# 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 = AgCu3 # 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 2.780620559e+02 nan nan 1.02 2.538800710e+02 nan nan 1.04 2.318634630e+02 nan nan 1.06 2.118051722e+02 nan nan 1.08 1.935226162e+02 nan nan 1.10 1.768499224e+02 2.668207311e+02 nan 1.12 1.616354228e+02 2.454104742e+02 2.798319136e+02 1.14 1.477406558e+02 2.257704034e+02 2.579494250e+02 1.16 1.350410016e+02 2.077479115e+02 2.378396643e+02 1.18 1.234273680e+02 1.911999960e+02 2.193440102e+02 1.20 1.128039343e+02 1.759938914e+02 2.023222266e+02 1.22 1.030828114e+02 1.620095209e+02 1.866498336e+02 1.24 9.418188281e+01 1.491405322e+02 1.722127295e+02 1.26 8.602635753e+01 1.372933551e+02 1.589052116e+02 1.28 7.854949392e+01 1.263841268e+02 1.466311982e+02 1.30 7.169099969e+01 1.163347727e+02 1.353043984e+02 1.32 6.539568221e+01 1.070716461e+02 1.248467749e+02 1.34 5.961376773e+01 9.852726638e+01 1.151872836e+02 1.36 5.430164953e+01 9.064186782e+01 1.062610473e+02 1.38 4.942162982e+01 8.336280440e+01 9.800864863e+01 1.40 4.494053550e+01 7.664299729e+01 9.037559741e+01 1.42 4.082798480e+01 7.043961263e+01 8.331214141e+01 1.44 3.705500978e+01 6.471293038e+01 7.677338881e+01 1.46 3.359348467e+01 5.942533026e+01 7.071910481e+01 1.48 3.041648247e+01 5.454084673e+01 6.511272856e+01 1.50 2.749909264e+01 5.002565685e+01 5.992037604e+01 1.52 2.481898590e+01 4.584895628e+01 5.511059793e+01 1.54 2.235636932e+01 4.198338396e+01 5.065467642e+01 1.56 2.009348415e+01 3.840458014e+01 4.652665997e+01 1.58 1.801397681e+01 3.509048990e+01 4.270300817e+01 1.60 1.610250983e+01 3.202110237e+01 3.916210287e+01 1.62 1.434511918e+01 2.917860327e+01 3.588382570e+01 1.64 1.272963398e+01 2.654737943e+01 3.284907437e+01 1.66 1.124401915e+01 2.411359664e+01 3.003928094e+01 1.68 9.877730182e+00 2.186450581e+01 2.743621314e+01 1.70 8.621786468e+00 1.978780878e+01 2.502234029e+01 1.72 7.468541992e+00 1.787127096e+01 2.278163286e+01 1.74 6.411325785e+00 1.610264503e+01 2.070018624e+01 1.76 5.444084355e+00 1.447008811e+01 1.876626282e+01 1.78 4.561111696e+00 1.296322264e+01 1.696981984e+01 1.80 3.756866740e+00 1.157156878e+01 1.530192669e+01 1.82 3.025875912e+00 1.028573105e+01 1.375498579e+01 1.84 2.362669747e+00 9.097561223e+00 1.232193413e+01 1.86 1.761778963e+00 7.999951916e+00 1.099558652e+01 1.88 1.217786131e+00 6.986538677e+00 9.769326813e+00 1.90 7.254288146e-01 6.051435979e+00 8.636993459e+00 1.92 2.797272691e-01 5.189083681e+00 7.592724704e+00 1.94 -1.239090900e-01 4.394219922e+00 6.630783195e+00 1.96 -4.896253789e-01 3.661921107e+00 5.745423296e+00 1.98 -8.210972652e-01 2.987677444e+00 4.930844469e+00 2.00 -1.121536149e+00 2.367430823e+00 4.181284187e+00 2.02 -1.393702040e+00 1.797557305e+00 3.491213422e+00 2.04 -1.639927964e+00 1.274795324e+00 2.855565588e+00 2.06 -1.862171148e+00 7.961555914e-01 2.269886961e+00 2.08 -2.062091387e+00 3.588380587e-01 1.730353498e+00 2.10 -2.241142563e+00 -3.982633123e-02 1.233684731e+00 2.12 -2.400658909e+00 -4.024057427e-01 7.770008209e-01 2.14 -2.541921544e+00 -7.313769915e-01 3.576835802e-01 2.16 -2.666203863e+00 -1.029125012e+00 -2.673608423e-02 2.18 -2.774786304e+00 -1.297949499e+00 -3.786639830e-01 2.20 -2.868950016e+00 -1.540059709e+00 -7.004719682e-01 2.22 -2.949946574e+00 -1.757586949e+00 -9.945003174e-01 2.24 -3.018957831e+00 -1.952588426e+00 -1.263006627e+00 2.26 -3.077099857e+00 -2.127053790e+00 -1.508089538e+00 2.28 -3.126126942e+00 -2.282912542e+00 -1.731615600e+00 2.30 -3.166383956e+00 -2.422035299e+00 -1.935179472e+00 2.32 -3.197765604e+00 -2.546220595e+00 -2.120111967e+00 2.34 -3.220388388e+00 -2.657146633e+00 -2.287524695e+00 2.36 -3.234591928e+00 -2.756312249e+00 -2.438374158e+00 2.38 -3.240915461e+00 -2.844979060e+00 -2.573522257e+00 2.40 -3.240047633e+00 -2.924147304e+00 -2.693783813e+00 2.42 -3.232862519e+00 -2.994575280e+00 -2.799959682e+00 2.44 -3.220329100e+00 -3.056832392e+00 -2.892859878e+00 2.46 -3.203088853e+00 -3.111437590e+00 -2.973320533e+00 2.48 -3.181677510e+00 -3.159244745e+00 -3.042228413e+00 2.50 -3.156537475e+00 -3.200459666e+00 -3.100524442e+00 2.52 -3.128027741e+00 -3.234752091e+00 -3.149219720e+00 2.54 -3.096437745e+00 -3.261953406e+00 -3.189572659e+00 2.56 -3.062002117e+00 -3.282026701e+00 -3.223233024e+00 2.58 -3.024920094e+00 -3.295047236e+00 -3.250633090e+00 2.60 -2.985357430e+00 -3.301188537e+00 -3.272138551e+00 2.62 -2.943452795e+00 -3.300713030e+00 -3.288130759e+00 2.64 -2.899329022e+00 -3.294096516e+00 -3.298950982e+00 2.66 -2.853103787e+00 -3.281794748e+00 -3.304871987e+00 2.68 -2.804899550e+00 -3.264262071e+00 -3.306091697e+00 2.70 -2.754852392e+00 -3.242003387e+00 -3.302823248e+00 2.72 -2.703119015e+00 -3.215555530e+00 -3.295262007e+00 2.74 -2.649880871e+00 -3.185461309e+00 -3.283480876e+00 2.76 -2.595344369e+00 -3.152238468e+00 -3.267572990e+00 2.78 -2.539736922e+00 -3.116349611e+00 -3.247662586e+00 2.80 -2.483298738e+00 -3.078181898e+00 -3.223909917e+00 2.82 -2.426272724e+00 -3.038044551e+00 -3.196512169e+00 2.84 -2.368892491e+00 -2.996165952e+00 -3.165701230e+00 2.86 -2.311379696e+00 -2.952710420e+00 -3.131739122e+00 2.88 -2.253928220e+00 -2.907799587e+00 -3.094914663e+00 2.90 -2.196708039e+00 -2.861533839e+00 -3.055528643e+00 2.92 -2.139862767e+00 -2.814009839e+00 -3.013884225e+00 2.94 -2.083510505e+00 -2.765332636e+00 -2.970266285e+00 2.96 -2.027746442e+00 -2.715622439e+00 -2.924938963e+00 2.98 -1.972646245e+00 -2.665016958e+00 -2.878138961e+00 3.00 -1.918270091e+00 -2.613670422e+00 -2.830075575e+00 3.02 -1.864666787e+00 -2.561750237e+00 -2.780935203e+00 3.04 -1.811877374e+00 -2.509431923e+00 -2.730888872e+00 3.06 -1.759937755e+00 -2.456892828e+00 -2.680100748e+00 3.08 -1.708880149e+00 -2.404305069e+00 -2.628735525e+00 3.10 -1.658733422e+00 -2.351828327e+00 -2.576962861e+00 3.12 -1.609522567e+00 -2.299603340e+00 -2.524957581e+00 3.14 -1.561267689e+00 -2.247746911e+00 -2.472895257e+00 3.16 -1.513982824e+00 -2.196349112e+00 -2.420943864e+00 3.18 -1.467674865e+00 -2.145472899e+00 -2.369253294e+00 3.20 -1.422342761e+00 -2.095155974e+00 -2.317945261e+00 3.22 -1.377977089e+00 -2.045414362e+00 -2.267106090e+00 3.24 -1.334559427e+00 -1.996246420e+00 -2.216783206e+00 3.26 -1.292065091e+00 -1.947640741e+00 -2.166991485e+00 3.28 -1.250459935e+00 -1.899576865e+00 -2.117713942e+00 3.30 -1.209703968e+00 -1.852033085e+00 -2.068915568e+00 3.32 -1.169751733e+00 -1.804989603e+00 -2.020552534e+00 3.34 -1.130553601e+00 -1.758431606e+00 -1.972581781e+00 3.36 -1.092057231e+00 -1.712351315e+00 -1.924968749e+00 3.38 -1.054209239e+00 -1.666746748e+00 -1.877692696e+00 3.40 -1.016957105e+00 -1.621630821e+00 -1.830749553e+00 3.42 -9.802514169e-01 -1.577015804e+00 -1.784152584e+00 3.44 -9.440484824e-01 -1.532921963e+00 -1.737931309e+00 3.46 -9.083132612e-01 -1.489372727e+00 -1.692129189e+00 3.48 -8.730231538e-01 -1.446392458e+00 -1.646800522e+00 3.50 -8.381708418e-01 -1.404004339e+00 -1.602006947e+00 3.52 -8.037680393e-01 -1.362228548e+00 -1.557813808e+00 3.54 -7.698478679e-01 -1.321080863e+00 -1.514286627e+00 3.56 -7.364659065e-01 -1.280571800e+00 -1.471487847e+00 3.58 -7.036991156e-01 -1.240706297e+00 -1.429474025e+00 3.60 -6.716410692e-01 -1.201483984e+00 -1.388293631e+00 3.62 -6.404001051e-01 -1.162900006e+00 -1.347985559e+00 3.64 -6.100835330e-01 -1.124946397e+00 -1.308578414e+00 3.66 -5.807928992e-01 -1.087613938e+00 -1.270090517e+00 3.68 -5.526130903e-01 -1.050894436e+00 -1.232530515e+00 3.70 -5.256045578e-01 -1.014783285e+00 -1.195898429e+00 3.72 -4.997985106e-01 -9.792821093e-01 -1.160186934e+00 3.74 -4.751948375e-01 -9.444012218e-01 -1.125380426e+00 3.76 -4.517678405e-01 -9.101615301e-01 -1.091465937e+00 3.78 -4.294657365e-01 -8.765955167e-01 -1.058419129e+00 3.80 -4.082213684e-01 -8.437469292e-01 -1.026215951e+00 3.82 -3.879586941e-01 -8.116689489e-01 -9.948305781e-01 3.84 -3.686000717e-01 -7.804208194e-01 -9.642359947e-01 3.86 -3.500725866e-01 -7.500631946e-01 -9.344043975e-01 3.88 -3.323129505e-01 -7.206527443e-01 -9.053074361e-01 3.90 -3.152707020e-01 -6.922367399e-01 -8.769163143e-01 3.92 -2.989096131e-01 -6.648483859e-01 -8.492017728e-01 3.94 -2.832073397e-01 -6.385035233e-01 -8.221339811e-01 3.96 -2.681534961e-01 -6.131976515e-01 -7.956823629e-01 3.98 -2.537464787e-01 -5.889120375e-01 -7.698153857e-01 4.00 -2.399894923e-01 -5.656061213e-01 -7.445003434e-01 4.02 -2.268863290e-01 -5.432268281e-01 -7.197031606e-01 4.04 -2.144374605e-01 -5.217101862e-01 -6.953882509e-01 4.06 -2.026369257e-01 -5.009848010e-01 -6.715184571e-01 4.08 -1.914703367e-01 -4.809751207e-01 -6.480551056e-01 4.10 -1.809141175e-01 -4.616043045e-01 -6.249582066e-01 4.12 -1.709358945e-01 -4.427966283e-01 -6.021868320e-01 4.14 -1.614958064e-01 -4.244794573e-01 -5.796997077e-01 4.16 -1.525484290e-01 -4.065848723e-01 -5.574560512e-01 4.18 -1.440450055e-01 -3.890510563e-01 -5.354166847e-01 4.20 -1.359357245e-01 -3.718235412e-01 -5.135454426e-01 4.22 -1.281718592e-01 -3.548563905e-01 -4.918108743e-01 4.24 -1.207076649e-01 -3.381133524e-01 -4.701882138e-01 4.26 -1.135019881e-01 -3.215689756e-01 -4.486615502e-01 4.28 -1.065193576e-01 -3.052096323e-01 -4.272260793e-01 4.30 -9.973141924e-02 -2.890343492e-01 -4.058902615e-01 4.32 -9.311770249e-02 -2.730553126e-01 -3.846776529e-01 4.34 -8.666561859e-02 -2.572978960e-01 -3.636281337e-01 4.36 -8.037061586e-02 -2.418000597e-01 -3.427982457e-01 4.38 -7.423592765e-02 -2.266110018e-01 -3.222603779e-01 4.40 -6.827189681e-02 -2.117890035e-01 -3.021006312e-01 4.42 -6.249487834e-02 -1.973985022e-01 -2.824153316e-01 4.44 -5.692575640e-02 -1.835065310e-01 -2.633063486e-01 4.46 -5.158815712e-02 -1.701787787e-01 -2.448755665e-01 4.48 -4.650648508e-02 -1.574756036e-01 -2.272190191e-01 4.50 -4.170394628e-02 -1.454483784e-01 -2.104212856e-01 4.52 -3.720073334e-02 -1.341365181e-01 -1.945507334e-01 4.54 -3.301253481e-02 -1.235654632e-01 -1.796560793e-01 4.56 -2.914948931e-02 -1.137457619e-01 -1.657645501e-01 4.58 -2.561564439e-02 -1.046732490e-01 -1.528809866e-01 4.60 -2.240892271e-02 -9.633019190e-02 -1.409921059e-01 4.62 -1.952153056e-02 -8.868717317e-02 -1.300643643e-01 4.64 -1.694069989e-02 -8.170543854e-02 -1.200504467e-01 4.66 -1.464928361e-02 -7.533943528e-02 -1.108920535e-01 4.68 -1.262768553e-02 -6.953930981e-02 -1.025235450e-01 4.70 -1.085461848e-02 -6.425319168e-02 -9.487532385e-02 4.72 -9.307739284e-03 -5.942912454e-02 -8.787677697e-02 4.74 -7.964530000e-03 -5.501643648e-02 -8.145869493e-02 4.76 -6.802997721e-03 -5.096749104e-02 -7.555515126e-02 4.78 -5.802193144e-03 -4.723850812e-02 -7.010474452e-02 4.80 -4.942563267e-03 -4.378975433e-02 -6.505168842e-02 4.82 -4.206162280e-03 -4.058590200e-02 -6.034666443e-02 4.84 -3.576748064e-03 -3.759620441e-02 -5.594666019e-02 4.86 -3.039791390e-03 -3.479449596e-02 -5.181504225e-02 4.88 -2.582422306e-03 -3.215905746e-02 -4.792142903e-02 4.90 -2.193334433e-03 -2.967237488e-02 -4.424139363e-02 4.92 -1.862663804e-03 -2.732081087e-02 -4.075602663e-02 4.94 -1.581854981e-03 -2.509420264e-02 -3.745138008e-02 4.96 -1.343523765e-03 -2.298539807e-02 -3.431781162e-02 4.98 -1.141322933e-03 -2.098974257e-02 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