# 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 = Au3Cu # 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 5.667701937e+02 nan nan 1.02 5.200987104e+02 nan nan 1.04 4.775268418e+02 nan nan 1.06 4.386538903e+02 nan nan 1.08 4.031254935e+02 nan nan 1.10 3.706270435e+02 5.454441807e+02 nan 1.12 3.408764435e+02 5.041109285e+02 5.705418970e+02 1.14 3.136185563e+02 4.661120567e+02 5.283286891e+02 1.16 2.886224940e+02 4.311517029e+02 4.894497391e+02 1.18 2.656802439e+02 3.989640899e+02 4.536118761e+02 1.20 2.446057939e+02 3.693074820e+02 4.205516152e+02 1.22 2.252340141e+02 3.419601749e+02 3.900321329e+02 1.24 2.074181126e+02 3.167200065e+02 3.618408450e+02 1.26 1.910258823e+02 2.934053620e+02 3.357858623e+02 1.28 1.759362409e+02 2.718550622e+02 3.116915154e+02 1.30 1.620373673e+02 2.519261756e+02 2.893953982e+02 1.32 1.492264783e+02 2.334902401e+02 2.687479046e+02 1.34 1.374103228e+02 2.164293396e+02 2.496127068e+02 1.36 1.265051339e+02 2.006336762e+02 2.318665641e+02 1.38 1.164357209e+02 1.860010858e+02 2.153982004e+02 1.40 1.071342409e+02 1.724373447e+02 2.001068405e+02 1.42 9.853915394e+01 1.598563615e+02 1.859010077e+02 1.44 9.059444800e+01 1.481800984e+02 1.726978043e+02 1.46 8.324894890e+01 1.373382625e+02 1.604222414e+02 1.48 7.645549202e+01 1.272675872e+02 1.490061871e+02 1.50 7.017011338e+01 1.179106581e+02 1.383869527e+02 1.52 6.435165560e+01 1.092146783e+02 1.285061153e+02 1.54 5.896182610e+01 1.011304421e+02 1.193089108e+02 1.56 5.396546410e+01 9.361180947e+01 1.107442338e+02 1.58 4.933073091e+01 8.661556590e+01 1.027648240e+02 1.60 4.502916982e+01 8.010159294e+01 9.532733084e+01 1.62 4.103556888e+01 7.403312974e+01 8.839209958e+01 1.64 3.732758722e+01 6.837688586e+01 8.192289700e+01 1.66 3.388510571e+01 6.310286321e+01 7.588667047e+01 1.68 3.068952143e+01 5.818399636e+01 7.025329511e+01 1.70 2.772322064e+01 5.359574610e+01 6.499515723e+01 1.72 2.496940210e+01 4.931574989e+01 6.008661451e+01 1.74 2.241218092e+01 4.532352111e+01 5.550356786e+01 1.76 2.003678686e+01 4.160014070e+01 5.122326724e+01 1.78 1.783003584e+01 3.812790549e+01 4.722431489e+01 1.80 1.579680720e+01 3.488999177e+01 4.348673181e+01 1.82 1.393325364e+01 3.187022150e+01 3.999202147e+01 1.84 1.222606469e+01 2.905305646e+01 3.672318735e+01 1.86 1.066284389e+01 2.642374358e+01 3.366473521e+01 1.88 9.232070556e+00 2.396850516e+01 3.080259102e+01 1.90 7.923127013e+00 2.167466864e+01 2.812394128e+01 1.92 6.726327557e+00 1.953069716e+01 2.561699203e+01 1.94 5.632888152e+00 1.752692838e+01 2.327075869e+01 1.96 4.634805622e+00 1.566680304e+01 2.107491257e+01 1.98 3.724737568e+00 1.394905636e+01 1.901971497e+01 2.00 2.895893752e+00 1.236388021e+01 1.709682177e+01 2.02 2.141984160e+00 1.090179600e+01 1.531268356e+01 2.04 1.457196529e+00 9.553959586e+00 1.366316304e+01 2.06 8.361767620e-01 8.312102918e+00 1.213861489e+01 2.08 2.739944646e-01 7.168508200e+00 1.073003973e+01 2.10 -2.339087404e-01 6.115991805e+00 9.429064294e+00 2.12 -6.917767376e-01 5.147888427e+00 8.227934676e+00 2.14 -1.103595758e+00 4.258030241e+00 7.119496182e+00 2.16 -1.473130622e+00 3.440719343e+00 6.097157198e+00 2.18 -1.803935656e+00 2.690693255e+00 5.154835495e+00 2.20 -2.099347246e+00 2.003090634e+00 4.286894025e+00 2.22 -2.362461160e+00 1.373416758e+00 3.488081249e+00 2.24 -2.596111924e+00 7.975144142e-01 2.753485823e+00 2.26 -2.802863468e+00 2.715382349e-01 2.078512193e+00 2.28 -2.985014588e+00 -2.080697441e-01 1.458873147e+00 2.30 -3.144616827e+00 -6.446058141e-01 8.905888112e-01 2.32 -3.283502319e+00 -1.041130319e+00 3.699825101e-01 2.34 -3.403312125e+00 -1.400495603e+00 -1.063339304e-01 2.36 -3.505528432e+00 -1.725366246e+00 -5.414810740e-01 2.38 -3.591502540e+00 -2.018234912e+00 -9.383374983e-01 2.40 -3.662483654e+00 -2.281432240e+00 -1.299565151e+00 2.42 -3.719637149e+00 -2.517134456e+00 -1.627632851e+00 2.44 -3.764071665e+00 -2.727371958e+00 -1.924837907e+00 2.46 -3.797001678e+00 -2.914040269e+00 -2.193324854e+00 2.48 -3.819558534e+00 -3.078912813e+00 -2.435111604e+00 2.50 -3.832632454e+00 -3.223654118e+00 -2.652095701e+00 2.52 -3.836701626e+00 -3.349831179e+00 -2.846075854e+00 2.54 -3.832194343e+00 -3.458930321e+00 -3.018758294e+00 2.56 -3.819603701e+00 -3.552359539e+00 -3.171759421e+00 2.58 -3.799466030e+00 -3.631461460e+00 -3.306603220e+00 2.60 -3.772344208e+00 -3.697522063e+00 -3.424715211e+00 2.62 -3.738800384e+00 -3.751758065e+00 -3.527415492e+00 2.64 -3.699437754e+00 -3.795314866e+00 -3.615913381e+00 2.66 -3.654917808e+00 -3.829295274e+00 -3.691308310e+00 2.68 -3.605915952e+00 -3.854791112e+00 -3.754592136e+00 2.70 -3.553100199e+00 -3.872654897e+00 -3.806660866e+00 2.72 -3.497109183e+00 -3.883645762e+00 -3.848328041e+00 2.74 -3.438530416e+00 -3.887990102e+00 -3.880348095e+00 2.76 -3.377882795e+00 -3.885909332e+00 -3.903639218e+00 2.78 -3.315613431e+00 -3.877652726e+00 -3.918792002e+00 2.80 -3.252089282e+00 -3.863485638e+00 -3.926438321e+00 2.82 -3.187608152e+00 -3.843682686e+00 -3.926885543e+00 2.84 -3.122404607e+00 -3.818508323e+00 -3.920437751e+00 2.86 -3.056664968e+00 -3.788232168e+00 -3.907487695e+00 2.88 -2.990530404e+00 -3.753148972e+00 -3.888500794e+00 2.90 -2.924111647e+00 -3.713562816e+00 -3.863990110e+00 2.92 -2.857503123e+00 -3.669784704e+00 -3.834486949e+00 2.94 -2.790782447e+00 -3.622136390e+00 -3.800495492e+00 2.96 -2.724023984e+00 -3.570953904e+00 -3.762518730e+00 2.98 -2.657302327e+00 -3.516590317e+00 -3.721025866e+00 3.00 -2.590695666e+00 -3.459416987e+00 -3.676427955e+00 3.02 -2.524287398e+00 -3.399822223e+00 -3.629079446e+00 3.04 -2.458166199e+00 -3.338206366e+00 -3.579286246e+00 3.06 -2.392424901e+00 -3.274972796e+00 -3.527316515e+00 3.08 -2.327158593e+00 -3.210515431e+00 -3.473411311e+00 3.10 -2.262462401e+00 -3.145204470e+00 -3.417793133e+00 3.12 -2.198429295e+00 -3.079372944e+00 -3.360671450e+00 3.14 -2.135148228e+00 -3.013306669e+00 -3.302245104e+00 3.16 -2.072702727e+00 -2.947239269e+00 -3.242702106e+00 3.18 -2.011169938e+00 -2.881352633e+00 -3.182217751e+00 3.20 -1.950620074e+00 -2.815781879e+00 -3.120952168e+00 3.22 -1.891116118e+00 -2.750623192e+00 -3.059048356e+00 3.24 -1.832712276e+00 -2.685941280e+00 -2.996629401e+00 3.26 -1.775459867e+00 -2.621784633e+00 -2.933808113e+00 3.28 -1.719397830e+00 -2.558182949e+00 -2.870675562e+00 3.30 -1.664559446e+00 -2.495160674e+00 -2.807314372e+00 3.32 -1.610970588e+00 -2.432739791e+00 -2.743800148e+00 3.34 -1.558649866e+00 -2.370943145e+00 -2.680205568e+00 3.36 -1.507608870e+00 -2.309796514e+00 -2.616604136e+00 3.38 -1.457852525e+00 -2.249324245e+00 -2.553073313e+00 3.40 -1.409379541e+00 -2.189571929e+00 -2.489696929e+00 3.42 -1.362182936e+00 -2.130570089e+00 -2.426566767e+00 3.44 -1.316250597e+00 -2.072358365e+00 -2.363783285e+00 3.46 -1.271561512e+00 -2.014977352e+00 -2.301455353e+00 3.48 -1.228104489e+00 -1.958467082e+00 -2.239698931e+00 3.50 -1.185849782e+00 -1.902865537e+00 -2.178634580e+00 3.52 -1.144769858e+00 -1.848207332e+00 -2.118383867e+00 3.54 -1.104834206e+00 -1.794522661e+00 -2.059064885e+00 3.56 -1.066009514e+00 -1.741836542e+00 -2.000787364e+00 3.58 -1.028259769e+00 -1.690168397e+00 -1.943647974e+00 3.60 -9.915453296e-01 -1.639531951e+00 -1.887726498e+00 3.62 -9.558270681e-01 -1.589935438e+00 -1.833083386e+00 3.64 -9.210599305e-01 -1.541382084e+00 -1.779758944e+00 3.66 -8.871976463e-01 -1.493870832e+00 -1.727774093e+00 3.68 -8.541917319e-01 -1.447397270e+00 -1.677132396e+00 3.70 -8.219918738e-01 -1.401954712e+00 -1.627822868e+00 3.72 -7.905465112e-01 -1.357535345e+00 -1.579823123e+00 3.74 -7.598036474e-01 -1.314131358e+00 -1.533096482e+00 3.76 -7.297120302e-01 -1.271735932e+00 -1.487619760e+00 3.78 -7.002224618e-01 -1.230343942e+00 -1.443346097e+00 3.80 -6.712896042e-01 -1.189952262e+00 -1.400234605e+00 3.82 -6.428739615e-01 -1.150559567e+00 -1.358244378e+00 3.84 -6.149440722e-01 -1.112165609e+00 -1.317335515e+00 3.86 -5.874787480e-01 -1.074770047e+00 -1.277469831e+00 3.88 -5.604691541e-01 -1.038370963e+00 -1.238611307e+00 3.90 -5.339204800e-01 -1.002963319e+00 -1.200726331e+00 3.92 -5.078529223e-01 -9.685375797e-01 -1.163783750e+00 3.94 -4.823017307e-01 -9.350787293e-01 -1.127754764e+00 3.96 -4.573161308e-01 -9.025621866e-01 -1.092612695e+00 3.98 -4.329570663e-01 -8.709690199e-01 -1.058332649e+00 4.00 -4.092938421e-01 -8.402627114e-01 -1.024891121e+00 4.02 -3.863999029e-01 -8.104068545e-01 -9.922655545e-01 4.04 -3.643480932e-01 -7.813619227e-01 -9.604339179e-01 4.06 -3.432058183e-01 -7.530865959e-01 -9.293743121e-01 4.08 -3.230305338e-01 -7.255391132e-01 -8.990646512e-01 4.10 -3.038659565e-01 -6.986785998e-01 -8.694824360e-01 4.12 -2.857393130e-01 -6.724663396e-01 -8.406046417e-01 4.14 -2.686598354e-01 -6.468669845e-01 -8.124077324e-01 4.16 -2.526185839e-01 -6.218496898e-01 -7.848678134e-01 4.18 -2.375895416e-01 -5.973891535e-01 -7.579609234e-01 4.20 -2.235317967e-01 -5.734665163e-01 -7.316634676e-01 4.22 -2.103925300e-01 -5.500700600e-01 -7.059527818e-01 4.24 -1.981104724e-01 -5.271956243e-01 -6.808078113e-01 4.26 -1.866194947e-01 -5.048466624e-01 -6.562098723e-01 4.28 -1.758520342e-01 -4.830338700e-01 -6.321434510e-01 4.30 -1.657421285e-01 -4.617743548e-01 -6.085969730e-01 4.32 -1.562279090e-01 -4.410903639e-01 -5.855634612e-01 4.34 -1.472534720e-01 -4.210076362e-01 -5.630409855e-01 4.36 -1.387701051e-01 -4.015534971e-01 -5.410328038e-01 4.38 -1.307368849e-01 -3.827548395e-01 -5.195471070e-01 4.40 -1.231206913e-01 -3.646361443e-01 -4.985963102e-01 4.42 -1.158957046e-01 -3.472176794e-01 -4.781958820e-01 4.44 -1.090424727e-01 -3.305139840e-01 -4.583627675e-01 4.46 -1.025466577e-01 -3.145327154e-01 -4.391135251e-01 4.48 -9.639758638e-02 -2.992738962e-01 -4.204623534e-01 4.50 -9.058674495e-02 -2.847295782e-01 -4.024192136e-01 4.52 -8.510635522e-02 -2.708839134e-01 -3.849882481e-01 4.54 -7.994815422e-02 -2.577136029e-01 -3.681666593e-01 4.56 -7.510246824e-02 -2.451886755e-01 -3.519441488e-01 4.58 -7.055763006e-02 -2.332735297e-01 -3.363011108e-01 4.60 -6.629974344e-02 -2.219281602e-01 -3.212168027e-01 4.62 -6.231275895e-02 -2.111094849e-01 -3.066584300e-01 4.64 -5.857879740e-02 -2.007726921e-01 -2.925907721e-01 4.66 -5.507864169e-02 -1.908725420e-01 -2.789754906e-01 4.68 -5.179232023e-02 -1.813645720e-01 -2.657726921e-01 4.70 -4.869971382e-02 -1.722061802e-01 -2.529424734e-01 4.72 -4.578111243e-02 -1.633575727e-01 -2.404463901e-01 4.74 -4.301761866e-02 -1.547825816e-01 -2.282488133e-01 4.76 -4.039196771e-02 -1.464493583e-01 -2.163181585e-01 4.78 -3.788860388e-02 -1.383309552e-01 -2.046279751e-01 4.80 -3.549389321e-02 -1.304057975e-01 -1.931578846e-01 4.82 -3.319632311e-02 -1.226580412e-01 -1.818943482e-01 4.84 -3.098661333e-02 -1.150778021e-01 -1.708312312e-01 4.86 -2.885774486e-02 -1.076612295e-01 -1.599701218e-01 4.88 -2.680491076e-02 -1.004103949e-01 -1.493203546e-01 4.90 -2.482539097e-02 -9.333296358e-02 -1.388986899e-01 4.92 -2.291835314e-02 -8.644162522e-02 -1.287286134e-01 4.94 -2.108458356e-02 -7.975327486e-02 -1.188392428e-01 4.96 -1.932615646e-02 -7.328795924e-02 -1.092638632e-01 4.98 -1.764592268e-02 -6.706762958e-02 -1.000381558e-01 5.00 -1.604721637e-02 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