# 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 = AgAu3 # 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 5.921675158e+06 nan nan 0.80 5.363292119e+06 nan nan 0.82 4.858622300e+06 nan nan 0.84 4.401452087e+06 nan nan 0.86 3.986391505e+06 5.685158747e+06 nan 0.88 3.608721202e+06 5.192202949e+06 5.803795762e+06 0.90 3.264372362e+06 4.742582688e+06 5.313655032e+06 0.92 2.949803608e+06 4.331700576e+06 4.865694282e+06 0.94 2.661932780e+06 3.955504391e+06 4.455538768e+06 0.96 2.398014235e+06 3.610490449e+06 4.079278721e+06 0.98 2.155646732e+06 3.293482622e+06 3.733537643e+06 1.00 1.932718321e+06 3.001711066e+06 3.415295277e+06 1.02 1.727359142e+06 2.732747829e+06 3.121909381e+06 1.04 1.537893495e+06 2.484481653e+06 2.851017493e+06 1.06 1.362856601e+06 2.255005780e+06 2.600581429e+06 1.08 1.200932202e+06 2.042622729e+06 2.368763145e+06 1.10 1.050941759e+06 1.845747564e+06 2.153873980e+06 1.12 9.118426083e+05 1.663032067e+06 1.954394536e+06 1.14 7.826901980e+05 1.493262404e+06 1.768999128e+06 1.16 6.626270256e+05 1.335316532e+06 1.596467370e+06 1.18 5.508873756e+05 1.188210584e+06 1.435751972e+06 1.20 4.467849178e+05 1.051060795e+06 1.285880884e+06 1.22 3.533039153e+05 9.230430235e+05 1.145985014e+06 1.24 2.772677670e+05 8.034491401e+05 1.015277939e+06 1.26 2.179649015e+05 6.916385045e+05 8.930303817e+05 1.28 1.716483402e+05 5.870207832e+05 7.785959164e+05 1.30 1.353930530e+05 4.890184346e+05 6.713849130e+05 1.32 1.069532551e+05 3.977076749e+05 5.708288977e+05 1.34 8.460615369e+04 3.190665401e+05 4.764385298e+05 1.36 6.701787011e+04 2.555957757e+05 3.885999444e+05 1.38 5.314922398e+04 2.050587241e+05 3.133514325e+05 1.40 4.219613242e+04 1.647379236e+05 2.525596212e+05 1.42 3.353449061e+04 1.325177307e+05 2.038497550e+05 1.44 2.667599051e+04 1.067312978e+05 1.647560799e+05 1.46 2.123737470e+04 8.606481673e+04 1.333321356e+05 1.48 1.691941491e+04 6.947888660e+04 1.080282348e+05 1.50 1.348811537e+04 5.614723533e+04 8.762287044e+04 1.52 1.075912638e+04 4.541597504e+04 7.114708347e+04 1.54 8.586957845e+03 3.676824924e+04 5.782805471e+04 1.56 6.856234889e+03 2.979148257e+04 4.704842904e+04 1.58 5.475910064e+03 2.415623183e+04 3.831132342e+04 1.60 4.374438229e+03 1.960046513e+04 3.121898438e+04 1.62 3.495129505e+03 1.591428008e+04 2.545672636e+04 1.64 2.792902135e+03 1.292898659e+04 2.077088718e+04 1.66 2.231866952e+03 1.050853794e+04 1.695657358e+04 1.68 1.783491238e+03 8.543775663e+03 1.384949202e+04 1.70 1.424980091e+03 6.948041315e+03 1.131687070e+04 1.72 1.138218351e+03 5.651485523e+03 9.250839033e+03 1.74 9.088357252e+02 4.597566489e+03 7.564301990e+03 1.76 7.253772756e+02 3.740486173e+03 6.186915929e+03 1.78 5.786762746e+02 3.043301645e+03 5.061535578e+03 1.80 4.613950545e+02 2.476065492e+03 4.141547643e+03 1.82 3.676587719e+02 2.014480019e+03 3.389056357e+03 1.84 2.927573737e+02 1.638819953e+03 2.773417940e+03 1.86 2.329111320e+02 1.333063406e+03 2.269642328e+03 1.88 1.851062498e+02 1.084188432e+03 1.857333245e+03 1.90 1.469326540e+02 8.815310927e+02 1.519705822e+03 1.92 1.164634998e+02 7.164834773e+02 1.243157571e+03 1.94 9.215597008e+01 5.820893434e+02 1.016652878e+03 1.96 7.277321524e+01 4.726781989e+02 8.311539388e+02 1.98 5.732410240e+01 3.836268701e+02 6.792569484e+02 2.00 4.501443674e+01 3.111622486e+02 5.548938610e+02 2.02 3.520637173e+01 2.521874425e+02 4.530835597e+02 2.04 2.739278994e+01 2.042046931e+02 3.697537709e+02 2.06 2.116871753e+01 1.651817359e+02 3.015678667e+02 2.08 1.620955539e+01 1.334591633e+02 2.457894280e+02 2.10 1.225674462e+01 1.076822976e+02 2.001742582e+02 2.12 9.103026714e+00 8.674552006e+01 1.628819140e+02 2.14 6.585079242e+00 6.974676738e+01 1.323974043e+02 2.16 4.573024519e+00 5.595033008e+01 1.074645273e+02 2.18 2.963300921e+00 4.475643322e+01 8.708012195e+01 2.20 1.673451438e+00 3.567370599e+01 7.042295214e+01 2.22 6.379222790e-01 2.830290599e+01 5.681813575e+01 2.24 -1.953213914e-01 2.232256033e+01 4.571133848e+01 2.26 -8.675189016e-01 1.746884483e+01 3.664749322e+01 2.28 -1.411303419e+00 1.352860977e+01 2.925325137e+01 2.30 -1.852459848e+00 1.032976616e+01 2.322251021e+01 2.32 -2.211334438e+00 7.732179367e+00 1.830394473e+01 2.34 -2.503963464e+00 5.621862036e+00 1.429209713e+01 2.36 -2.742975501e+00 3.906204233e+00 1.101950255e+01 2.38 -2.938311402e+00 2.510056874e+00 8.349219444e+00 2.40 -3.097797699e+00 1.372517687e+00 6.169373147e+00 2.42 -3.227594577e+00 4.442954734e-01 4.388662490e+00 2.44 -3.332556310e+00 -3.144501038e-01 2.932657585e+00 2.46 -3.416531904e+00 -9.359172055e-01 1.740751020e+00 2.48 -3.482546009e+00 -1.446022414e+00 7.636485835e-01 2.50 -3.533010766e+00 -1.865585529e+00 -3.869465945e-02 2.52 -3.569899339e+00 -2.211356996e+00 -6.987724188e-01 2.54 -3.594804361e+00 -2.496798238e+00 -1.243060522e+00 2.56 -3.609043186e+00 -2.732717345e+00 -1.692834335e+00 2.58 -3.613731893e+00 -2.927786377e+00 -2.065177756e+00 2.60 -3.609821973e+00 -3.088961622e+00 -2.373924646e+00 2.62 -3.598137922e+00 -3.221824414e+00 -2.630266002e+00 2.64 -3.579405969e+00 -3.330856976e+00 -2.843247504e+00 2.66 -3.554275859e+00 -3.419665189e+00 -3.020176938e+00 2.68 -3.523337227e+00 -3.491158077e+00 -3.166957281e+00 2.70 -3.487131785e+00 -3.547692041e+00 -3.288358529e+00 2.72 -3.446162294e+00 -3.591186435e+00 -3.388239107e+00 2.74 -3.400899091e+00 -3.623215884e+00 -3.469725831e+00 2.76 -3.351784766e+00 -3.645083769e+00 -3.535359844e+00 2.78 -3.299237464e+00 -3.657880505e+00 -3.587214669e+00 2.80 -3.243653184e+00 -3.662529551e+00 -3.626991430e+00 2.82 -3.185405748e+00 -3.659822335e+00 -3.656094211e+00 2.84 -3.124806051e+00 -3.650414364e+00 -3.675653856e+00 2.86 -3.062164898e+00 -3.634893545e+00 -3.686626377e+00 2.88 -2.997798184e+00 -3.613801261e+00 -3.689843516e+00 2.90 -2.932004259e+00 -3.587628610e+00 -3.686022316e+00 2.92 -2.865064227e+00 -3.556826264e+00 -3.675789096e+00 2.94 -2.797242231e+00 -3.521811929e+00 -3.659698308e+00 2.96 -2.728785728e+00 -3.482889889e+00 -3.638247299e+00 2.98 -2.659925797e+00 -3.440307817e+00 -3.611887764e+00 3.00 -2.590877477e+00 -3.394398273e+00 -3.581034595e+00 3.02 -2.521816244e+00 -3.345478502e+00 -3.546072632e+00 3.04 -2.452798674e+00 -3.293850183e+00 -3.507361793e+00 3.06 -2.383973623e+00 -3.239800603e+00 -3.465240903e+00 3.08 -2.315494989e+00 -3.183603504e+00 -3.420030549e+00 3.10 -2.247503789e+00 -3.125519678e+00 -3.372035152e+00 3.12 -2.180128663e+00 -3.065797386e+00 -3.321544470e+00 3.14 -2.113463620e+00 -3.004672670e+00 -3.268834665e+00 3.16 -2.047551759e+00 -2.942369582e+00 -3.214169049e+00 3.18 -1.982482819e+00 -2.879100375e+00 -3.157798601e+00 3.20 -1.918341602e+00 -2.815065684e+00 -3.099962331e+00 3.22 -1.855203554e+00 -2.750454692e+00 -3.040887530e+00 3.24 -1.793135288e+00 -2.685445316e+00 -2.980789963e+00 3.26 -1.732194577e+00 -2.620204413e+00 -2.919852653e+00 3.28 -1.672411965e+00 -2.554887999e+00 -2.858088775e+00 3.30 -1.613820748e+00 -2.489641501e+00 -2.795627273e+00 3.32 -1.556457655e+00 -2.424600028e+00 -2.732633535e+00 3.34 -1.500353164e+00 -2.359888668e+00 -2.669263332e+00 3.36 -1.445531953e+00 -2.295622806e+00 -2.605663014e+00 3.38 -1.392013328e+00 -2.231908457e+00 -2.541969710e+00 3.40 -1.339811644e+00 -2.168842620e+00 -2.478311555e+00 3.42 -1.288936699e+00 -2.106513642e+00 -2.414807925e+00 3.44 -1.239394110e+00 -2.045001589e+00 -2.351569692e+00 3.46 -1.191185674e+00 -1.984354498e+00 -2.288699494e+00 3.48 -1.144309702e+00 -1.924523959e+00 -2.226292011e+00 3.50 -1.098761347e+00 -1.865550668e+00 -2.164434260e+00 3.52 -1.054532897e+00 -1.807486596e+00 -2.103205895e+00 3.54 -1.011614064e+00 -1.750377759e+00 -2.042679509e+00 3.56 -9.699922472e-01 -1.694264547e+00 -1.982920951e+00 3.58 -9.296527845e-01 -1.639182059e+00 -1.923989633e+00 3.60 -8.905791809e-01 -1.585160422e+00 -1.865938848e+00 3.62 -8.527533267e-01 -1.532225103e+00 -1.808816079e+00 3.64 -8.161556982e-01 -1.480397220e+00 -1.752663312e+00 3.66 -7.807655437e-01 -1.429693826e+00 -1.697517338e+00 3.68 -7.465610560e-01 -1.380128203e+00 -1.643410056e+00 3.70 -7.135195318e-01 -1.331710125e+00 -1.590368764e+00 3.72 -6.816175181e-01 -1.284446126e+00 -1.538416447e+00 3.74 -6.508309474e-01 -1.238339747e+00 -1.487572052e+00 3.76 -6.211352609e-01 -1.193391773e+00 -1.437850760e+00 3.78 -5.925055224e-01 -1.149600461e+00 -1.389264242e+00 3.80 -5.649165207e-01 -1.106961755e+00 -1.341820913e+00 3.82 -5.383428646e-01 -1.065469490e+00 -1.295526168e+00 3.84 -5.127590675e-01 -1.025115584e+00 -1.250382612e+00 3.86 -4.881396251e-01 -9.858902166e-01 -1.206390279e+00 3.88 -4.644590849e-01 -9.477820069e-01 -1.163546843e+00 3.90 -4.416921090e-01 -9.107781679e-01 -1.121847811e+00 3.92 -4.198135304e-01 -8.748646601e-01 -1.081286718e+00 3.94 -3.987984024e-01 -8.400263317e-01 -1.041855299e+00 3.96 -3.786220442e-01 -8.062470506e-01 -1.003543660e+00 3.98 -3.592600789e-01 -7.735098273e-01 -9.663404348e-01 4.00 -3.406884689e-01 -7.417969289e-01 -9.302039238e-01 4.02 -3.228835457e-01 -7.110899859e-01 -8.950764256e-01 4.04 -3.058220357e-01 -6.813700902e-01 -8.609434703e-01 4.06 -2.894810826e-01 -6.526178867e-01 -8.277912868e-01 4.08 -2.738382662e-01 -6.248136571e-01 -7.956053059e-01 4.10 -2.588716181e-01 -5.979373978e-01 -7.643702594e-01 4.12 -2.445596347e-01 -5.719688912e-01 -7.340702717e-01 4.14 -2.308812871e-01 -5.468877711e-01 -7.046889462e-01 4.16 -2.178160293e-01 -5.226735826e-01 -6.762094445e-01 4.18 -2.053438036e-01 -4.993058372e-01 -6.486145608e-01 4.20 -1.934450447e-01 -4.767640621e-01 -6.218867898e-01 4.22 -1.821006815e-01 -4.550278461e-01 -5.960083904e-01 4.24 -1.712921375e-01 -4.340768799e-01 -5.709614435e-01 4.26 -1.610013301e-01 -4.138909936e-01 -5.467279063e-01 4.28 -1.512106677e-01 -3.944501897e-01 -5.232896608e-01 4.30 -1.419030473e-01 -3.757346731e-01 -5.006285598e-01 4.32 -1.330618491e-01 -3.577248770e-01 -4.787264672e-01 4.34 -1.246709320e-01 -3.404014873e-01 -4.575652962e-01 4.36 -1.167146269e-01 -3.237454625e-01 -4.371270434e-01 4.38 -1.091777305e-01 -3.077380521e-01 -4.173938193e-01 4.40 -1.020454977e-01 -2.923608125e-01 -3.983478770e-01 4.42 -9.530363381e-02 -2.775956204e-01 -3.799716364e-01 4.44 -8.893828623e-02 -2.634246842e-01 -3.622477076e-01 4.46 -8.293603596e-02 -2.498305536e-01 -3.451589101e-01 4.48 -7.728388857e-02 -2.367961275e-01 -3.286882915e-01 4.50 -7.196926509e-02 -2.243046605e-01 -3.128191422e-01 4.52 -6.697999261e-02 -2.123397673e-01 -2.975350102e-01 4.54 -6.230429517e-02 -2.008854267e-01 -2.828197120e-01 4.56 -5.793078383e-02 -1.899259839e-01 -2.686573435e-01 4.58 -5.384844583e-02 -1.794461511e-01 -2.550322883e-01 4.60 -5.004580352e-02 -1.694310087e-01 -2.419292253e-01 4.62 -4.647009244e-02 -1.598660039e-01 -2.293331342e-01 4.64 -4.308957429e-02 -1.507369494e-01 -2.172293006e-01 4.66 -3.989737507e-02 -1.420300215e-01 -2.056033193e-01 4.68 -3.688664556e-02 -1.337317568e-01 -1.944410973e-01 4.70 -3.405100798e-02 -1.258290491e-01 -1.837288549e-01 4.72 -3.138438619e-02 -1.183091454e-01 -1.734531270e-01 4.74 -2.888086442e-02 -1.111596411e-01 -1.636007627e-01 4.76 -2.653469246e-02 -1.043684758e-01 -1.541589252e-01 4.78 -2.434028882e-02 -9.792392751e-02 -1.451150898e-01 4.80 -2.229223913e-02 -9.181460775e-02 -1.364570426e-01 4.82 -2.038501835e-02 -8.602945532e-02 -1.281728779e-01 4.84 -1.861350710e-02 -8.055773061e-02 -1.202509952e-01 4.86 -1.697295767e-02 -7.538900934e-02 -1.126800963e-01 4.88 -1.545874650e-02 -7.051217820e-02 -1.054491813e-01 4.90 -1.406637904e-02 -6.588362827e-02 -9.854754474e-02 4.92 -1.279149299e-02 -6.147104413e-02 -9.196477154e-02 4.94 -1.162986001e-02 -5.726698664e-02 -8.569073233e-02 4.96 -1.057738631e-02 -5.326462996e-02 -7.971557882e-02 4.98 -9.630112193e-03 -4.945735505e-02 -7.402973890e-02 5.00 -8.784210882e-03 -4.583874313e-02 -6.862391159e-02 5.02 -8.035986581e-03 -4.240256944e-02 -6.348906191e-02 5.04 -7.381263553e-03 -3.914280033e-02 -5.861641555e-02 5.06 -6.790451202e-03 -3.605358858e-02 -5.399745357e-02 5.08 -6.232737157e-03 -3.312926848e-02 -4.962390799e-02 5.10 -5.706152467e-03 -3.036435105e-02 -4.548775551e-02 5.12 -5.209595565e-03 -2.775351929e-02 -4.158120868e-02 5.14 -4.742002510e-03 -2.529147955e-02 -3.789671386e-02 5.16 -4.302345905e-03 -2.297277326e-02 -3.442694587e-02 5.18 -3.889633823e-03 -2.079272098e-02 -3.116480241e-02 5.20 -3.502908733e-03 -1.874692256e-02 -2.810339848e-02 5.22 -3.141246448e-03 -1.683105058e-02 -2.523592911e-02 5.24 -2.803755071e-03 -1.504086088e-02 -2.255522559e-02 5.26 -2.489573973e-03 -1.337220089e-02 -2.005530030e-02 5.28 -2.197872781e-03 -1.182101613e-02 -1.773048080e-02 5.30 -1.927850390e-03 -1.038335505e-02 -1.557515778e-02 5.32 -1.678733989e-03 -9.055372542e-03 -1.358380716e-02 5.34 -1.449778124e-03 -7.833332195e-03 -1.175100778e-02 5.36 -1.240263769e-03 -6.713607627e-03 -1.007145529e-02 5.38 -1.049497429e-03 -5.692682921e-03 -8.539972966e-03 5.40 -8.768102675e-04 -4.767152369e-03 -7.151519576e-03 5.42 -7.215572579e-04 -3.933719613e-03 -5.901195087e-03 5.44 -5.831163552e-04 -3.189196300e-03 -4.784244290e-03 5.46 -4.608876980e-04 -2.530500335e-03 -3.796058807e-03 5.48 -3.542928317e-04 -1.954653802e-03 -2.932177693e-03 5.50 -2.627739570e-04 -1.458780638e-03 -2.188286884e-03 5.52 -1.857932015e-04 -1.040104093e-03 -1.560217700e-03 5.54 -1.228319154e-04 -6.959440504e-04 -1.043944574e-03 5.56 -7.338998951e-05 -4.237142273e-04 -6.355821574e-04 5.58 -3.698519657e-05 -2.209193078e-04 -3.313819380e-04 5.60 -1.315255405e-05 -8.515202964e-05 -1.277284818e-04 5.62 -1.443708722e-06 -1.409025392e-05 -2.113539064e-05 5.64 0.000000000e+00 2.199095067e-11 3.298642594e-11 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00