# 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 = AuPd3 # 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 9.679204830e+02 nan nan 0.92 8.809634928e+02 nan nan 0.94 8.026895930e+02 nan nan 0.96 7.321261531e+02 nan nan 0.98 6.684219154e+02 9.725440736e+02 nan 1.00 6.108289827e+02 8.918597105e+02 1.006582024e+03 1.02 5.586899837e+02 8.186223821e+02 9.249706678e+02 1.04 5.114262916e+02 7.520605255e+02 8.507274440e+02 1.06 4.685275437e+02 6.914920347e+02 7.831051930e+02 1.08 4.295418005e+02 6.363112236e+02 7.214405961e+02 1.10 3.940681927e+02 5.859806381e+02 6.651452184e+02 1.12 3.617523092e+02 5.400227120e+02 6.136945887e+02 1.14 3.322797181e+02 4.980111313e+02 5.666210501e+02 1.16 3.053693711e+02 4.595661417e+02 5.235072864e+02 1.18 2.807720525e+02 4.243480388e+02 4.839796479e+02 1.20 2.582651505e+02 3.920529278e+02 4.477036649e+02 1.22 2.376499129e+02 3.624081755e+02 4.143794334e+02 1.24 2.187488803e+02 3.351692948e+02 3.837372154e+02 1.26 2.014027509e+02 3.101174225e+02 3.555349783e+02 1.28 1.854685328e+02 2.870558048e+02 3.295547695e+02 1.30 1.708181683e+02 2.658067849e+02 3.056001878e+02 1.32 1.573365692e+02 2.462106732e+02 2.834943044e+02 1.34 1.449201856e+02 2.281233720e+02 2.630770508e+02 1.36 1.334753164e+02 2.114148231e+02 2.442039071e+02 1.38 1.229183442e+02 1.959676447e+02 2.267439929e+02 1.40 1.131732259e+02 1.816753507e+02 2.105788327e+02 1.42 1.041712496e+02 1.684414621e+02 1.956011773e+02 1.44 9.585012009e+01 1.561788269e+02 1.817135516e+02 1.46 8.815304166e+01 1.448079839e+02 1.688274377e+02 1.48 8.102932147e+01 1.342568699e+02 1.568621946e+02 1.50 7.443233139e+01 1.244603474e+02 1.457444556e+02 1.52 6.831986528e+01 1.153588163e+02 1.354077748e+02 1.54 6.265326964e+01 1.068978314e+02 1.257911445e+02 1.56 5.739749534e+01 9.902760121e+01 1.168389510e+02 1.58 5.252033197e+01 9.170282894e+01 1.085009216e+02 1.60 4.799285154e+01 8.488233049e+01 1.007306764e+02 1.62 4.378804979e+01 7.852820862e+01 9.348561636e+01 1.64 3.988139144e+01 7.260559996e+01 8.672694823e+01 1.66 3.625126854e+01 6.708294899e+01 8.041901953e+01 1.68 3.287691350e+01 6.193111405e+01 7.452900425e+01 1.70 2.973479418e+01 5.712326254e+01 6.902658052e+01 1.72 2.683261764e+01 5.263471240e+01 6.388446126e+01 1.74 2.414535029e+01 4.844272817e+01 5.907717418e+01 1.76 2.165918523e+01 4.452637287e+01 5.458125068e+01 1.78 1.936059619e+01 4.086620587e+01 5.037488569e+01 1.80 1.723714076e+01 3.744442022e+01 4.643810324e+01 1.82 1.527717468e+01 3.424468550e+01 4.275252478e+01 1.84 1.346970238e+01 3.124742814e+01 3.930109704e+01 1.86 1.180446356e+01 2.845959500e+01 3.606889672e+01 1.88 1.027174304e+01 2.586166261e+01 3.303418017e+01 1.90 8.862397057e+00 2.344193192e+01 3.019888908e+01 1.92 7.568157099e+00 2.118975313e+01 2.755364268e+01 1.94 6.380990451e+00 1.909484975e+01 2.508449781e+01 1.96 5.293215142e+00 1.714754233e+01 2.278098995e+01 1.98 4.298117983e+00 1.533869911e+01 2.063324276e+01 2.00 3.389141654e+00 1.365972471e+01 1.863193779e+01 2.02 2.560227030e+00 1.210253699e+01 1.676787959e+01 2.04 1.805671129e+00 1.065952331e+01 1.503298946e+01 2.06 1.120136838e+00 9.323382763e+00 1.341952042e+01 2.08 4.984335175e-01 8.087224308e+00 1.192010451e+01 2.10 -6.392751842e-02 6.944898994e+00 1.052777292e+01 2.12 -5.713138489e-01 5.890099489e+00 9.235858412e+00 2.14 -1.027690270e+00 4.917333117e+00 8.038304562e+00 2.16 -1.436638829e+00 4.021383764e+00 6.929275894e+00 2.18 -1.801255233e+00 3.197278350e+00 5.903094948e+00 2.20 -2.125720826e+00 2.440375133e+00 4.954700223e+00 2.22 -2.413152663e+00 1.746181090e+00 4.079234095e+00 2.24 -2.666456376e+00 1.110596584e+00 3.272083976e+00 2.26 -2.888348838e+00 5.297437811e-01 2.528902491e+00 2.28 -3.081793061e+00 -5.262151705e-05 1.845574797e+00 2.30 -3.248678029e+00 -4.823070194e-01 1.218247530e+00 2.32 -3.391324095e+00 -9.203550604e-01 6.432934046e-01 2.34 -3.511899486e+00 -1.316924053e+00 1.172903599e-01 2.36 -3.612012492e+00 -1.674328540e+00 -3.629847421e-01 2.38 -3.693649927e+00 -1.995721968e+00 -8.009718387e-01 2.40 -3.758378230e+00 -2.283905043e+00 -1.199451614e+00 2.42 -3.806795671e+00 -2.541287214e+00 -1.560129651e+00 2.44 -3.841064280e+00 -2.770070715e+00 -1.885803586e+00 2.46 -3.862452873e+00 -2.972337490e+00 -2.179230878e+00 2.48 -3.872140175e+00 -3.150043459e+00 -2.442637460e+00 2.50 -3.871239621e+00 -3.305020575e+00 -2.678274739e+00 2.52 -3.860782019e+00 -3.438984028e+00 -2.887960495e+00 2.54 -3.841721155e+00 -3.553539058e+00 -3.073528222e+00 2.56 -3.814939020e+00 -3.650187416e+00 -3.236711844e+00 2.58 -3.781250705e+00 -3.730333890e+00 -3.379138272e+00 2.60 -3.741408975e+00 -3.795228147e+00 -3.502333496e+00 2.62 -3.696108539e+00 -3.845928132e+00 -3.607728338e+00 2.64 -3.645990512e+00 -3.883268907e+00 -3.696664572e+00 2.66 -3.591915904e+00 -3.909096280e+00 -3.770771425e+00 2.68 -3.534400101e+00 -3.924459771e+00 -3.831120177e+00 2.70 -3.473671475e+00 -3.930026670e+00 -3.878125580e+00 2.72 -3.410188661e+00 -3.926662219e+00 -3.912823911e+00 2.74 -3.344369861e+00 -3.915174496e+00 -3.936603575e+00 2.76 -3.276729814e+00 -3.896304216e+00 -3.950364019e+00 2.78 -3.205908828e+00 -3.871899201e+00 -3.954978816e+00 2.80 -3.132819064e+00 -3.842164738e+00 -3.951293827e+00 2.82 -3.058913977e+00 -3.806942607e+00 -3.939955200e+00 2.84 -2.985011351e+00 -3.766794416e+00 -3.921649982e+00 2.86 -2.911793938e+00 -3.722244383e+00 -3.897019211e+00 2.88 -2.838372620e+00 -3.673779475e+00 -3.866660692e+00 2.90 -2.764954744e+00 -3.621874523e+00 -3.831131608e+00 2.92 -2.691720577e+00 -3.567174689e+00 -3.790950958e+00 2.94 -2.618843759e+00 -3.509797717e+00 -3.746601869e+00 2.96 -2.546842727e+00 -3.450104757e+00 -3.698533799e+00 2.98 -2.475456230e+00 -3.388426907e+00 -3.647164560e+00 3.00 -2.404791890e+00 -3.325018377e+00 -3.592882280e+00 3.02 -2.334953580e+00 -3.259447885e+00 -3.536047198e+00 3.04 -2.266033121e+00 -3.191410394e+00 -3.476993106e+00 3.06 -2.198111015e+00 -3.122373575e+00 -3.416084556e+00 3.08 -2.131270788e+00 -3.052817235e+00 -3.355423644e+00 3.10 -2.065724545e+00 -2.982920181e+00 -3.293147562e+00 3.12 -2.001344746e+00 -2.912864702e+00 -3.227763767e+00 3.14 -1.938177460e+00 -2.842813787e+00 -3.161259787e+00 3.16 -1.876260387e+00 -2.772915610e+00 -3.094141498e+00 3.18 -1.815625072e+00 -2.703304564e+00 -3.026568741e+00 3.20 -1.756294174e+00 -2.634102235e+00 -2.958714832e+00 3.22 -1.698401513e+00 -2.565418318e+00 -2.890991266e+00 3.24 -1.641868733e+00 -2.497334297e+00 -2.823333829e+00 3.26 -1.586675661e+00 -2.430828139e+00 -2.755814235e+00 3.28 -1.532837485e+00 -2.365351166e+00 -2.688555045e+00 3.30 -1.480351623e+00 -2.300665666e+00 -2.621667672e+00 3.32 -1.429203415e+00 -2.236835813e+00 -2.555253127e+00 3.34 -1.379399231e+00 -2.173919524e+00 -2.489402720e+00 3.36 -1.330926846e+00 -2.111967386e+00 -2.424198625e+00 3.38 -1.283652310e+00 -2.051023762e+00 -2.359714679e+00 3.40 -1.237444378e+00 -1.991138715e+00 -2.296016937e+00 3.42 -1.192290102e+00 -1.932500830e+00 -2.233163822e+00 3.44 -1.148304679e+00 -1.874959103e+00 -2.171207420e+00 3.46 -1.105587063e+00 -1.818536932e+00 -2.110193175e+00 3.48 -1.064179578e+00 -1.763252177e+00 -2.050160700e+00 3.50 -1.024042116e+00 -1.709119993e+00 -1.991144543e+00 3.52 -9.851466135e-01 -1.656148981e+00 -1.933173552e+00 3.54 -9.474518506e-01 -1.604348490e+00 -1.876272812e+00 3.56 -9.109248419e-01 -1.553724004e+00 -1.820462155e+00 3.58 -8.755429998e-01 -1.504277719e+00 -1.765758322e+00 3.60 -8.412933455e-01 -1.456000955e+00 -1.712173829e+00 3.62 -8.081629757e-01 -1.408890833e+00 -1.659717487e+00 3.64 -7.760882670e-01 -1.362930775e+00 -1.608393401e+00 3.66 -7.450071082e-01 -1.318069016e+00 -1.558212979e+00 3.68 -7.148756699e-01 -1.274202598e+00 -1.509176744e+00 3.70 -6.857379044e-01 -1.231270196e+00 -1.461270297e+00 3.72 -6.576321486e-01 -1.189289783e+00 -1.414491864e+00 3.74 -6.305815841e-01 -1.148347765e+00 -1.368842944e+00 3.76 -6.045968739e-01 -1.108505798e+00 -1.324668203e+00 3.78 -5.797155175e-01 -1.069789991e+00 -1.281652999e+00 3.80 -5.559464687e-01 -1.032174660e+00 -1.239493498e+00 3.82 -5.332270147e-01 -9.956364367e-01 -1.198221542e+00 3.84 -5.113623771e-01 -9.601494626e-01 -1.157926230e+00 3.86 -4.901771786e-01 -9.256793440e-01 -1.118677757e+00 3.88 -4.695421007e-01 -8.922066074e-01 -1.080506710e+00 3.90 -4.493645873e-01 -8.597188180e-01 -1.043382163e+00 3.92 -4.295811311e-01 -8.282056851e-01 -1.007281599e+00 3.94 -4.101508983e-01 -7.976566875e-01 -9.722780135e-01 3.96 -3.910504867e-01 -7.680016030e-01 -9.382671153e-01 3.98 -3.722696397e-01 -7.391780029e-01 -9.052051724e-01 4.00 -3.538040937e-01 -7.111785328e-01 -8.730817251e-01 4.02 -3.356299102e-01 -6.840429400e-01 -8.418883678e-01 4.04 -3.177676311e-01 -6.578012122e-01 -8.116164998e-01 4.06 -3.002524158e-01 -6.324721764e-01 -7.822409466e-01 4.08 -2.831764131e-01 -6.080653048e-01 -7.536762486e-01 4.10 -2.666102852e-01 -5.845852111e-01 -7.258799896e-01 4.12 -2.506051602e-01 -5.621011091e-01 -6.988925767e-01 4.14 -2.351961490e-01 -5.405821921e-01 -6.727480826e-01 4.16 -2.204053034e-01 -5.198725083e-01 -6.474695079e-01 4.18 -2.062440993e-01 -4.998128377e-01 -6.230704901e-01 4.20 -1.927155151e-01 -4.802818962e-01 -5.995567899e-01 4.22 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-2.726430620e-01 4.58 -4.651619741e-02 -1.758365454e-01 -2.578223602e-01 4.60 -4.259659231e-02 -1.649465938e-01 -2.434909692e-01 4.62 -3.889479711e-02 -1.551128716e-01 -2.296702050e-01 4.64 -3.539896232e-02 -1.457165175e-01 -2.163731698e-01 4.66 -3.209783009e-02 -1.367644656e-01 -2.036062018e-01 4.68 -2.898071501e-02 -1.282420753e-01 -1.913701081e-01 4.70 -2.603748340e-02 -1.201340372e-01 -1.796612118e-01 4.72 -2.326174489e-02 -1.124246925e-01 -1.684722384e-01 4.74 -2.066422414e-02 -1.050982257e-01 -1.577930649e-01 4.76 -1.903005027e-02 -9.813882102e-02 -1.476113512e-01 4.78 -1.752582752e-02 -9.153078943e-02 -1.379130676e-01 4.80 -1.610753475e-02 -8.525563570e-02 -1.286829395e-01 4.82 -1.476695067e-02 -7.939114318e-02 -1.199048126e-01 4.84 -1.349987652e-02 -7.386187423e-02 -1.115619600e-01 4.86 -1.230233439e-02 -6.861575863e-02 -1.036373323e-01 4.88 -1.117055644e-02 -6.363945169e-02 -9.611376314e-02 4.90 -1.010097448e-02 -5.892005858e-02 -8.897413567e-02 4.92 -9.090209995e-03 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