e+02 2.141632430e+02 1.26 1.974726259e+02 1.974726259e+02 1.28 1.822429401e+02 1.822429401e+02 1.30 1.683326305e+02 1.683326305e+02 1.32 1.556139189e+02 1.556139189e+02 1.34 1.439725258e+02 1.439725258e+02 1.36 1.333032542e+02 1.333032542e+02 1.38 1.235128913e+02 1.235128913e+02 1.40 1.145192517e+02 1.145192517e+02 1.42 1.062468549e+02 1.062468549e+02 1.44 9.862684968e+01 9.862684968e+01 1.46 9.159906834e+01 9.159906834e+01 1.48 8.510897412e+01 8.510897412e+01 1.50 7.910744252e+01 7.910744252e+01 1.52 7.355040563e+01 7.355040563e+01 1.54 6.839773627e+01 6.839773627e+01 1.56 6.361459958e+01 6.361459958e+01 1.58 5.916901688e+01 5.916901688e+01 1.60 5.503224487e+01 5.503224487e+01 1.62 5.117826530e+01 5.117826530e+01 1.64 4.758310912e+01 4.758310912e+01 1.66 4.422676404e+01 4.422676404e+01 1.68 4.109047727e+01 4.109047727e+01 1.70 3.815691285e+01 3.815691285e+01 1.72 3.541057361e+01 3.541057361e+01 1.74 3.283754985e+01 3.283754985e+01 1.76 3.042456111e+01 3.042456111e+01 1.78 2.816021300e+01 2.816021300e+01 1.80 2.603468590e+01 2.603468590e+01 1.82 2.403841526e+01 2.403841526e+01 1.84 2.216526889e+01 2.216526889e+01 1.86 2.040566770e+01 2.040566770e+01 1.88 1.873770894e+01 1.873770894e+01 1.90 1.717102335e+01 1.717102335e+01 1.92 1.570592676e+01 1.570592676e+01 1.94 1.432032644e+01 1.432032644e+01 1.96 1.301146934e+01 1.301146934e+01 1.98 1.177582826e+01 1.177582826e+01 2.00 1.061011686e+01 1.061011686e+01 2.02 9.511258529e+00 9.511258529e+00 2.04 8.476435186e+00 8.476435186e+00 2.06 7.502969998e+00 7.502969998e+00 2.08 6.588300391e+00 6.588300391e+00 2.10 5.729958091e+00 5.729958091e+00 2.12 4.925554769e+00 4.925554769e+00 2.14 4.172775649e+00 4.172775649e+00 2.16 3.469115009e+00 3.469115009e+00 2.18 2.812522165e+00 2.812522165e+00 2.20 2.200958988e+00 2.200958988e+00 2.22 1.632077912e+00 1.632077912e+00 2.24 1.104056105e+00 1.104056105e+00 2.26 6.150197633e-01 6.150197633e-01 2.28 1.630531711e-01 1.630531711e-01 2.30 -2.529388531e-01 -2.529388531e-01 2.32 -6.356240074e-01 -6.356240074e-01 2.34 -9.867647204e-01 -9.867647204e-01 2.36 -1.307971801e+00 -1.307971801e+00 2.38 -1.600938185e+00 -1.600938185e+00 2.40 -1.867260832e+00 -1.867260832e+00 2.42 -2.108355392e+00 -2.108355392e+00 2.44 -2.325733882e+00 -2.325733882e+00 2.46 -2.520851151e+00 -2.520851151e+00 2.48 -2.695133213e+00 -2.695133213e+00 2.50 -2.850025769e+00 -2.850025769e+00 2.52 -2.986330376e+00 -2.986330376e+00 2.54 -3.105368530e+00 -3.105368530e+00 2.56 -3.208434039e+00 -3.208434039e+00 2.58 -3.296608660e+00 -3.296608660e+00 2.60 -3.371492723e+00 -3.371492723e+00 2.62 -3.433726339e+00 -3.433726339e+00 2.64 -3.484088764e+00 -3.484088764e+00 2.66 -3.523457636e+00 -3.523457636e+00 2.68 -3.552645113e+00 -3.552645113e+00 2.70 -3.572291311e+00 -3.572291311e+00 2.72 -3.583341936e+00 -3.583341936e+00 2.74 -3.586513742e+00 -3.586513742e+00 2.76 -3.582475013e+00 -3.582475013e+00 2.78 -3.571899589e+00 -3.571899589e+00 2.80 -3.555464970e+00 -3.555464970e+00 2.82 -3.533583240e+00 -3.533583240e+00 2.84 -3.506770307e+00 -3.506770307e+00 2.86 -3.475506273e+00 -3.475506273e+00 2.88 -3.439684714e+00 -3.439684714e+00 2.90 -3.400123973e+00 -3.400123973e+00 2.92 -3.357841007e+00 -3.357841007e+00 2.94 -3.312735180e+00 -3.312735180e+00 2.96 -3.265142622e+00 -3.265142622e+00 2.98 -3.215374828e+00 -3.215374828e+00 3.00 -3.163720120e+00 -3.163720120e+00 3.02 -3.110446129e+00 -3.110446129e+00 3.04 -3.055974139e+00 -3.055974139e+00 3.06 -3.000625879e+00 -3.000625879e+00 3.08 -2.943881280e+00 -2.943881280e+00 3.10 -2.886152459e+00 -2.886152459e+00 3.12 -2.827875509e+00 -2.827875509e+00 3.14 -2.769181986e+00 -2.769181986e+00 3.16 -2.710182643e+00 -2.710182643e+00 3.18 -2.651056656e+00 -2.651056656e+00 3.20 -2.591946728e+00 -2.591946728e+00 3.22 -2.532960035e+00 -2.532960035e+00 3.24 -2.474197365e+00 -2.474197365e+00 3.26 -2.415749644e+00 -2.415749644e+00 3.28 -2.357698963e+00 -2.357698963e+00 3.30 -2.300119231e+00 -2.300119231e+00 3.32 -2.243076747e+00 -2.243076747e+00 3.34 -2.186630883e+00 -2.186630883e+00 3.36 -2.130834515e+00 -2.130834515e+00 3.38 -2.075734424e+00 -2.075734424e+00 3.40 -2.021400193e+00 -2.021400193e+00 3.42 -1.968228462e+00 -1.968228462e+00 3.44 -1.915850766e+00 -1.915850766e+00 3.46 -1.864274614e+00 -1.864274614e+00 3.48 -1.813500579e+00 -1.813500579e+00 3.50 -1.763510670e+00 -1.763510670e+00 3.52 -1.714277471e+00 -1.714277471e+00 3.54 -1.665878084e+00 -1.665878084e+00 3.56 -1.618403132e+00 -1.618403132e+00 3.58 -1.571859176e+00 -1.571859176e+00 3.60 -1.526238191e+00 -1.526238191e+00 3.62 -1.481537965e+00 -1.481537965e+00 3.64 -1.437774057e+00 -1.437774057e+00 3.66 -1.394961315e+00 -1.394961315e+00 3.68 -1.353075995e+00 -1.353075995e+00 3.70 -1.312080224e+00 -1.312080224e+00 3.72 -1.271949674e+00 -1.271949674e+00 3.74 -1.232664738e+00 -1.232664738e+00 3.76 -1.194241437e+00 -1.194241437e+00 3.78 -1.156702366e+00 -1.156702366e+00 3.80 -1.120059957e+00 -1.120059957e+00 3.82 -1.084280630e+00 -1.084280630e+00 3.84 -1.049351677e+00 -1.049351677e+00 3.86 -1.015280037e+00 -1.015280037e+00 3.88 -9.820666942e-01 -9.820666942e-01 3.90 -9.496932469e-01 -9.496932469e-01 3.92 -9.180571259e-01 -9.180571259e-01 3.94 -8.871175869e-01 -8.871175869e-01 3.96 -8.569654227e-01 -8.569654227e-01 3.98 -8.276605533e-01 -8.276605533e-01 4.00 -7.991049801e-01 -7.991049801e-01 4.02 -7.713583556e-01 -7.713583556e-01 4.04 -7.445267949e-01 -7.445267949e-01 4.06 -7.187754246e-01 -7.187754246e-01 4.08 -6.941300046e-01 -6.941300046e-01 4.10 -6.704002810e-01 -6.704002810e-01 4.12 -6.474426391e-01 -6.474426391e-01 4.14 -6.252603280e-01 -6.252603280e-01 4.16 -6.036949499e-01 -6.036949499e-01 4.18 -5.824737643e-01 -5.824737643e-01 4.20 -5.614017997e-01 -5.614017997e-01 4.22 -5.403485303e-01 -5.403485303e-01 4.24 -5.192342346e-01 -5.192342346e-01 4.26 -4.980185095e-01 -4.980185095e-01 4.28 -4.766575462e-01 -4.766575462e-01 4.30 -4.556479832e-01 -4.556479832e-01 4.32 -4.348595081e-01 -4.348595081e-01 4.34 -4.141790935e-01 -4.141790935e-01 4.36 -3.937021596e-01 -3.937021596e-01 4.38 -3.734733333e-01 -3.734733333e-01 4.40 -3.535819078e-01 -3.535819078e-01 4.42 -3.341426928e-01 -3.341426928e-01 4.44 -3.152468692e-01 -3.152468692e-01 4.46 -2.969616091e-01 -2.969616091e-01 4.48 -2.793343321e-01 -2.793343321e-01 4.50 -2.623962866e-01 -2.623962866e-01 4.52 -2.461655667e-01 -2.461655667e-01 4.54 -2.306496446e-01 -2.306496446e-01 4.56 -2.158474924e-01 -2.158474924e-01 4.58 -2.017513532e-01 -2.017513532e-01 4.60 -1.883482132e-01 -1.883482132e-01 4.62 -1.756210255e-01 -1.756210255e-01 4.64 -1.635497204e-01 -1.635497204e-01 4.66 -1.521120399e-01 -1.521120399e-01 4.68 -1.412842168e-01 -1.412842168e-01 4.70 -1.310415291e-01 -1.310415291e-01 4.72 -1.213587484e-01 -1.213587484e-01 4.74 -1.122104995e-01 -1.122104995e-01 4.76 -1.035715478e-01 -1.035715478e-01 4.78 -9.541702076e-02 -9.541702076e-02 4.80 -8.771115454e-02 -8.771115454e-02 4.82 -8.077979602e-02 -8.077979602e-02 4.84 -7.437205519e-02 -7.437205519e-02 4.86 -6.832420302e-02 -6.832420302e-02 4.88 -6.261725517e-02 -6.261725517e-02 4.90 -5.723300054e-02 -5.723300054e-02 4.92 -5.215363227e-02 -5.215363227e-02 4.94 -4.731720011e-02 -4.731720011e-02 4.96 -4.340938504e-02 -4.340938504e-02 4.98 -4.036428092e-02 -4.036428092e-02 5.00 -3.745572202e-02 -3.745572202e-02 5.02 -3.471806702e-02 -3.471806702e-02 5.04 -3.214190206e-02 -3.214190206e-02 5.06 -2.971798306e-02 -2.971798306e-02 5.08 -2.743755958e-02 -2.743755958e-02 5.10 -2.529235444e-02 -2.529235444e-02 5.12 -2.327454314e-02 -2.327454314e-02 5.14 -2.137673303e-02 -2.137673303e-02 5.16 -1.959194265e-02 -1.959194265e-02 5.18 -1.791358154e-02 -1.791358154e-02 5.20 -1.633543064e-02 -1.633543064e-02 5.22 -1.485162333e-02 -1.485162333e-02 5.24 -1.345662676e-02 -1.345662676e-02 5.26 -1.214522410e-02 -1.214522410e-02 5.28 -1.091249751e-02 -1.091249751e-02 5.30 -9.753811907e-03 -9.753811907e-03 5.32 -8.664799471e-03 -8.664799471e-03 5.34 -7.641344663e-03 -7.641344663e-03 5.36 -6.679570154e-03 -6.679570154e-03 5.38 -5.775823468e-03 -5.775823468e-03 5.40 -4.926664385e-03 -4.926664385e-03 5.42 -4.128852838e-03 -4.128852838e-03 5.44 -3.379337481e-03 -3.379337481e-03 5.46 -2.675244933e-03 -2.675244933e-03 5.48 -2.013869640e-03 -2.013869640e-03 5.50 -1.392664300e-03 -1.392664300e-03 5.52 -8.092307013e-04 -8.092307013e-04 5.54 -2.577931744e-04 -2.577931744e-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 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