# 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--ipr1 # 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 3.075288527e+02 nan nan 1.02 2.808956265e+02 nan nan 1.04 2.566387868e+02 nan nan 1.06 2.345323981e+02 nan nan 1.08 2.143755071e+02 nan nan 1.10 1.959857982e+02 2.951594813e+02 nan 1.12 1.791965887e+02 2.715854410e+02 3.095289455e+02 1.14 1.638563305e+02 2.499534217e+02 2.854298630e+02 1.16 1.498295277e+02 2.300940005e+02 2.632748626e+02 1.18 1.369971084e+02 2.118521122e+02 2.428905513e+02 1.20 1.252530730e+02 1.950843650e+02 2.241232834e+02 1.22 1.145002438e+02 1.796585371e+02 2.068369197e+02 1.24 1.046491839e+02 1.654550231e+02 1.909084185e+02 1.26 9.561858003e+01 1.523688579e+02 1.762253379e+02 1.28 8.733488017e+01 1.403082513e+02 1.626839380e+02 1.30 7.973093688e+01 1.291906260e+02 1.501881349e+02 1.32 7.274585499e+01 1.189395305e+02 1.386494144e+02 1.34 6.632560989e+01 1.094839811e+02 1.279873556e+02 1.36 6.042304277e+01 1.007586739e+02 1.181292899e+02 1.38 5.499655898e+01 9.270425872e+01 1.090091598e+02 1.40 5.000874142e+01 8.526660930e+01 1.005662680e+02 1.42 4.542502025e+01 7.839621751e+01 9.274526802e+01 1.44 4.121307741e+01 7.204758025e+01 8.549695354e+01 1.46 3.734225716e+01 6.617835568e+01 7.877794487e+01 1.48 3.378369900e+01 6.074929808e+01 7.254964911e+01 1.50 3.051085037e+01 5.572451162e+01 6.677655453e+01 1.52 2.749971988e+01 5.107165810e+01 6.142527530e+01 1.54 2.472866369e+01 4.676165395e+01 5.646447468e+01 1.56 2.217786880e+01 4.276801581e+01 5.186516117e+01 1.58 1.982883027e+01 3.906614898e+01 4.760058869e+01 1.60 1.766426916e+01 3.563338374e+01 4.364618825e+01 1.62 1.566828025e+01 3.244932460e+01 3.997928180e+01 1.64 1.382919278e+01 2.949601757e+01 3.657872423e+01 1.66 1.214178030e+01 2.675759155e+01 3.342445051e+01 1.68 1.059485393e+01 2.421978670e+01 3.049744984e+01 1.70 9.178065510e+00 2.186932292e+01 2.777977864e+01 1.72 7.882154432e+00 1.969366845e+01 2.525507430e+01 1.74 6.698665616e+00 1.768078020e+01 2.290871136e+01 1.76 5.619761951e+00 1.581908070e+01 2.072777502e+01 1.78 4.638103046e+00 1.409830588e+01 1.870069637e+01 1.80 3.746683890e+00 1.251451270e+01 1.681694860e+01 1.82 2.938735776e+00 1.105826689e+01 1.506675776e+01 1.84 2.207611500e+00 9.719320328e+00 1.344278374e+01 1.86 1.546810784e+00 8.488257517e+00 1.194202345e+01 1.88 9.500588523e-01 7.356512329e+00 1.055658046e+01 1.90 4.114536814e-01 6.316198651e+00 9.278787710e+00 1.92 -7.443705372e-02 5.360030226e+00 8.101577816e+00 1.94 -5.125058716e-01 4.481287767e+00 7.018309685e+00 1.96 -9.071583066e-01 3.673821855e+00 6.022565064e+00 1.98 -1.262358278e+00 2.932121032e+00 5.108064553e+00 2.00 -1.581696047e+00 2.251299099e+00 4.268643042e+00 2.02 -1.868395758e+00 1.627054866e+00 3.498362682e+00 2.04 -2.125306230e+00 1.055560822e+00 2.791642742e+00 2.06 -2.354899310e+00 5.333554201e-01 2.143410559e+00 2.08 -2.559320311e+00 5.722426907e-02 1.549117435e+00 2.10 -2.740458593e+00 -3.758785720e-01 1.004707863e+00 2.12 -2.900030036e+00 -7.688663151e-01 5.065239797e-01 2.14 -3.039647595e+00 -1.124521237e+00 5.122702260e-02 2.16 -3.160871607e+00 -1.445515354e+00 -3.643211766e-01 2.18 -3.265223687e+00 -1.734399918e+00 -7.431204554e-01 2.20 -3.354181393e+00 -1.993602514e+00 -1.088059696e+00 2.22 -3.429151867e+00 -2.225453008e+00 -1.401935521e+00 2.24 -3.491431771e+00 -2.432175299e+00 -1.687380444e+00 2.26 -3.542189365e+00 -2.615918143e+00 -1.946825037e+00 2.28 -3.582479046e+00 -2.778737014e+00 -2.182384540e+00 2.30 -3.613313476e+00 -2.922631798e+00 -2.395883626e+00 2.32 -3.635507368e+00 -3.049508670e+00 -2.588825079e+00 2.34 -3.650630033e+00 -3.161169473e+00 -2.762488209e+00 2.36 -3.659016340e+00 -3.259246190e+00 -2.917973523e+00 2.38 -3.660581906e+00 -3.345158388e+00 -3.056279467e+00 2.40 -3.655497121e+00 -3.420084400e+00 -3.178346957e+00 2.42 -3.644102190e+00 -3.484976046e+00 -3.285093673e+00 2.44 -3.626825294e+00 -3.540597287e+00 -3.377431702e+00 2.46 -3.604118180e+00 -3.587578722e+00 -3.456281811e+00 2.48 -3.576482303e+00 -3.626525837e+00 -3.522600032e+00 2.50 -3.544458089e+00 -3.657958470e+00 -3.577380725e+00 2.52 -3.508521336e+00 -3.682435390e+00 -3.621668588e+00 2.54 -3.469075091e+00 -3.700431245e+00 -3.656567329e+00 2.56 -3.426456156e+00 -3.712560102e+00 -3.683265559e+00 2.58 -3.380942107e+00 -3.718882365e+00 -3.702891179e+00 2.60 -3.332761142e+00 -3.719235850e+00 -3.716411451e+00 2.62 -3.282105341e+00 -3.713597166e+00 -3.725324630e+00 2.64 -3.229142353e+00 -3.702063759e+00 -3.730025124e+00 2.66 -3.174028317e+00 -3.684828784e+00 -3.730398759e+00 2.68 -3.116921903e+00 -3.662193338e+00 -3.726360211e+00 2.70 -3.057991702e+00 -3.634556076e+00 -3.717843613e+00 2.72 -2.997426250e+00 -3.602414022e+00 -3.704805766e+00 2.74 -2.935436573e+00 -3.566309263e+00 -3.687236648e+00 2.76 -2.872257275e+00 -3.526762587e+00 -3.665172412e+00 2.78 -2.808140602e+00 -3.484245797e+00 -3.638737612e+00 2.80 -2.743346420e+00 -3.439159383e+00 -3.608156920e+00 2.82 -2.678131401e+00 -3.391827652e+00 -3.573693766e+00 2.84 -2.612739219e+00 -3.342500028e+00 -3.535639503e+00 2.86 -2.547395784e+00 -3.291368478e+00 -3.494312811e+00 2.88 -2.482293102e+00 -3.238585233e+00 -3.450046507e+00 2.90 -2.417597971e+00 -3.184284899e+00 -3.403179034e+00 2.92 -2.353445690e+00 -3.128598498e+00 -3.354043113e+00 2.94 -2.289944605e+00 -3.071666642e+00 -3.302947310e+00 2.96 -2.227177929e+00 -3.013647148e+00 -3.250173837e+00 2.98 -2.165209924e+00 -2.954713229e+00 -3.195970689e+00 3.00 -2.104089942e+00 -2.895057513e+00 -3.140556624e+00 3.02 -2.043860454e+00 -2.834882811e+00 -3.084123345e+00 3.04 -1.984556910e+00 -2.774399431e+00 -3.026847667e+00 3.06 -1.926214934e+00 -2.713816306e+00 -2.968896785e+00 3.08 -1.868868073e+00 -2.653331734e+00 -2.910438402e+00 3.10 -1.812549782e+00 -2.593125633e+00 -2.851643602e+00 3.12 -1.757290448e+00 -2.533351875e+00 -2.792686056e+00 3.14 -1.703117079e+00 -2.474134952e+00 -2.733741064e+00 3.16 -1.650050987e+00 -2.415565691e+00 -2.674973058e+00 3.18 -1.598106141e+00 -2.357705033e+00 -2.616529178e+00 3.20 -1.547286695e+00 -2.300585117e+00 -2.558527135e+00 3.22 -1.497590159e+00 -2.244214577e+00 -2.501049568e+00 3.24 -1.449002312e+00 -2.188584188e+00 -2.444141197e+00 3.26 -1.401502126e+00 -2.133674267e+00 -2.387813297e+00 3.28 -1.355059889e+00 -2.079458031e+00 -2.332049193e+00 3.30 -1.309637425e+00 -2.025906476e+00 -2.276811048e+00 3.32 -1.265192528e+00 -1.972994047e+00 -2.222056458e+00 3.34 -1.221676399e+00 -1.920701293e+00 -2.167743962e+00 3.36 -1.179037019e+00 -1.869016239e+00 -2.113842154e+00 3.38 -1.137222032e+00 -1.817935001e+00 -2.060336266e+00 3.40 -1.096177180e+00 -1.767466818e+00 -2.007227485e+00 3.42 -1.055851245e+00 -1.717624470e+00 -1.954539314e+00 3.44 -1.016197636e+00 -1.668426574e+00 -1.902309757e+00 3.46 -9.771765074e-01 -1.619897388e+00 -1.850594511e+00 3.48 -9.387611329e-01 -1.572061266e+00 -1.799458497e+00 3.50 -9.009369905e-01 -1.524942143e+00 -1.748975399e+00 3.52 -8.637093391e-01 -1.478561798e+00 -1.699221723e+00 3.54 -8.271037048e-01 -1.432935419e+00 -1.650272005e+00 3.56 -7.911680259e-01 -1.388075184e+00 -1.602197302e+00 3.58 -7.559711640e-01 -1.343985617e+00 -1.555058936e+00 3.60 -7.215984694e-01 -1.300668077e+00 -1.508911317e+00 3.62 -6.881515536e-01 -1.258116564e+00 -1.463793230e+00 3.64 -6.557297338e-01 -1.216323926e+00 -1.419735309e+00 3.66 -6.244293609e-01 -1.175280262e+00 -1.376754579e+00 3.68 -5.943280857e-01 -1.134976699e+00 -1.334858337e+00 3.70 -5.654826615e-01 -1.095407829e+00 -1.294044292e+00 3.72 -5.379194878e-01 -1.056574728e+00 -1.254304201e+00 3.74 -5.116343108e-01 -1.018485372e+00 -1.215619164e+00 3.76 -4.865980700e-01 -9.811599579e-01 -1.177974927e+00 3.78 -4.627563043e-01 -9.446276648e-01 -1.141344158e+00 3.80 -4.400391881e-01 -9.089309501e-01 -1.105701637e+00 3.82 -4.183676234e-01 -8.741182402e-01 -1.071017594e+00 3.84 -3.976620676e-01 -8.402468943e-01 -1.037263399e+00 3.86 -3.778462506e-01 -8.073718357e-01 -1.004406094e+00 3.88 -3.588546362e-01 -7.755471687e-01 -9.724153268e-01 3.90 -3.406333282e-01 -7.448144499e-01 -9.412568264e-01 3.92 -3.231438431e-01 -7.152027864e-01 -9.108971326e-01 3.94 -3.063594681e-01 -6.867225828e-01 -8.813016088e-01 3.96 -2.902666817e-01 -6.593654140e-01 -8.524341320e-01 3.98 -2.748606277e-01 -6.331075129e-01 -8.242585666e-01 4.00 -2.601399592e-01 -6.079039538e-01 -7.967367149e-01 4.02 -2.461053282e-01 -5.836976452e-01 -7.698294984e-01 4.04 -2.327529719e-01 -5.604203979e-01 -7.434961508e-01 4.06 -2.200741929e-01 -5.379984369e-01 -7.176962729e-01 4.08 -2.080505190e-01 -5.163517719e-01 -6.923844487e-01 4.10 -1.966558671e-01 -4.954014419e-01 -6.675181938e-01 4.12 -1.858555388e-01 -4.750694604e-01 -6.430525356e-01 4.14 -1.756071863e-01 -4.552811984e-01 -6.189425629e-01 4.16 -1.658638245e-01 -4.359676748e-01 -5.951438800e-01 4.18 -1.565750037e-01 -4.170660284e-01 -5.716140218e-01 4.20 -1.476902106e-01 -3.985219302e-01 -5.483149449e-01 4.22 -1.391599180e-01 -3.802886121e-01 -5.252115415e-01 4.24 -1.309386361e-01 -3.623311189e-01 -5.022771285e-01 4.26 -1.229856467e-01 -3.446244718e-01 -4.794929828e-01 4.28 -1.152666182e-01 -3.271551299e-01 -4.568511418e-01 4.30 -1.077550296e-01 -3.099230282e-01 -4.343586145e-01 4.32 -1.004326343e-01 -2.929405617e-01 -4.120363454e-01 4.34 -9.329002567e-02 -2.762325763e-01 -3.899213917e-01 4.36 -8.632609941e-02 -2.598359374e-01 -3.680673555e-01 4.38 -7.954832854e-02 -2.437983546e-01 -3.465444127e-01 4.40 -7.297131512e-02 -2.281761651e-01 -3.254364033e-01 4.42 -6.661559007e-02 -2.130299849e-01 -3.048355233e-01 4.44 -6.050602741e-02 -1.984237500e-01 -2.848412694e-01 4.46 -5.466973465e-02 -1.844197433e-01 -2.655532607e-01 4.48 -4.913349930e-02 -1.710737167e-01 -2.470637130e-01 4.50 -4.392199847e-02 -1.584333116e-01 -2.294550586e-01 4.52 -3.905578398e-02 -1.465342170e-01 -2.127929324e-01 4.54 -3.454960348e-02 -1.353986488e-01 -1.971241630e-01 4.56 -3.041167910e-02 -1.250332180e-01 -1.824728015e-01 4.58 -2.664316089e-02 -1.154312624e-01 -1.688423786e-01 4.60 -2.323864937e-02 -1.065725487e-01 -1.562177981e-01 4.62 -2.018650277e-02 -9.842592637e-02 -1.445646627e-01 4.64 -1.746984042e-02 -9.095026087e-02 -1.338337263e-01 4.66 -1.506770995e-02 -8.409883242e-02 -1.239661910e-01 4.68 -1.295649174e-02 -7.782083042e-02 -1.148958863e-01 4.70 -1.111151541e-02 -7.206350800e-02 -1.065526190e-01 4.72 -9.507315743e-03 -6.677432321e-02 -9.886556649e-02 4.74 -8.118753468e-03 -6.190260872e-02 -9.176601741e-02 4.76 -6.921526008e-03 -5.740070615e-02 -8.518849843e-02 4.78 -5.892774660e-03 -5.322514882e-02 -7.907246520e-02 4.80 -5.011375864e-03 -4.933694941e-02 -7.336355108e-02 4.82 -4.258079080e-03 -4.570178200e-02 -6.801411400e-02 4.84 -3.615612425e-03 -4.229009608e-02 -6.298308968e-02 4.86 -3.068594793e-03 -3.907731541e-02 -5.823634990e-02 4.88 -2.603527932e-03 -3.604368384e-02 -5.374656160e-02 4.90 -2.208552953e-03 -3.317345630e-02 -4.949203471e-02 4.92 -1.873411054e-03 -3.045508404e-02 -4.545706364e-02 4.94 -1.589226896e-03 -2.788043801e-02 -4.163079716e-02 4.96 -1.348363921e-03 -2.544423864e-02 -3.800644330e-02 4.98 -1.144276708e-03 -2.314336931e-02 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