# 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 = NiPd3 # 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 9.150215169e+02 nan nan 0.88 8.265765412e+02 nan nan 0.90 7.477059061e+02 nan nan 0.92 6.772707900e+02 nan nan 0.94 6.142743920e+02 nan nan 0.96 5.578484058e+02 8.234265030e+02 9.349472010e+02 0.98 5.072341383e+02 7.509609149e+02 8.537352282e+02 1.00 4.617614074e+02 6.856554744e+02 7.804105768e+02 1.02 4.208507732e+02 6.267273676e+02 7.141319379e+02 1.04 3.839877691e+02 5.734898252e+02 6.541473911e+02 1.06 3.507217773e+02 5.253327573e+02 5.998035965e+02 1.08 3.206536354e+02 4.817127793e+02 5.505092529e+02 1.10 2.934367306e+02 4.421548788e+02 5.057477492e+02 1.12 2.687617477e+02 4.062315207e+02 4.650549437e+02 1.14 2.463600970e+02 3.735642680e+02 4.280179903e+02 1.16 2.259912679e+02 3.438231918e+02 3.942691195e+02 1.18 2.074437940e+02 3.167107543e+02 3.634801939e+02 1.20 1.905308445e+02 2.919611226e+02 3.353600213e+02 1.22 1.750851693e+02 2.693369088e+02 3.096455742e+02 1.24 1.609614535e+02 2.486316193e+02 2.861022508e+02 1.26 1.480302838e+02 2.296584730e+02 2.645239194e+02 1.28 1.361755029e+02 2.122506350e+02 2.447231892e+02 1.30 1.252932876e+02 1.962575308e+02 2.265311579e+02 1.32 1.152939237e+02 1.815479584e+02 2.097990550e+02 1.34 1.060958258e+02 1.680032469e+02 1.943930020e+02 1.36 9.762557026e+01 1.555182060e+02 1.801922282e+02 1.38 8.981718281e+01 1.439975646e+02 1.670870950e+02 1.40 8.261333769e+01 1.333551301e+02 1.549799145e+02 1.42 7.596184789e+01 1.235139242e+02 1.437848154e+02 1.44 6.981573725e+01 1.144060420e+02 1.334233444e+02 1.46 6.413121007e+01 1.059692384e+02 1.238244888e+02 1.48 5.886986454e+01 9.814712749e+01 1.149226633e+02 1.50 5.399868202e+01 9.088932895e+01 1.066602729e+02 1.52 4.948627133e+01 8.415043107e+01 9.898634815e+01 1.54 4.530410310e+01 7.788843168e+01 9.185251290e+01 1.56 4.142626216e+01 7.206511179e+01 8.521699903e+01 1.58 3.782910095e+01 6.664678261e+01 7.904085816e+01 1.60 3.449005564e+01 6.160346662e+01 7.328854875e+01 1.62 3.139075345e+01 5.690688083e+01 6.792722342e+01 1.64 2.851319187e+01 5.253095698e+01 6.292818396e+01 1.66 2.581726711e+01 4.845209765e+01 5.826458864e+01 1.68 2.331954967e+01 4.464867280e+01 5.391187400e+01 1.70 2.098834348e+01 4.110068200e+01 4.984743738e+01 1.72 1.881516203e+01 3.778918497e+01 4.605061221e+01 1.74 1.679230882e+01 3.469846400e+01 4.250275842e+01 1.76 1.491184812e+01 3.181305847e+01 3.918648976e+01 1.78 1.316639210e+01 2.911802353e+01 3.608501414e+01 1.80 1.154861053e+01 2.658061126e+01 3.318407801e+01 1.82 1.005132211e+01 2.422089972e+01 3.047049648e+01 1.84 8.667653802e+00 2.200686834e+01 2.793166948e+01 1.86 7.390998720e+00 1.993106972e+01 2.553326797e+01 1.88 6.215172121e+00 1.798706274e+01 2.329877310e+01 1.90 5.134299207e+00 1.616840956e+01 2.119863961e+01 1.92 4.142069165e+00 1.446911117e+01 1.922692338e+01 1.94 3.232904479e+00 1.288317883e+01 1.737777860e+01 1.96 2.401365892e+00 1.140482766e+01 1.564547671e+01 1.98 1.642316699e+00 1.002846848e+01 1.402420107e+01 2.00 9.511989423e-01 8.748699093e+00 1.250880444e+01 2.02 3.237864624e-01 7.560309905e+00 1.109290382e+01 2.04 -2.442066373e-01 6.458287595e+00 9.772361730e+00 2.06 -7.568408293e-01 5.438136915e+00 8.542409444e+00 2.08 -1.217959741e+00 4.494520239e+00 7.398249258e+00 2.10 -1.631198212e+00 3.623208466e+00 6.335265102e+00 2.12 -2.000082652e+00 2.819655803e+00 5.349620577e+00 2.14 -2.327698455e+00 2.080136843e+00 4.436437334e+00 2.16 -2.616305414e+00 1.401024372e+00 3.591508440e+00 2.18 -2.869678128e+00 7.786513335e-01 2.810831734e+00 2.20 -3.090528040e+00 2.095262485e-01 2.090812302e+00 2.22 -3.281411395e+00 -3.096725235e-01 1.427942178e+00 2.24 -3.444729740e+00 -7.821027017e-01 8.188496362e-01 2.26 -3.582738205e+00 -1.210764068e+00 2.603201043e-01 2.28 -3.697993924e+00 -1.598505508e+00 -2.507087095e-01 2.30 -3.792023760e+00 -1.947874369e+00 -7.171519088e-01 2.32 -3.866806824e+00 -2.261596802e+00 -1.141782594e+00 2.34 -3.924161514e+00 -2.541597193e+00 -1.527236985e+00 2.36 -3.965430317e+00 -2.790374420e+00 -1.875866017e+00 2.38 -3.992180366e+00 -3.010396167e+00 -2.190578063e+00 2.40 -4.005338463e+00 -3.203724677e+00 -2.473218999e+00 2.42 -4.006751647e+00 -3.372452090e+00 -2.725792442e+00 2.44 -3.997474085e+00 -3.518270315e+00 -2.950456525e+00 2.46 -3.978614504e+00 -3.642903375e+00 -3.149133948e+00 2.48 -3.951075250e+00 -3.747978529e+00 -3.323649556e+00 2.50 -3.915554011e+00 -3.835025178e+00 -3.475728470e+00 2.52 -3.873341686e+00 -3.905867561e+00 -3.607000240e+00 2.54 -3.825225387e+00 -3.961667053e+00 -3.719002854e+00 2.56 -3.771940802e+00 -4.003500390e+00 -3.813186625e+00 2.58 -3.714162748e+00 -4.032390609e+00 -3.890917950e+00 2.60 -3.652509242e+00 -4.049279760e+00 -3.953482971e+00 2.62 -3.587545379e+00 -4.055230008e+00 -4.002091115e+00 2.64 -3.519787185e+00 -4.051540007e+00 -4.037878779e+00 2.66 -3.449969361e+00 -4.039355581e+00 -4.062168958e+00 2.68 -3.378980877e+00 -4.019504400e+00 -4.075401093e+00 2.70 -3.306473482e+00 -3.992416269e+00 -4.078807176e+00 2.72 -3.232427009e+00 -3.958560770e+00 -4.073274785e+00 2.74 -3.155447316e+00 -3.919019140e+00 -4.059622313e+00 2.76 -3.077973575e+00 -3.874406439e+00 -4.038615516e+00 2.78 -3.000414081e+00 -3.826282440e+00 -4.011075198e+00 2.80 -2.923018342e+00 -3.774778109e+00 -3.977752818e+00 2.82 -2.845843824e+00 -3.719726210e+00 -3.939066686e+00 2.84 -2.769661259e+00 -3.661585469e+00 -3.895587477e+00 2.86 -2.695058875e+00 -3.600778741e+00 -3.847843993e+00 2.88 -2.621061484e+00 -3.537695249e+00 -3.796326697e+00 2.90 -2.547798583e+00 -3.472692723e+00 -3.741489924e+00 2.92 -2.475384043e+00 -3.406095734e+00 -3.683754003e+00 2.94 -2.403918677e+00 -3.338259493e+00 -3.623507274e+00 2.96 -2.333757292e+00 -3.269202727e+00 -3.561108060e+00 2.98 -2.264691588e+00 -3.197793158e+00 -3.496886480e+00 3.00 -2.196786388e+00 -3.125759112e+00 -3.431146265e+00 3.02 -2.130096562e+00 -3.053514570e+00 -3.364147562e+00 3.04 -2.064668270e+00 -2.981236849e+00 -3.296209303e+00 3.06 -2.000539053e+00 -2.909093325e+00 -3.225549318e+00 3.08 -1.937738954e+00 -2.837232834e+00 -3.156021579e+00 3.10 -1.876288513e+00 -2.765788892e+00 -3.086186610e+00 3.12 -1.816213693e+00 -2.694880903e+00 -3.016210427e+00 3.14 -1.757551471e+00 -2.624615269e+00 -2.946256581e+00 3.16 -1.700217041e+00 -2.555086428e+00 -2.876470249e+00 3.18 -1.644128221e+00 -2.486377803e+00 -2.806982542e+00 3.20 -1.589374051e+00 -2.418562707e+00 -2.737911532e+00 3.22 -1.536041203e+00 -2.351705245e+00 -2.669363235e+00 3.24 -1.484092095e+00 -2.285853627e+00 -2.601432510e+00 3.26 -1.433502121e+00 -2.221949168e+00 -2.534203932e+00 3.28 -1.384268472e+00 -2.159416739e+00 -2.467752614e+00 3.30 -1.336270851e+00 -2.097955352e+00 -2.402144810e+00 3.32 -1.289374687e+00 -2.037596670e+00 -2.337438654e+00 3.34 -1.243532671e+00 -1.978367462e+00 -2.273684993e+00 3.36 -1.198860784e+00 -1.920288829e+00 -2.210927862e+00 3.38 -1.155467397e+00 -1.863372782e+00 -2.149205440e+00 3.40 -1.113400372e+00 -1.807649452e+00 -2.088603292e+00 3.42 -1.072610858e+00 -1.753137451e+00 -2.029235303e+00 3.44 -1.033058681e+00 -1.699752706e+00 -1.970971287e+00 3.46 -9.947024292e-01 -1.647436374e+00 -1.913830460e+00 3.48 -9.575080785e-01 -1.596267857e+00 -1.857826436e+00 3.50 -9.214467497e-01 -1.546316745e+00 -1.802994056e+00 3.52 -8.865018122e-01 -1.497561302e+00 -1.749316778e+00 3.54 -8.526425756e-01 -1.449981307e+00 -1.696706569e+00 3.56 -8.198469974e-01 -1.403564420e+00 -1.645146136e+00 3.58 -7.880873718e-01 -1.358228288e+00 -1.594722914e+00 3.60 -7.572777928e-01 -1.313866758e+00 -1.545484788e+00 3.62 -7.274299330e-01 -1.270431054e+00 -1.497397832e+00 3.64 -6.985110452e-01 -1.227976497e+00 -1.450445088e+00 3.66 -6.704909381e-01 -1.186593452e+00 -1.404628396e+00 3.68 -6.434181949e-01 -1.146342753e+00 -1.359858672e+00 3.70 -6.173252609e-01 -1.107215310e+00 -1.316026777e+00 3.72 -5.922416590e-01 -1.069185365e+00 -1.273065375e+00 3.74 -5.682370624e-01 -1.032221856e+00 -1.231041664e+00 3.76 -5.452157051e-01 -9.962925355e-01 -1.190462912e+00 3.78 -5.231099089e-01 -9.613685498e-01 -1.151216943e+00 3.80 -5.018526411e-01 -9.274321979e-01 -1.113039988e+00 3.82 -4.812535516e-01 -8.944683270e-01 -1.075893919e+00 3.84 -4.611673130e-01 -8.624601801e-01 -1.039753101e+00 3.86 -4.414898329e-01 -8.313817783e-01 -1.004590220e+00 3.88 -4.221496955e-01 -8.011825053e-01 -9.703793579e-01 3.90 -4.031010854e-01 -7.718412793e-01 -9.370996186e-01 3.92 -3.843179574e-01 -7.433560979e-01 -9.047400429e-01 3.94 -3.657892622e-01 -7.157237018e-01 -8.732892007e-01 3.96 -3.474819593e-01 -6.889058930e-01 -8.427229403e-01 3.98 -3.294009906e-01 -6.628793707e-01 -8.130290643e-01 4.00 -3.116084508e-01 -6.376808856e-01 -7.841466685e-01 4.02 -2.941200428e-01 -6.133574475e-01 -7.560483423e-01 4.04 -2.770169479e-01 -5.899380536e-01 -7.287548037e-01 4.06 -2.603820574e-01 -5.673593677e-01 -7.022647417e-01 4.08 -2.442765314e-01 -5.455861367e-01 -6.765216052e-01 4.10 -2.287436718e-01 -5.245610258e-01 -6.515520914e-01 4.12 -2.138121827e-01 -5.042835930e-01 -6.273845830e-01 4.14 -1.994989095e-01 -4.846509841e-01 -6.040448709e-01 4.16 -1.858111332e-01 -4.655807133e-01 -5.816022176e-01 4.18 -1.727484897e-01 -4.472252201e-01 -5.599898792e-01 4.20 -1.603045683e-01 -4.292009654e-01 -5.391230663e-01 4.22 -1.484682407e-01 -4.114608229e-01 -5.189517125e-01 4.24 -1.372247619e-01 -3.939732539e-01 -4.994704714e-01 4.26 -1.265566790e-01 -3.766961799e-01 -4.805527667e-01 4.28 -1.164475536e-01 -3.596244083e-01 -4.620876141e-01 4.30 -1.071791880e-01 -3.427904862e-01 -4.439924796e-01 4.32 -9.904886307e-02 -3.262236230e-01 -4.262079374e-01 4.34 -9.217978868e-02 -3.099395857e-01 -4.086931611e-01 4.36 -8.613088621e-02 -2.939470563e-01 -3.914221324e-01 4.38 -8.039556695e-02 -2.782582316e-01 -3.743804625e-01 4.40 -7.495988386e-02 -2.629405398e-01 -3.575299128e-01 4.42 -6.981007569e-02 -2.480483074e-01 -3.408730885e-01 4.44 -6.493265707e-02 -2.336218501e-01 -3.244590360e-01 4.46 -6.031448708e-02 -2.196898134e-01 -3.083290719e-01 4.48 -5.594282008e-02 -2.062711669e-01 -2.925023387e-01 4.50 -5.180534202e-02 -1.933769030e-01 -2.769897035e-01 4.52 -4.789019490e-02 -1.810114804e-01 -2.618532209e-01 4.54 -4.418599157e-02 -1.691740472e-01 -2.471426737e-01 4.56 -4.068182286e-02 -1.578594770e-01 -2.328949294e-01 4.58 -3.736725850e-02 -1.470619435e-01 -2.191360714e-01 4.60 -3.423234313e-02 -1.373342731e-01 -2.058832218e-01 4.62 -3.126758852e-02 -1.286145087e-01 -1.931460979e-01 4.64 -2.846396295e-02 -1.203055743e-01 -1.809283379e-01 4.66 -2.581287832e-02 -1.123936387e-01 -1.692286290e-01 4.68 -2.330617578e-02 -1.048644113e-01 -1.580416620e-01 4.70 -2.093611016e-02 -9.770334056e-02 -1.473589406e-01 4.72 -1.869533384e-02 -9.089577690e-02 -1.371694629e-01 4.74 -1.656689085e-02 -8.442710639e-02 -1.274602954e-01 4.76 -1.547576431e-02 -7.828285898e-02 -1.182170530e-01 4.78 -1.444925683e-02 -7.245200505e-02 -1.094291742e-01 4.80 -1.347280531e-02 -6.693746964e-02 -1.011061344e-01 4.82 -1.254407223e-02 -6.221640462e-02 -9.397695787e-02 4.84 -1.166082233e-02 -5.775548729e-02 -8.723457734e-02 4.86 -1.082091874e-02 -5.352200751e-02 -8.083155154e-02 4.88 -1.002231908e-02 -4.950383615e-02 -7.475124339e-02 4.90 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-6.217942274e-03 5.26 -5.563340017e-04 -2.685591435e-03 -4.030773207e-03 5.28 -2.710630801e-04 -1.307246317e-03 -1.961441369e-03 5.30 -5.264041527e-16 -2.050562898e-15 -2.385953372e-15 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 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