# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuPt3 # 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 2026-08-31 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 8.806343686e+06 nan nan 0.80 8.005918525e+06 nan nan 0.82 7.283395615e+06 nan nan 0.84 6.629676010e+06 nan nan 0.86 6.036919667e+06 8.465732503e+06 nan 0.88 5.498313615e+06 7.759440101e+06 8.637134041e+06 0.90 5.007967142e+06 7.115944845e+06 7.934705858e+06 0.92 4.560726952e+06 6.528576550e+06 7.293378324e+06 0.94 4.152095581e+06 5.991440361e+06 6.706780452e+06 0.96 3.778101881e+06 5.499391521e+06 6.169291329e+06 0.98 3.435246216e+06 5.047892033e+06 5.675988200e+06 1.00 3.120458035e+06 4.632967640e+06 5.222512055e+06 1.02 2.831027248e+06 4.251092365e+06 4.805043387e+06 1.04 2.564537424e+06 3.899144414e+06 4.420176377e+06 1.06 2.318841618e+06 3.574313336e+06 4.064871713e+06 1.08 2.092042472e+06 3.274131852e+06 3.736421549e+06 1.10 1.882431422e+06 2.996369443e+06 3.432405995e+06 1.12 1.688481714e+06 2.739040423e+06 3.150654969e+06 1.14 1.508813881e+06 2.500375149e+06 2.889248675e+06 1.16 1.342200146e+06 2.278768328e+06 2.646442102e+06 1.18 1.187542548e+06 2.072784030e+06 2.420682599e+06 1.20 1.043834532e+06 1.881139585e+06 2.210558893e+06 1.22 9.101832512e+05 1.702670714e+06 2.014797693e+06 1.24 7.857740395e+05 1.536314908e+06 1.832250651e+06 1.26 6.698667987e+05 1.381108890e+06 1.661865054e+06 1.28 5.617982756e+05 1.236177718e+06 1.502686927e+06 1.30 4.609622439e+05 1.100728014e+06 1.353856564e+06 1.32 3.671827200e+05 9.740392211e+05 1.214586732e+06 1.34 2.876796766e+05 8.554418170e+05 1.084156958e+06 1.36 2.238317724e+05 7.443436380e+05 9.619183521e+05 1.38 1.742886883e+05 6.401984464e+05 8.472780316e+05 1.40 1.358226558e+05 5.425058469e+05 7.396912958e+05 1.42 1.059218445e+05 4.508121514e+05 6.386537431e+05 1.44 8.265559733e+04 3.653804209e+05 5.437062910e+05 1.46 6.453472625e+04 2.920434482e+05 4.544328309e+05 1.48 5.040894868e+04 2.319328777e+05 3.706418323e+05 1.50 3.938803431e+04 1.842873253e+05 2.980299141e+05 1.52 3.078337373e+04 1.465332970e+05 2.381938653e+05 1.54 2.406165558e+04 1.165888573e+05 1.904536962e+05 1.56 1.880852797e+04 9.281706655e+04 1.523856531e+05 1.58 1.470139468e+04 7.392849125e+04 1.219998407e+05 1.60 1.148939308e+04 5.890681128e+04 9.772282902e+04 1.62 8.976895121e+03 4.695104877e+04 7.831214362e+04 1.64 7.011265640e+03 3.743014426e+04 6.278134362e+04 1.66 5.473506052e+03 2.984416303e+04 5.034567678e+04 1.68 4.270667231e+03 2.379679125e+04 4.038281507e+04 1.70 3.329968411e+03 1.897436561e+04 3.239728691e+04 1.72 2.594445698e+03 1.512786827e+04 2.599371955e+04 1.74 2.019585306e+03 1.205923934e+04 2.085639503e+04 1.76 1.570538989e+03 9.610856781e+03 1.673376560e+04 1.78 1.219951776e+03 7.657289748e+03 1.342474354e+04 1.80 9.464219779e+02 6.098589251e+03 1.076827768e+04 1.82 7.331875139e+02 4.854972666e+03 8.635263998e+03 1.84 5.671087952e+02 3.862789334e+03 6.922326047e+03 1.86 4.378940943e+02 3.071424382e+03 5.546861075e+03 1.88 3.374717634e+02 2.440451698e+03 4.442554146e+03 1.90 2.595209874e+02 1.937541842e+03 3.556083632e+03 1.92 1.990908297e+02 1.536885137e+03 2.844660648e+03 1.94 1.523021968e+02 1.217836254e+03 2.273912474e+03 1.96 1.161255231e+02 9.639362578e+02 1.816218975e+03 1.98 8.819355786e+01 7.620345913e+02 1.449370836e+03 2.00 6.665507774e+01 6.016121604e+02 1.155502657e+03 2.02 5.006740640e+01 4.742491670e+02 9.202399635e+02 2.04 3.730768258e+01 3.732298745e+02 7.320263584e+02 2.06 2.750448150e+01 2.931889542e+02 5.815496467e+02 2.08 1.998054467e+01 2.298396502e+02 4.613116482e+02 2.10 1.421012769e+01 1.797584248e+02 3.653283006e+02 2.12 9.785601739e+00 1.402071157e+02 2.887862841e+02 2.14 6.392748039e+00 1.090089080e+02 2.278121454e+02 2.16 3.789322887e+00 8.443058962e+01 1.792881343e+02 2.18 1.788938838e+00 6.508872932e+01 1.407186666e+02 2.20 2.485909586e-01 4.988643629e+01 1.101001818e+02 2.22 -9.411094715e-01 3.795242287e+01 8.582440406e+01 2.24 -1.863569771e+00 2.859549883e+01 6.660112157e+01 2.26 -2.582174088e+00 2.126668683e+01 5.139821659e+01 2.28 -3.144924210e+00 1.553151570e+01 3.938983831e+01 2.30 -3.588046361e+00 1.104659541e+01 2.991586038e+01 2.32 -3.938785642e+00 7.540746121e+00 2.244909029e+01 2.34 -4.217557742e+00 4.800252054e+00 1.656952080e+01 2.36 -4.439629857e+00 2.657013418e+00 1.194308949e+01 2.38 -4.616405696e+00 9.791753309e-01 8.304368777e+00 2.40 -4.756389294e+00 -3.363675066e-01 5.442859266e+00 2.42 -4.865936657e+00 -1.370097578e+00 3.191958640e+00 2.44 -4.949811647e+00 -2.184660531e+00 1.419844679e+00 2.46 -5.011622481e+00 -2.828689587e+00 2.286963253e-02 2.48 -5.054124395e+00 -3.339792893e+00 -1.080216564e+00 2.50 -5.079478470e+00 -3.746965696e+00 -1.953174834e+00 2.52 -5.089432870e+00 -4.072505634e+00 -2.645902768e+00 2.54 -5.085433316e+00 -4.333509393e+00 -3.197347831e+00 2.56 -5.068714035e+00 -4.543051511e+00 -3.637781795e+00 2.58 -5.040362342e+00 -4.711110106e+00 -3.990679407e+00 2.60 -5.001363607e+00 -4.845291463e+00 -4.274205562e+00 2.62 -4.952631757e+00 -4.951395105e+00 -4.502377838e+00 2.64 -4.895029250e+00 -5.033852633e+00 -4.685987723e+00 2.66 -4.829379521e+00 -5.096066916e+00 -4.833328458e+00 2.68 -4.756474135e+00 -5.140672880e+00 -4.950768242e+00 2.70 -4.677076335e+00 -5.169736770e+00 -5.043199991e+00 2.72 -4.591910106e+00 -5.184900203e+00 -5.114383262e+00 2.74 -4.501652891e+00 -5.187488953e+00 -5.167211057e+00 2.76 -4.406980516e+00 -5.178624939e+00 -5.203958052e+00 2.78 -4.308540433e+00 -5.159274420e+00 -5.226423984e+00 2.80 -4.206948919e+00 -5.130292517e+00 -5.236056415e+00 2.82 -4.102789128e+00 -5.092455066e+00 -5.234044252e+00 2.84 -3.996597648e+00 -5.046442078e+00 -5.221379550e+00 2.86 -3.888883725e+00 -4.992849407e+00 -5.198922513e+00 2.88 -3.780127228e+00 -4.932309949e+00 -5.167440230e+00 2.90 -3.670760366e+00 -4.865435846e+00 -5.127631048e+00 2.92 -3.561079338e+00 -4.792818673e+00 -5.080144134e+00 2.94 -3.451431311e+00 -4.715031205e+00 -5.025592925e+00 2.96 -3.342157519e+00 -4.632593346e+00 -4.964564046e+00 2.98 -3.233568079e+00 -4.546001573e+00 -4.897622893e+00 3.00 -3.125943116e+00 -4.455767142e+00 -4.825316826e+00 3.02 -3.019518840e+00 -4.362381327e+00 -4.748176686e+00 3.04 -2.914501056e+00 -4.266314429e+00 -4.666717175e+00 3.06 -2.811087876e+00 -4.168014835e+00 -4.581436519e+00 3.08 -2.709453177e+00 -4.067908207e+00 -4.492815698e+00 3.10 -2.609748052e+00 -3.966396842e+00 -4.401317483e+00 3.12 -2.512102303e+00 -3.863859238e+00 -4.307385418e+00 3.14 -2.416602465e+00 -3.760649860e+00 -4.211391929e+00 3.16 -2.323299889e+00 -3.657099114e+00 -4.113639611e+00 3.18 -2.232269090e+00 -3.553513507e+00 -4.014500655e+00 3.20 -2.143569994e+00 -3.450175985e+00 -3.914328377e+00 3.22 -2.057248518e+00 -3.347346423e+00 -3.813454754e+00 3.24 -1.973337809e+00 -3.245262247e+00 -3.712190326e+00 3.26 -1.891855448e+00 -3.144139170e+00 -3.610814156e+00 3.28 -1.812786493e+00 -3.044172021e+00 -3.509526349e+00 3.30 -1.736128484e+00 -2.945535636e+00 -3.408559553e+00 3.32 -1.661875437e+00 -2.848378905e+00 -3.308138795e+00 3.34 -1.590013907e+00 -2.752759000e+00 -3.208469915e+00 3.36 -1.520523831e+00 -2.658774049e+00 -3.109740218e+00 3.38 -1.453379308e+00 -2.566529796e+00 -3.012119185e+00 3.40 -1.388549327e+00 -2.476117400e+00 -2.915759240e+00 3.42 -1.325998433e+00 -2.387614386e+00 -2.820796552e+00 3.44 -1.265687342e+00 -2.301085599e+00 -2.727351866e+00 3.46 -1.207573505e+00 -2.216575800e+00 -2.635531348e+00 3.48 -1.151611627e+00 -2.134095239e+00 -2.545427437e+00 3.50 -1.097754129e+00 -2.053673449e+00 -2.457119690e+00 3.52 -1.045951584e+00 -1.975334127e+00 -2.370675628e+00 3.54 -9.961530959e-01 -1.899092698e+00 -2.286151554e+00 3.56 -9.483066553e-01 -1.824957044e+00 -2.203593361e+00 3.58 -9.023594498e-01 -1.752928205e+00 -2.123037308e+00 3.60 -8.582581479e-01 -1.683001033e+00 -2.044510773e+00 3.62 -8.159491502e-01 -1.615164810e+00 -1.968032976e+00 3.64 -7.753788138e-01 -1.549403830e+00 -1.893615668e+00 3.66 -7.364936513e-01 -1.485697939e+00 -1.821263783e+00 3.68 -6.992405056e-01 -1.424023041e+00 -1.750976069e+00 3.70 -6.635667040e-01 -1.364351573e+00 -1.682745670e+00 3.72 -6.294201917e-01 -1.306652934e+00 -1.616560684e+00 3.74 -5.967496486e-01 -1.250893894e+00 -1.552404681e+00 3.76 -5.655045884e-01 -1.197038963e+00 -1.490257194e+00 3.78 -5.356354435e-01 -1.145050735e+00 -1.430094171e+00 3.80 -5.070936368e-01 -1.094890204e+00 -1.371888400e+00 3.82 -4.798316405e-01 -1.046517046e+00 -1.315609904e+00 3.84 -4.538030244e-01 -9.998898868e-01 -1.261211384e+00 3.86 -4.289624947e-01 -9.549665379e-01 -1.208620047e+00 3.88 -4.052659227e-01 -9.117042141e-01 -1.157799613e+00 3.90 -3.826703672e-01 -8.700597295e-01 -1.108714443e+00 3.92 -3.611340886e-01 -8.299896737e-01 -1.061327682e+00 3.94 -3.406165574e-01 -7.914505713e-01 -1.015601485e+00 3.96 -3.210784566e-01 -7.543990235e-01 -9.714972288e-01 3.98 -3.024816801e-01 -7.187918350e-01 -9.289757087e-01 4.00 -2.847893255e-01 -6.845861268e-01 -8.879881437e-01 4.02 -2.679656845e-01 -6.517394354e-01 -8.484839635e-01 4.04 -2.519762290e-01 -6.202098002e-01 -8.104238595e-01 4.06 -2.367875953e-01 -5.899558396e-01 -7.737685655e-01 4.08 -2.223675647e-01 -5.609368174e-01 -7.384789446e-01 4.10 -2.086850436e-01 -5.331126990e-01 -7.045160900e-01 4.12 -1.957100403e-01 -5.064442005e-01 -6.718414143e-01 4.14 -1.834136418e-01 -4.808928285e-01 -6.404167292e-01 4.16 -1.717679884e-01 -4.564209140e-01 -6.102043152e-01 4.18 -1.607462477e-01 -4.329916393e-01 -5.811669828e-01 4.20 -1.503225887e-01 -4.105690596e-01 -5.532681253e-01 4.22 -1.404721536e-01 -3.891181192e-01 -5.264717644e-01 4.24 -1.311710315e-01 -3.686046627e-01 -5.007425894e-01 4.26 -1.223962299e-01 -3.489954423e-01 -4.760459898e-01 4.28 -1.141256474e-01 -3.302581217e-01 -4.523480821e-01 4.30 -1.063380461e-01 -3.123612761e-01 -4.296157322e-01 4.32 -9.901302430e-02 -2.952743888e-01 -4.078165727e-01 4.34 -9.213098795e-02 -2.789678468e-01 -3.869190158e-01 4.36 -8.567312469e-02 -2.634129322e-01 -3.668922627e-01 4.38 -7.962137743e-02 -2.485818127e-01 -3.477063099e-01 4.40 -7.395841825e-02 -2.344475300e-01 -3.293319518e-01 4.42 -6.866697843e-02 -2.209839867e-01 -3.117407807e-01 4.44 -6.368968215e-02 -2.081659319e-01 -2.949051849e-01 4.46 -5.898884637e-02 -1.959689455e-01 -2.787983439e-01 4.48 -5.455322203e-02 -1.843694220e-01 -2.633942222e-01 4.50 -5.037196484e-02 -1.733445530e-01 -2.486675611e-01 4.52 -4.643462621e-02 -1.628723093e-01 -2.345938688e-01 4.54 -4.273114868e-02 -1.529314228e-01 -2.211494104e-01 4.56 -3.925185814e-02 -1.435013675e-01 -2.083111950e-01 4.58 -3.598745495e-02 -1.345623405e-01 -1.960569631e-01 4.60 -3.292900412e-02 -1.260952428e-01 -1.843651732e-01 4.62 -3.006792496e-02 -1.180816599e-01 -1.732149866e-01 4.64 -2.739593287e-02 -1.105038428e-01 -1.625862531e-01 4.66 -2.490462364e-02 -1.033446883e-01 -1.524594955e-01 4.68 -2.258651790e-02 -9.658772015e-02 -1.428158931e-01 4.70 -2.043457816e-02 -9.020579717e-02 -1.336372667e-01 4.72 -1.844199917e-02 -8.415613588e-02 -1.249060615e-01 4.74 -1.660221025e-02 -7.842452287e-02 -1.166053313e-01 4.76 -1.490887568e-02 -7.299862451e-02 -1.087187219e-01 4.78 -1.335589328e-02 -6.786656102e-02 -1.012304545e-01 4.80 -1.193739165e-02 -6.301689189e-02 -9.412530996e-02 4.82 -1.064772626e-02 -5.843860154e-02 -8.738861244e-02 4.84 -9.481438885e-03 -5.412108527e-02 -8.100621251e-02 4.86 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