# 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 = Au2CuPt # 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 8.550811471e+02 8.550811471e+02 1.00 7.813225047e+02 7.813225047e+02 1.02 7.145753976e+02 7.145753976e+02 1.04 6.541180757e+02 6.541180757e+02 1.06 5.993095754e+02 5.993095754e+02 1.08 5.495750051e+02 5.495750051e+02 1.10 5.044035339e+02 5.044035339e+02 1.12 4.633381254e+02 4.633381254e+02 1.14 4.259712089e+02 4.259712089e+02 1.16 3.919345420e+02 3.919345420e+02 1.18 3.609029138e+02 3.609029138e+02 1.20 3.325842856e+02 3.325842856e+02 1.22 3.067166597e+02 3.067166597e+02 1.24 2.830621676e+02 2.830621676e+02 1.26 2.614084280e+02 2.614084280e+02 1.28 2.415658754e+02 2.415658754e+02 1.30 2.233648145e+02 2.233648145e+02 1.32 2.066520363e+02 2.066520363e+02 1.34 1.912891472e+02 1.912891472e+02 1.36 1.771513503e+02 1.771513503e+02 1.38 1.641267754e+02 1.641267754e+02 1.40 1.521160821e+02 1.521160821e+02 1.42 1.410294708e+02 1.410294708e+02 1.44 1.307855169e+02 1.307855169e+02 1.46 1.213110753e+02 1.213110753e+02 1.48 1.125391389e+02 1.125391389e+02 1.50 1.044095849e+02 1.044095849e+02 1.52 9.686834509e+01 9.686834509e+01 1.54 8.986590045e+01 8.986590045e+01 1.56 8.335878049e+01 8.335878049e+01 1.58 7.730716843e+01 7.730716843e+01 1.60 7.167444199e+01 7.167444199e+01 1.62 6.642763167e+01 6.642763167e+01 1.64 6.153634521e+01 6.153634521e+01 1.66 5.697379666e+01 5.697379666e+01 1.68 5.271512026e+01 5.271512026e+01 1.70 4.873736992e+01 4.873736992e+01 1.72 4.501984718e+01 4.501984718e+01 1.74 4.154358259e+01 4.154358259e+01 1.76 3.829065559e+01 3.829065559e+01 1.78 3.524540993e+01 3.524540993e+01 1.80 3.239370286e+01 3.239370286e+01 1.82 2.972203011e+01 2.972203011e+01 1.84 2.721804366e+01 2.721804366e+01 1.86 2.487375016e+01 2.487375016e+01 1.88 2.267860366e+01 2.267860366e+01 1.90 2.061123641e+01 2.061123641e+01 1.92 1.868568913e+01 1.868568913e+01 1.94 1.687985987e+01 1.687985987e+01 1.96 1.518730535e+01 1.518730535e+01 1.98 1.360240119e+01 1.360240119e+01 2.00 1.211950265e+01 1.211950265e+01 2.02 1.073336468e+01 1.073336468e+01 2.04 9.439094828e+00 9.439094828e+00 2.06 8.231890603e+00 8.231890603e+00 2.08 7.107225325e+00 7.107225325e+00 2.10 6.061019212e+00 6.061019212e+00 2.12 5.089170601e+00 5.089170601e+00 2.14 4.187615753e+00 4.187615753e+00 2.16 3.352321600e+00 3.352321600e+00 2.18 2.579739641e+00 2.579739641e+00 2.20 1.866405242e+00 1.866405242e+00 2.22 1.208798955e+00 1.208798955e+00 2.24 6.038052246e-01 6.038052246e-01 2.26 4.839455393e-02 4.839455393e-02 2.28 -4.601619111e-01 -4.601619111e-01 2.30 -9.241984896e-01 -9.241984896e-01 2.32 -1.347219821e+00 -1.347219821e+00 2.34 -1.731730728e+00 -1.731730728e+00 2.36 -2.080157406e+00 -2.080157406e+00 2.38 -2.394808946e+00 -2.394808946e+00 2.40 -2.677681122e+00 -2.677681122e+00 2.42 -2.931052365e+00 -2.931052365e+00 2.44 -3.156888997e+00 -3.156888997e+00 2.46 -3.357056778e+00 -3.357056778e+00 2.48 -3.533395086e+00 -3.533395086e+00 2.50 -3.687746496e+00 -3.687746496e+00 2.52 -3.821300131e+00 -3.821300131e+00 2.54 -3.935572027e+00 -3.935572027e+00 2.56 -4.032107211e+00 -4.032107211e+00 2.58 -4.112053846e+00 -4.112053846e+00 2.60 -4.177412131e+00 -4.177412131e+00 2.62 -4.228998029e+00 -4.228998029e+00 2.64 -4.267750085e+00 -4.267750085e+00 2.66 -4.294739775e+00 -4.294739775e+00 2.68 -4.310740155e+00 -4.310740155e+00 2.70 -4.316787308e+00 -4.316787308e+00 2.72 -4.313741631e+00 -4.313741631e+00 2.74 -4.302398169e+00 -4.302398169e+00 2.76 -4.283497754e+00 -4.283497754e+00 2.78 -4.258015676e+00 -4.258015676e+00 2.80 -4.226588969e+00 -4.226588969e+00 2.82 -4.189555980e+00 -4.189555980e+00 2.84 -4.147475667e+00 -4.147475667e+00 2.86 -4.100868146e+00 -4.100868146e+00 2.88 -4.050205759e+00 -4.050205759e+00 2.90 -3.995365299e+00 -3.995365299e+00 2.92 -3.937726602e+00 -3.937726602e+00 2.94 -3.877296868e+00 -3.877296868e+00 2.96 -3.814462380e+00 -3.814462380e+00 2.98 -3.748906493e+00 -3.748906493e+00 3.00 -3.681495492e+00 -3.681495492e+00 3.02 -3.612628269e+00 -3.612628269e+00 3.04 -3.542733441e+00 -3.542733441e+00 3.06 -3.472104011e+00 -3.472104011e+00 3.08 -3.400480900e+00 -3.400480900e+00 3.10 -3.327949904e+00 -3.327949904e+00 3.12 -3.255121437e+00 -3.255121437e+00 3.14 -3.182126227e+00 -3.182126227e+00 3.16 -3.109124316e+00 -3.109124316e+00 3.18 -3.036257609e+00 -3.036257609e+00 3.20 -2.963655161e+00 -2.963655161e+00 3.22 -2.891434077e+00 -2.891434077e+00 3.24 -2.819694160e+00 -2.819694160e+00 3.26 -2.748853379e+00 -2.748853379e+00 3.28 -2.678770566e+00 -2.678770566e+00 3.30 -2.609411532e+00 -2.609411532e+00 3.32 -2.540846098e+00 -2.540846098e+00 3.34 -2.473136902e+00 -2.473136902e+00 3.36 -2.406339677e+00 -2.406339677e+00 3.38 -2.340503214e+00 -2.340503214e+00 3.40 -2.275693861e+00 -2.275693861e+00 3.42 -2.212247426e+00 -2.212247426e+00 3.44 -2.149854088e+00 -2.149854088e+00 3.46 -2.088553038e+00 -2.088553038e+00 3.48 -2.028353868e+00 -2.028353868e+00 3.50 -1.969249327e+00 -1.969249327e+00 3.52 -1.911222995e+00 -1.911222995e+00 3.54 -1.854233491e+00 -1.854233491e+00 3.56 -1.798336448e+00 -1.798336448e+00 3.58 -1.743622878e+00 -1.743622878e+00 3.60 -1.690096450e+00 -1.690096450e+00 3.62 -1.637739225e+00 -1.637739225e+00 3.64 -1.586522416e+00 -1.586522416e+00 3.66 -1.536404337e+00 -1.536404337e+00 3.68 -1.487383294e+00 -1.487383294e+00 3.70 -1.439507701e+00 -1.439507701e+00 3.72 -1.392795128e+00 -1.392795128e+00 3.74 -1.347217321e+00 -1.347217321e+00 3.76 -1.302727682e+00 -1.302727682e+00 3.78 -1.259296376e+00 -1.259296376e+00 3.80 -1.216928656e+00 -1.216928656e+00 3.82 -1.175634009e+00 -1.175634009e+00 3.84 -1.135418757e+00 -1.135418757e+00 3.86 -1.096269627e+00 -1.096269627e+00 3.88 -1.058157230e+00 -1.058157230e+00 3.90 -1.021065956e+00 -1.021065956e+00 3.92 -9.849830810e-01 -9.849830810e-01 3.94 -9.499075566e-01 -9.499075566e-01 3.96 -9.158059042e-01 -9.158059042e-01 3.98 -8.825475564e-01 -8.825475564e-01 4.00 -8.501442446e-01 -8.501442446e-01 4.02 -8.186087465e-01 -8.186087465e-01 4.04 -7.880182678e-01 -7.880182678e-01 4.06 -7.584417836e-01 -7.584417836e-01 4.08 -7.299267141e-01 -7.299267141e-01 4.10 -7.025113741e-01 -7.025113741e-01 4.12 -6.763302388e-01 -6.763302388e-01 4.14 -6.512758769e-01 -6.512758769e-01 4.16 -6.271780003e-01 -6.271780003e-01 4.18 -6.037946538e-01 -6.037946538e-01 4.20 -5.809031021e-01 -5.809031021e-01 4.22 -5.583438796e-01 -5.583438796e-01 4.24 -5.360080864e-01 -5.360080864e-01 4.26 -5.138265637e-01 -5.138265637e-01 4.28 -4.917346912e-01 -4.917346912e-01 4.30 -4.703133270e-01 -4.703133270e-01 4.32 -4.492594501e-01 -4.492594501e-01 4.34 -4.283127399e-01 -4.283127399e-01 4.36 -4.074636417e-01 -4.074636417e-01 4.38 -3.868018668e-01 -3.868018668e-01 4.40 -3.664194211e-01 -3.664194211e-01 4.42 -3.464333736e-01 -3.464333736e-01 4.44 -3.269487632e-01 -3.269487632e-01 4.46 -3.080444964e-01 -3.080444964e-01 4.48 -2.897778777e-01 -2.897778777e-01 4.50 -2.721884345e-01 -2.721884345e-01 4.52 -2.553011499e-01 -2.553011499e-01 4.54 -2.391291853e-01 -2.391291853e-01 4.56 -2.236761076e-01 -2.236761076e-01 4.58 -2.089326589e-01 -2.089326589e-01 4.60 -1.950394000e-01 -1.950394000e-01 4.62 -1.819669612e-01 -1.819669612e-01 4.64 -1.695449433e-01 -1.695449433e-01 4.66 -1.577580087e-01 -1.577580087e-01 4.68 -1.465838723e-01 -1.465838723e-01 4.70 -1.359990592e-01 -1.359990592e-01 4.72 -1.259793944e-01 -1.259793944e-01 4.74 -1.165003813e-01 -1.165003813e-01 4.76 -1.075375073e-01 -1.075375073e-01 4.78 -9.906648217e-02 -9.906648217e-02 4.80 -9.105367498e-02 -9.105367498e-02 4.82 -8.377402933e-02 -8.377402933e-02 4.84 -7.701034530e-02 -7.701034530e-02 4.86 -7.061978888e-02 -7.061978888e-02 4.88 -6.458310890e-02 -6.458310890e-02 4.90 -5.888180152e-02 -5.888180152e-02 4.92 -5.349774844e-02 -5.349774844e-02 4.94 -4.836898836e-02 -4.836898836e-02 4.96 -4.417559267e-02 -4.417559267e-02 4.98 -4.085052859e-02 -4.085052859e-02 5.00 -3.767245327e-02 -3.767245327e-02 5.02 -3.467511143e-02 -3.467511143e-02 5.04 -3.184881636e-02 -3.184881636e-02 5.06 -2.918405635e-02 -2.918405635e-02 5.08 -2.667181525e-02 -2.667181525e-02 5.10 -2.430355173e-02 -2.430355173e-02 5.12 -2.207117862e-02 -2.207117862e-02 5.14 -1.996704223e-02 -1.996704223e-02 5.16 -1.798390191e-02 -1.798390191e-02 5.18 -1.611491014e-02 -1.611491014e-02 5.20 -1.435359335e-02 -1.435359335e-02 5.22 -1.269383334e-02 -1.269383334e-02 5.24 -1.112984894e-02 -1.112984894e-02 5.26 -9.656165536e-03 -9.656165536e-03 5.28 -8.268487030e-03 -8.268487030e-03 5.30 -6.980682483e-03 -6.980682483e-03 5.32 -6.186087763e-03 -6.186087763e-03 5.34 -5.452625058e-03 -5.452625058e-03 5.36 -4.766409228e-03 -4.766409228e-03 5.38 -4.121511914e-03 -4.121511914e-03 5.40 -3.515511742e-03 -3.515511742e-03 5.42 -2.946125278e-03 -2.946125278e-03 5.44 -2.411199405e-03 -2.411199405e-03 5.46 -1.908704126e-03 -1.908704126e-03 5.48 -1.436725764e-03 -1.436725764e-03 5.50 -9.934605245e-04 -9.934605245e-04 5.52 -5.772083089e-04 -5.772083089e-04 5.54 -1.838583587e-04 -1.838583587e-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