# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au # implementation = 2004--Zhou-X-W--Cu-Ag-Au--LAMMPS--ipr2 # composition = AuCu3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 3.075249122e+02 nan nan 1.02 2.808919585e+02 nan nan 1.04 2.566354517e+02 nan nan 1.06 2.345293163e+02 nan nan 1.08 2.143727007e+02 nan nan 1.10 1.959832032e+02 2.951555777e+02 nan 1.12 1.791942059e+02 2.715819136e+02 3.095249414e+02 1.14 1.638541640e+02 2.499501555e+02 2.854261408e+02 1.16 1.498275630e+02 2.300910141e+02 2.632714635e+02 1.18 1.369952824e+02 2.118493504e+02 2.428874128e+02 1.20 1.252513676e+02 1.950818014e+02 2.241203693e+02 1.22 1.144987005e+02 1.796561296e+02 2.068341834e+02 1.24 1.046477653e+02 1.654528197e+02 1.909059066e+02 1.26 9.561728711e+01 1.523668271e+02 1.762229998e+02 1.28 8.733371273e+01 1.403063597e+02 1.626817581e+02 1.30 7.972988930e+01 1.291888860e+02 1.501861324e+02 1.32 7.274489519e+01 1.189379440e+02 1.386475600e+02 1.34 6.632473918e+01 1.094824961e+02 1.279856125e+02 1.36 6.042225738e+01 1.007573268e+02 1.181276855e+02 1.38 5.499587437e+01 9.270301509e+01 1.090076667e+02 1.40 5.000811596e+01 8.526544707e+01 1.005648698e+02 1.42 4.542448203e+01 7.839516569e+01 9.274400296e+01 1.44 4.121261533e+01 7.204660983e+01 8.549577102e+01 1.46 3.734185130e+01 6.617747127e+01 7.877685625e+01 1.48 3.378335237e+01 6.074849995e+01 7.254865825e+01 1.50 3.051056210e+01 5.572379155e+01 6.677565150e+01 1.52 2.749948625e+01 5.107100935e+01 6.142445286e+01 1.54 2.472848141e+01 4.676109079e+01 5.646375501e+01 1.56 2.217773135e+01 4.276751737e+01 5.186451389e+01 1.58 1.982874532e+01 3.906570782e+01 4.760000070e+01 1.60 1.766422827e+01 3.563299651e+01 4.364565593e+01 1.62 1.566827716e+01 3.244899295e+01 3.997881342e+01 1.64 1.382919531e+01 2.949573202e+01 3.657830763e+01 1.66 1.214178005e+01 2.675736594e+01 3.342410373e+01 1.68 1.059484621e+01 2.421960134e+01 3.049714666e+01 1.70 9.178059410e+00 2.186918739e+01 2.777952874e+01 1.72 7.882150647e+00 1.969357323e+01 2.525486822e+01 1.74 6.698661501e+00 1.768072443e+01 2.290854887e+01 1.76 5.619757834e+00 1.581906185e+01 2.072764909e+01 1.78 4.638097726e+00 1.409831070e+01 1.870061663e+01 1.80 3.746682884e+00 1.251451487e+01 1.681691035e+01 1.82 2.938734704e+00 1.105826564e+01 1.506675619e+01 1.84 2.207609435e+00 9.719311766e+00 1.344278536e+01 1.86 1.546806358e+00 8.488250326e+00 1.194202156e+01 1.88 9.500555546e-01 7.356504369e+00 1.055657212e+01 1.90 4.114500160e-01 6.316192502e+00 9.278781926e+00 1.92 -7.443827117e-02 5.360026400e+00 8.101574309e+00 1.94 -5.125075830e-01 4.481282869e+00 7.018304063e+00 1.96 -9.071594258e-01 3.673819432e+00 6.022561930e+00 1.98 -1.262359365e+00 2.932118439e+00 5.108061793e+00 2.00 -1.581697428e+00 2.251296181e+00 4.268641103e+00 2.02 -1.868397847e+00 1.627050083e+00 3.498357203e+00 2.04 -2.125307586e+00 1.055557439e+00 2.791638999e+00 2.06 -2.354900830e+00 5.333533461e-01 2.143407064e+00 2.08 -2.559322015e+00 5.722149424e-02 1.549114075e+00 2.10 -2.740460009e+00 -3.758819156e-01 1.004703238e+00 2.12 -2.900031037e+00 -7.688672857e-01 5.065225952e-01 2.14 -3.039648505e+00 -1.124523741e+00 5.122464183e-02 2.16 -3.160872021e+00 -1.445518288e+00 -3.643245509e-01 2.18 -3.265223787e+00 -1.734401640e+00 -7.431231041e-01 2.20 -3.354182066e+00 -1.993604774e+00 -1.088063450e+00 2.22 -3.429152356e+00 -2.225453825e+00 -1.401936645e+00 2.24 -3.491432681e+00 -2.432177703e+00 -1.687383960e+00 2.26 -3.542189756e+00 -2.615917886e+00 -1.946824122e+00 2.28 -3.582479774e+00 -2.778738510e+00 -2.182386771e+00 2.30 -3.613313792e+00 -2.922631785e+00 -2.395883260e+00 2.32 -3.635507026e+00 -3.049509760e+00 -2.588826749e+00 2.34 -3.650630191e+00 -3.161170255e+00 -2.762489499e+00 2.36 -3.659016200e+00 -3.259246811e+00 -2.917974448e+00 2.38 -3.660581874e+00 -3.345158496e+00 -3.056279903e+00 2.40 -3.655497242e+00 -3.420084709e+00 -3.178347576e+00 2.42 -3.644102130e+00 -3.484976332e+00 -3.285094068e+00 2.44 -3.626825148e+00 -3.540597179e+00 -3.377431471e+00 2.46 -3.604118311e+00 -3.587578765e+00 -3.456282047e+00 2.48 -3.576482404e+00 -3.626526561e+00 -3.522600869e+00 2.50 -3.544458233e+00 -3.657958258e+00 -3.577380496e+00 2.52 -3.508521368e+00 -3.682435986e+00 -3.621669321e+00 2.54 -3.469075169e+00 -3.700431307e+00 -3.656567349e+00 2.56 -3.426456260e+00 -3.712560271e+00 -3.683265639e+00 2.58 -3.380942130e+00 -3.718882395e+00 -3.702891220e+00 2.60 -3.332761273e+00 -3.719235681e+00 -3.716411235e+00 2.62 -3.282105324e+00 -3.713597237e+00 -3.725324841e+00 2.64 -3.229142066e+00 -3.702063611e+00 -3.730024881e+00 2.66 -3.174028285e+00 -3.684828910e+00 -3.730398943e+00 2.68 -3.116921739e+00 -3.662193257e+00 -3.726360227e+00 2.70 -3.057991523e+00 -3.634556108e+00 -3.717843659e+00 2.72 -2.997425886e+00 -3.602413981e+00 -3.704805674e+00 2.74 -2.935436364e+00 -3.566309202e+00 -3.687236377e+00 2.76 -2.872257244e+00 -3.526762651e+00 -3.665172531e+00 2.78 -2.808140409e+00 -3.484245593e+00 -3.638737606e+00 2.80 -2.743345949e+00 -3.439159146e+00 -3.608156932e+00 2.82 -2.678131303e+00 -3.391827379e+00 -3.573693400e+00 2.84 -2.612739292e+00 -3.342499904e+00 -3.535639496e+00 2.86 -2.547395267e+00 -3.291368227e+00 -3.494312627e+00 2.88 -2.482292806e+00 -3.238585129e+00 -3.450046625e+00 2.90 -2.417597505e+00 -3.184284537e+00 -3.403178958e+00 2.92 -2.353445290e+00 -3.128598035e+00 -3.354042872e+00 2.94 -2.289944056e+00 -3.071666476e+00 -3.302947172e+00 2.96 -2.227177385e+00 -3.013646534e+00 -3.250173360e+00 2.98 -2.165209330e+00 -2.954712878e+00 -3.195970347e+00 3.00 -2.104089869e+00 -2.895056818e+00 -3.140556000e+00 3.02 -2.043860164e+00 -2.834882191e+00 -3.084122998e+00 3.04 -1.984556826e+00 -2.774399101e+00 -3.026847212e+00 3.06 -1.926214663e+00 -2.713816108e+00 -2.968896539e+00 3.08 -1.868867785e+00 -2.653331617e+00 -2.910438254e+00 3.10 -1.812549312e+00 -2.593125478e+00 -2.851643264e+00 3.12 -1.757290098e+00 -2.533351923e+00 -2.792686209e+00 3.14 -1.703116991e+00 -2.474134825e+00 -2.733741109e+00 3.16 -1.650051025e+00 -2.415565800e+00 -2.674973276e+00 3.18 -1.598105891e+00 -2.357705138e+00 -2.616529234e+00 3.20 -1.547286824e+00 -2.300585044e+00 -2.558527049e+00 3.22 -1.497590013e+00 -2.244214439e+00 -2.501049502e+00 3.24 -1.449001944e+00 -2.188583969e+00 -2.444140908e+00 3.26 -1.401502023e+00 -2.133674369e+00 -2.387813552e+00 3.28 -1.355059592e+00 -2.079457914e+00 -2.332048757e+00 3.30 -1.309637461e+00 -2.025906269e+00 -2.276810763e+00 3.32 -1.265192327e+00 -1.972993860e+00 -2.222056154e+00 3.34 -1.221676047e+00 -1.920701041e+00 -2.167743665e+00 3.36 -1.179037039e+00 -1.869016175e+00 -2.113842102e+00 3.38 -1.137221859e+00 -1.817934557e+00 -2.060335798e+00 3.40 -1.096177008e+00 -1.767466756e+00 -2.007227509e+00 3.42 -1.055851079e+00 -1.717624091e+00 -1.954538993e+00 3.44 -1.016197306e+00 -1.668426359e+00 -1.902309713e+00 3.46 -9.771764833e-01 -1.619897057e+00 -1.850594149e+00 3.48 -9.387607899e-01 -1.572061008e+00 -1.799458204e+00 3.50 -9.009367497e-01 -1.524942083e+00 -1.748975103e+00 3.52 -8.637091391e-01 -1.478561247e+00 -1.699221126e+00 3.54 -8.271035693e-01 -1.432935055e+00 -1.650271480e+00 3.56 -7.911677678e-01 -1.388074698e+00 -1.602196564e+00 3.58 -7.559707403e-01 -1.343985640e+00 -1.555058886e+00 3.60 -7.215982936e-01 -1.300667847e+00 -1.508910810e+00 3.62 -6.881511193e-01 -1.258116594e+00 -1.463793243e+00 3.64 -6.557295885e-01 -1.216323834e+00 -1.419735248e+00 3.66 -6.244288375e-01 -1.175280043e+00 -1.376754459e+00 3.68 -5.943280148e-01 -1.134976490e+00 -1.334858099e+00 3.70 -5.654825184e-01 -1.095407773e+00 -1.294044354e+00 3.72 -5.379191527e-01 -1.056574437e+00 -1.254303885e+00 3.74 -5.116340309e-01 -1.018485385e+00 -1.215619160e+00 3.76 -4.865979877e-01 -9.811597413e-01 -1.177974783e+00 3.78 -4.627563128e-01 -9.446277864e-01 -1.141344386e+00 3.80 -4.400391056e-01 -9.089306168e-01 -1.105701549e+00 3.82 -4.183677161e-01 -8.741183006e-01 -1.071017803e+00 3.84 -3.976619288e-01 -8.402465193e-01 -1.037263139e+00 3.86 -3.778462034e-01 -8.073719586e-01 -1.004406349e+00 3.88 -3.588545009e-01 -7.755469819e-01 -9.724152430e-01 3.90 -3.406334320e-01 -7.448143053e-01 -9.412567718e-01 3.92 -3.231436303e-01 -7.152024283e-01 -9.108970591e-01 3.94 -3.063593967e-01 -6.867224387e-01 -8.813013732e-01 3.96 -2.902667932e-01 -6.593652109e-01 -8.524340491e-01 3.98 -2.748605144e-01 -6.331072533e-01 -8.242583805e-01 4.00 -2.601399842e-01 -6.079037192e-01 -7.967365011e-01 4.02 -2.461052224e-01 -5.836974002e-01 -7.698292776e-01 4.04 -2.327530293e-01 -5.604204889e-01 -7.434962390e-01 4.06 -2.200739612e-01 -5.379980917e-01 -7.176955706e-01 4.08 -2.080504103e-01 -5.163515319e-01 -6.923842027e-01 4.10 -1.966558977e-01 -4.954012538e-01 -6.675180278e-01 4.12 -1.858554991e-01 -4.750692611e-01 -6.430522818e-01 4.14 -1.756071754e-01 -4.552811195e-01 -6.189421264e-01 4.16 -1.658637103e-01 -4.359676020e-01 -5.951434682e-01 4.18 -1.565749538e-01 -4.170660783e-01 -5.716140458e-01 4.20 -1.476901205e-01 -3.985217404e-01 -5.483148067e-01 4.22 -1.391599619e-01 -3.802887309e-01 -5.252115750e-01 4.24 -1.309387070e-01 -3.623312054e-01 -5.022769846e-01 4.26 -1.229857230e-01 -3.446243182e-01 -4.794926103e-01 4.28 -1.152666925e-01 -3.271550820e-01 -4.568511812e-01 4.30 -1.077550248e-01 -3.099230137e-01 -4.343587006e-01 4.32 -1.004326324e-01 -2.929404533e-01 -4.120362419e-01 4.34 -9.328997201e-02 -2.762324241e-01 -3.899211482e-01 4.36 -8.632611298e-02 -2.598359079e-01 -3.680673476e-01 4.38 -7.954834366e-02 -2.437984319e-01 -3.465445281e-01 4.40 -7.297129458e-02 -2.281759185e-01 -3.254360043e-01 4.42 -6.661558805e-02 -2.130298284e-01 -3.048352461e-01 4.44 -6.050606879e-02 -1.984237255e-01 -2.848412278e-01 4.46 -5.466972634e-02 -1.844194962e-01 -2.655529405e-01 4.48 -4.913347146e-02 -1.710735363e-01 -2.470635772e-01 4.50 -4.392196363e-02 -1.584332600e-01 -2.294549808e-01 4.52 -3.905569134e-02 -1.465342699e-01 -2.127929366e-01 4.54 -3.454947937e-02 -1.353984498e-01 -1.971237762e-01 4.56 -3.041154083e-02 -1.250331196e-01 -1.824725695e-01 4.58 -2.664311482e-02 -1.154312555e-01 -1.688422947e-01 4.60 -2.323866185e-02 -1.065726486e-01 -1.562179121e-01 4.62 -2.018652296e-02 -9.842578133e-02 -1.445645352e-01 4.64 -1.746990865e-02 -9.095015724e-02 -1.338337040e-01 4.66 -1.506777889e-02 -8.409881768e-02 -1.239662251e-01 4.68 -1.295656299e-02 -7.782081844e-02 -1.148958185e-01 4.70 -1.111155993e-02 -7.206349762e-02 -1.065525096e-01 4.72 -9.507366554e-03 -6.677440236e-02 -9.886558908e-02 4.74 -8.118792043e-03 -6.190268614e-02 -9.176605673e-02 4.76 -6.921560020e-03 -5.740076847e-02 -8.518853047e-02 4.78 -5.892806094e-03 -5.322522957e-02 -7.907253921e-02 4.80 -5.011395645e-03 -4.933701740e-02 -7.336361418e-02 4.82 -4.258093244e-03 -4.570179921e-02 -6.801411136e-02 4.84 -3.615616318e-03 -4.229012336e-02 -6.298311165e-02 4.86 -3.068603512e-03 -3.907739227e-02 -5.823645778e-02 4.88 -2.603524114e-03 -3.604368247e-02 -5.374656280e-02 4.90 -2.208550110e-03 -3.317343790e-02 -4.949201829e-02 4.92 -1.873407687e-03 -3.045505615e-02 -4.545703246e-02 4.94 -1.589220626e-03 -2.788038464e-02 -4.163072457e-02 4.96 -1.348354436e-03 -2.544414507e-02 -3.800630417e-02 4.98 -1.144267107e-03 -2.314330838e-02 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