# 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 = AgAuCu2 # 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 4.107737327e+02 4.107737327e+02 1.00 3.751615662e+02 3.751615662e+02 1.02 3.429779734e+02 3.429779734e+02 1.04 3.138657733e+02 3.138657733e+02 1.06 2.875000059e+02 2.875000059e+02 1.08 2.636041144e+02 2.636041144e+02 1.10 2.419266154e+02 2.419266154e+02 1.12 2.222399853e+02 2.222399853e+02 1.14 2.043402380e+02 2.043402380e+02 1.16 1.880460720e+02 1.880460720e+02 1.18 1.731995895e+02 1.731995895e+02 1.20 1.596567021e+02 1.596567021e+02 1.22 1.472870129e+02 1.472870129e+02 1.24 1.359787123e+02 1.359787123e+02 1.26 1.256266847e+02 1.256266847e+02 1.28 1.161391863e+02 1.161391863e+02 1.30 1.074324901e+02 1.074324901e+02 1.32 9.943110809e+01 9.943110809e+01 1.34 9.207076136e+01 9.207076136e+01 1.36 8.529070272e+01 8.529070272e+01 1.38 7.903670615e+01 7.903670615e+01 1.40 7.326354088e+01 7.326354088e+01 1.42 6.792805559e+01 6.792805559e+01 1.44 6.298959655e+01 6.298959655e+01 1.46 5.841292358e+01 5.841292358e+01 1.48 5.416853731e+01 5.416853731e+01 1.50 5.022973429e+01 5.022973429e+01 1.52 4.657101928e+01 4.657101928e+01 1.54 4.316874015e+01 4.316874015e+01 1.56 4.000361040e+01 4.000361040e+01 1.58 3.705698898e+01 3.705698898e+01 1.60 3.431201672e+01 3.431201672e+01 1.62 3.175309644e+01 3.175309644e+01 1.64 2.936609317e+01 2.936609317e+01 1.66 2.713831476e+01 2.713831476e+01 1.68 2.505849934e+01 2.505849934e+01 1.70 2.311676207e+01 2.311676207e+01 1.72 2.130340435e+01 2.130340435e+01 1.74 1.960966421e+01 1.960966421e+01 1.76 1.801130631e+01 1.801130631e+01 1.78 1.653001957e+01 1.653001957e+01 1.80 1.514601753e+01 1.514601753e+01 1.82 1.385317001e+01 1.385317001e+01 1.84 1.264580835e+01 1.264580835e+01 1.86 1.151844583e+01 1.151844583e+01 1.88 1.043072336e+01 1.043072336e+01 1.90 9.425941612e+00 9.425941612e+00 1.92 8.473081379e+00 8.473081379e+00 1.94 7.568900974e+00 7.568900974e+00 1.96 6.713660780e+00 6.713660780e+00 1.98 5.905036130e+00 5.905036130e+00 2.00 5.141859405e+00 5.141859405e+00 2.02 4.422937239e+00 4.422937239e+00 2.04 3.746796733e+00 3.746796733e+00 2.06 3.111976617e+00 3.111976617e+00 2.08 2.517017947e+00 2.517017947e+00 2.10 1.960459665e+00 1.960459665e+00 2.12 1.440837571e+00 1.440837571e+00 2.14 9.566923457e-01 9.566923457e-01 2.16 5.061335931e-01 5.061335931e-01 2.18 8.801806715e-02 8.801806715e-02 2.20 -2.989440307e-01 -2.989440307e-01 2.22 -6.563455288e-01 -6.563455288e-01 2.24 -9.854841783e-01 -9.854841783e-01 2.26 -1.287702459e+00 -1.287702459e+00 2.28 -1.564228287e+00 -1.564228287e+00 2.30 -1.815168005e+00 -1.815168005e+00 2.32 -2.043402286e+00 -2.043402286e+00 2.34 -2.250163617e+00 -2.250163617e+00 2.36 -2.436589910e+00 -2.436589910e+00 2.38 -2.603877375e+00 -2.603877375e+00 2.40 -2.753194044e+00 -2.753194044e+00 2.42 -2.885685318e+00 -2.885685318e+00 2.44 -3.002364758e+00 -3.002364758e+00 2.46 -3.104236374e+00 -3.104236374e+00 2.48 -3.192367386e+00 -3.192367386e+00 2.50 -3.267899313e+00 -3.267899313e+00 2.52 -3.331082566e+00 -3.331082566e+00 2.54 -3.382695418e+00 -3.382695418e+00 2.56 -3.423961029e+00 -3.423961029e+00 2.58 -3.455607452e+00 -3.455607452e+00 2.60 -3.479592214e+00 -3.479592214e+00 2.62 -3.495677325e+00 -3.495677325e+00 2.64 -3.504089231e+00 -3.504089231e+00 2.66 -3.505529504e+00 -3.505529504e+00 2.68 -3.500570683e+00 -3.500570683e+00 2.70 -3.489750318e+00 -3.489750318e+00 2.72 -3.473573735e+00 -3.473573735e+00 2.74 -3.452515323e+00 -3.452515323e+00 2.76 -3.427019852e+00 -3.427019852e+00 2.78 -3.397529902e+00 -3.397529902e+00 2.80 -3.364482612e+00 -3.364482612e+00 2.82 -3.328161148e+00 -3.328161148e+00 2.84 -3.288905465e+00 -3.288905465e+00 2.86 -3.247029387e+00 -3.247029387e+00 2.88 -3.201769896e+00 -3.201769896e+00 2.90 -3.154026414e+00 -3.154026414e+00 2.92 -3.104782967e+00 -3.104782967e+00 2.94 -3.054038449e+00 -3.054038449e+00 2.96 -3.002008196e+00 -3.002008196e+00 2.98 -2.948890825e+00 -2.948890825e+00 3.00 -2.894875018e+00 -2.894875018e+00 3.02 -2.840047296e+00 -2.840047296e+00 3.04 -2.784770793e+00 -2.784770793e+00 3.06 -2.729548370e+00 -2.729548370e+00 3.08 -2.673961598e+00 -2.673961598e+00 3.10 -2.618121402e+00 -2.618121402e+00 3.12 -2.562208128e+00 -2.562208128e+00 3.14 -2.506323224e+00 -2.506323224e+00 3.16 -2.450560893e+00 -2.450560893e+00 3.18 -2.395007313e+00 -2.395007313e+00 3.20 -2.339740864e+00 -2.339740864e+00 3.22 -2.284832765e+00 -2.284832765e+00 3.24 -2.230347596e+00 -2.230347596e+00 3.26 -2.176343677e+00 -2.176343677e+00 3.28 -2.122873501e+00 -2.122873501e+00 3.30 -2.069984279e+00 -2.069984279e+00 3.32 -2.017718268e+00 -2.017718268e+00 3.34 -1.966112872e+00 -1.966112872e+00 3.36 -1.915201562e+00 -1.915201562e+00 3.38 -1.865012878e+00 -1.865012878e+00 3.40 -1.815587218e+00 -1.815587218e+00 3.42 -1.767182249e+00 -1.767182249e+00 3.44 -1.719530037e+00 -1.719530037e+00 3.46 -1.672594693e+00 -1.672594693e+00 3.48 -1.626297517e+00 -1.626297517e+00 3.50 -1.580568472e+00 -1.580568472e+00 3.52 -1.535580216e+00 -1.535580216e+00 3.54 -1.491487921e+00 -1.491487921e+00 3.56 -1.448274620e+00 -1.448274620e+00 3.58 -1.405915033e+00 -1.405915033e+00 3.60 -1.364415513e+00 -1.364415513e+00 3.62 -1.323782496e+00 -1.323782496e+00 3.64 -1.284019020e+00 -1.284019020e+00 3.66 -1.245106641e+00 -1.245106641e+00 3.68 -1.207024404e+00 -1.207024404e+00 3.70 -1.169758101e+00 -1.169758101e+00 3.72 -1.133300759e+00 -1.133300759e+00 3.74 -1.097655874e+00 -1.097655874e+00 3.76 -1.062824681e+00 -1.062824681e+00 3.78 -1.028803099e+00 -1.028803099e+00 3.80 -9.955804786e-01 -9.955804786e-01 3.82 -9.631398453e-01 -9.631398453e-01 3.84 -9.314706824e-01 -9.314706824e-01 3.86 -9.005618310e-01 -9.005618310e-01 3.88 -8.704191882e-01 -8.704191882e-01 3.90 -8.410259356e-01 -8.410259356e-01 3.92 -8.123019066e-01 -8.123019066e-01 3.94 -7.841756443e-01 -7.841756443e-01 3.96 -7.566626508e-01 -7.566626508e-01 3.98 -7.298734571e-01 -7.298734571e-01 4.00 -7.039087421e-01 -7.039087421e-01 4.02 -6.788413623e-01 -6.788413623e-01 4.04 -6.547273931e-01 -6.547273931e-01 4.06 -6.316663382e-01 -6.316663382e-01 4.08 -6.097029510e-01 -6.097029510e-01 4.10 -5.886781283e-01 -5.886781283e-01 4.12 -5.682605131e-01 -5.682605131e-01 4.14 -5.481814402e-01 -5.481814402e-01 4.16 -5.282490264e-01 -5.282490264e-01 4.18 -5.083327954e-01 -5.083327954e-01 4.20 -4.883508899e-01 -4.883508899e-01 4.22 -4.682594604e-01 -4.682594604e-01 4.24 -4.480439141e-01 -4.480439141e-01 4.26 -4.277114005e-01 -4.277114005e-01 4.28 -4.072374437e-01 -4.072374437e-01 4.30 -3.874639994e-01 -3.874639994e-01 4.32 -3.679980887e-01 -3.679980887e-01 4.34 -3.486450597e-01 -3.486450597e-01 4.36 -3.295691468e-01 -3.295691468e-01 4.38 -3.108920020e-01 -3.108920020e-01 4.40 -2.927066748e-01 -2.927066748e-01 4.42 -2.750825208e-01 -2.750825208e-01 4.44 -2.580693410e-01 -2.580693410e-01 4.46 -2.417008753e-01 -2.417008753e-01 4.48 -2.259977580e-01 -2.259977580e-01 4.50 -2.109699893e-01 -2.109699893e-01 4.52 -1.966190188e-01 -1.966190188e-01 4.54 -1.829394872e-01 -1.829394872e-01 4.56 -1.699206826e-01 -1.699206826e-01 4.58 -1.575477523e-01 -1.575477523e-01 4.60 -1.458027027e-01 -1.458027027e-01 4.62 -1.346652287e-01 -1.346652287e-01 4.64 -1.241133939e-01 -1.241133939e-01 4.66 -1.141241914e-01 -1.141241914e-01 4.68 -1.046739929e-01 -1.046739929e-01 4.70 -9.573891253e-02 -9.573891253e-02 4.72 -8.729509879e-02 -8.729509879e-02 4.74 -7.931896419e-02 -7.931896419e-02 4.76 -7.178736777e-02 -7.178736777e-02 4.78 -6.467774822e-02 -6.467774822e-02 4.80 -5.796022638e-02 -5.796022638e-02 4.82 -5.185780673e-02 -5.185780673e-02 4.84 -4.618896757e-02 -4.618896757e-02 4.86 -4.083518970e-02 -4.083518970e-02 4.88 -3.577963622e-02 -3.577963622e-02 4.90 -3.100622538e-02 -3.100622538e-02 4.92 -2.649884051e-02 -2.649884051e-02 4.94 -2.214983630e-02 -2.214983630e-02 4.96 -1.938445228e-02 -1.938445228e-02 4.98 -1.808259635e-02 -1.808259635e-02 5.00 -1.677120581e-02 -1.677120581e-02 5.02 -1.553714968e-02 -1.553714968e-02 5.04 -1.437662843e-02 -1.437662843e-02 5.06 -1.328538241e-02 -1.328538241e-02 5.08 -1.225938678e-02 -1.225938678e-02 5.10 -1.129484035e-02 -1.129484035e-02 5.12 -1.038815469e-02 -1.038815469e-02 5.14 -9.535943461e-03 -9.535943461e-03 5.16 -8.735011891e-03 -8.735011891e-03 5.18 -7.982346822e-03 -7.982346822e-03 5.20 -7.275107069e-03 -7.275107069e-03 5.22 -6.610614238e-03 -6.610614238e-03 5.24 -5.986343783e-03 -5.986343783e-03 5.26 -5.399916549e-03 -5.399916549e-03 5.28 -4.849090732e-03 -4.849090732e-03 5.30 -4.331754268e-03 -4.331754268e-03 5.32 -3.845917571e-03 -3.845917571e-03 5.34 -3.389706579e-03 -3.389706579e-03 5.36 -2.961356222e-03 -2.961356222e-03 5.38 -2.559204255e-03 -2.559204255e-03 5.40 -2.181685443e-03 -2.181685443e-03 5.42 -1.827325996e-03 -1.827325996e-03 5.44 -1.494738316e-03 -1.494738316e-03 5.46 -1.182616067e-03 -1.182616067e-03 5.48 -8.897295272e-04 -8.897295272e-04 5.50 -6.149212080e-04 -6.149212080e-04 5.52 -3.571016620e-04 -3.571016620e-04 5.54 -1.136951157e-04 -1.136951157e-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