# 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 = Ag3Pd # 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 5.128723557e+06 nan nan 0.80 4.631936305e+06 nan nan 0.82 4.182739802e+06 nan nan 0.84 3.775645549e+06 nan nan 0.86 3.405905464e+06 4.918303733e+06 nan 0.88 3.069352680e+06 4.479645081e+06 5.021852924e+06 0.90 2.762370153e+06 4.079414621e+06 4.585751213e+06 0.92 2.481784266e+06 3.713527536e+06 4.187045731e+06 0.94 2.224877387e+06 3.378404854e+06 3.821878857e+06 0.96 1.989246299e+06 3.070933962e+06 3.486773491e+06 0.98 1.772777840e+06 2.788313425e+06 3.178728269e+06 1.00 1.573575988e+06 2.528093681e+06 2.895061196e+06 1.02 1.389956785e+06 2.288132797e+06 2.633451999e+06 1.04 1.220450168e+06 2.066532077e+06 2.391827599e+06 1.06 1.063762183e+06 1.861596905e+06 2.168354007e+06 1.08 9.187266484e+05 1.671838452e+06 1.961408946e+06 1.10 7.842704221e+05 1.495844866e+06 1.769476608e+06 1.12 6.594861436e+05 1.332422769e+06 1.591222910e+06 1.14 5.435671837e+05 1.180507444e+06 1.425472238e+06 1.16 4.363354688e+05 1.039092388e+06 1.271150787e+06 1.18 3.418072301e+05 9.073063360e+05 1.127335107e+06 1.20 2.679964149e+05 7.843788309e+05 9.931598874e+05 1.22 2.105841122e+05 6.695844056e+05 8.678586540e+05 1.24 1.658043131e+05 5.622755473e+05 7.507348774e+05 1.26 1.307862652e+05 4.622725043e+05 6.411281069e+05 1.28 1.033432653e+05 3.708738377e+05 5.384760935e+05 1.30 8.178903111e+04 2.965072913e+05 4.426998601e+05 1.32 6.482520964e+04 2.374837866e+05 3.562470938e+05 1.34 5.145205607e+04 1.905251576e+05 2.866030784e+05 1.36 4.089275618e+04 1.530976407e+05 2.309617354e+05 1.38 3.254073200e+04 1.232090215e+05 1.864235000e+05 1.40 2.592287177e+04 9.929353606e+04 1.506991271e+05 1.42 2.067215422e+04 8.012625894e+04 1.219925472e+05 1.44 1.650078464e+04 6.473871634e+04 9.888746573e+04 1.46 1.318183593e+04 5.236805814e+04 8.026320902e+04 1.48 1.053817763e+04 4.240962644e+04 6.522550126e+04 1.50 8.430088042e+03 3.438123072e+04 5.306480553e+04 1.52 6.747631367e+03 2.789972460e+04 4.321558985e+04 1.54 5.403853346e+03 2.266118316e+04 3.522918225e+04 1.56 4.329359961e+03 1.842217504e+04 2.874610966e+04 1.58 3.469492163e+03 1.498709256e+04 2.347655285e+04 1.60 2.780984421e+03 1.220028500e+04 1.918703704e+04 1.62 2.229358375e+03 9.937581774e+03 1.569221369e+04 1.64 1.787186291e+03 8.098963281e+03 1.284201765e+04 1.66 1.432624141e+03 6.603427569e+03 1.051500538e+04 1.68 1.148230500e+03 5.385667389e+03 8.613825486e+03 1.70 9.200456379e+02 4.393543183e+03 7.059590043e+03 1.72 7.369631018e+02 3.584923242e+03 5.788052760e+03 1.74 5.900799754e+02 2.925593475e+03 4.747082469e+03 1.76 4.722532950e+02 2.387726849e+03 3.894477228e+03 1.78 3.777449716e+02 1.948831490e+03 3.195853211e+03 1.80 3.019492304e+02 1.590595844e+03 2.623043962e+03 1.82 2.411766577e+02 1.298081995e+03 2.152987928e+03 1.84 1.924589693e+02 1.059208263e+03 1.767166351e+03 1.86 1.533962110e+02 8.641293335e+02 1.450433333e+03 1.88 1.220863296e+02 7.048139226e+02 1.190383820e+03 1.90 9.699888454e+01 5.746737558e+02 9.767935899e+02 1.92 7.690465137e+01 4.683468947e+02 8.013094297e+02 1.94 6.081900385e+01 3.814912202e+02 6.571417486e+02 1.96 4.794951499e+01 3.105560424e+02 5.387129762e+02 1.98 3.765868426e+01 2.526369350e+02 4.414398002e+02 2.00 2.943326256e+01 2.053564909e+02 3.615545629e+02 2.02 2.285703043e+01 1.667531738e+02 2.959535331e+02 2.04 1.760138511e+01 1.352415812e+02 2.420847922e+02 2.06 1.340339649e+01 1.095302156e+02 1.978444994e+02 2.08 1.005067062e+01 8.856078724e+01 1.615241010e+02 2.10 7.373378347e+00 7.146333633e+01 1.317173733e+02 2.12 5.236208984e+00 5.752857638e+01 1.072659976e+02 2.14 3.530548994e+00 4.617673010e+01 8.721435927e+01 2.16 2.169317502e+00 3.693120311e+01 7.076600342e+01 2.18 1.082801286e+00 2.940485667e+01 5.727889360e+01 2.20 2.152746318e-01 2.328006392e+01 4.622660024e+01 2.22 -4.777377139e-01 1.829644638e+01 3.717496753e+01 2.24 -1.031674953e+00 1.424349107e+01 2.976616580e+01 2.26 -1.474730085e+00 1.094821064e+01 2.370540865e+01 2.28 -1.829295044e+00 8.269455641e+00 1.874999405e+01 2.30 -2.113126138e+00 6.092862102e+00 1.470023725e+01 2.32 -2.340282673e+00 4.324922675e+00 1.139164221e+01 2.34 -2.521881805e+00 2.889271896e+00 8.689112920e+00 2.36 -2.666682459e+00 1.723617536e+00 6.482315557e+00 2.38 -2.781575470e+00 7.772034373e-01 4.680704838e+00 2.40 -2.872012074e+00 8.729903060e-03 3.210037440e+00 2.42 -2.942288634e+00 -6.153627481e-01 2.009281265e+00 2.44 -2.995778461e+00 -1.122306941e+00 1.028746671e+00 2.46 -3.035180730e+00 -1.534186041e+00 2.279541447e-01 2.48 -3.062619159e+00 -1.868850130e+00 -4.261780062e-01 2.50 -3.079778221e+00 -2.140691631e+00 -9.606514903e-01 2.52 -3.088045955e+00 -2.361333855e+00 -1.397477182e+00 2.54 -3.088527261e+00 -2.540152041e+00 -1.754589878e+00 2.56 -3.082112694e+00 -2.684699642e+00 -2.046514881e+00 2.58 -3.069574860e+00 -2.801056836e+00 -2.285001953e+00 2.60 -3.051567793e+00 -2.894114986e+00 -2.479601383e+00 2.62 -3.028653666e+00 -2.967808422e+00 -2.638067030e+00 2.64 -3.001323650e+00 -3.025302935e+00 -2.766687914e+00 2.66 -2.970013852e+00 -3.069148749e+00 -2.870561005e+00 2.68 -2.935117385e+00 -3.101404378e+00 -2.953815291e+00 2.70 -2.896980194e+00 -3.123725279e+00 -3.019778986e+00 2.72 -2.855920935e+00 -3.137455244e+00 -3.071145810e+00 2.74 -2.812249238e+00 -3.143703116e+00 -3.110114645e+00 2.76 -2.766256083e+00 -3.143383369e+00 -3.138473430e+00 2.78 -2.718216319e+00 -3.137257205e+00 -3.157680545e+00 2.80 -2.668390419e+00 -3.125965160e+00 -3.168930798e+00 2.82 -2.617025666e+00 -3.110014222e+00 -3.173208783e+00 2.84 -2.564327977e+00 -3.089813667e+00 -3.171294842e+00 2.86 -2.510490532e+00 -3.065746590e+00 -3.163835388e+00 2.88 -2.455723562e+00 -3.038178357e+00 -3.151408653e+00 2.90 -2.400226056e+00 -3.007437728e+00 -3.134510089e+00 2.92 -2.344185941e+00 -2.973824149e+00 -3.113569508e+00 2.94 -2.287780232e+00 -2.937613352e+00 -3.088964675e+00 2.96 -2.231175162e+00 -2.899011491e+00 -3.061032008e+00 2.98 -2.174523051e+00 -2.858126127e+00 -3.030074966e+00 3.00 -2.117927873e+00 -2.815173730e+00 -2.996370562e+00 3.02 -2.061505858e+00 -2.770365558e+00 -2.960174387e+00 3.04 -2.005260653e+00 -2.723902207e+00 -2.921724456e+00 3.06 -1.949259221e+00 -2.675974587e+00 -2.881244107e+00 3.08 -1.893606515e+00 -2.626764641e+00 -2.838944174e+00 3.10 -1.838397556e+00 -2.576445839e+00 -2.795021723e+00 3.12 -1.783693699e+00 -2.525183538e+00 -2.749611915e+00 3.14 -1.729558738e+00 -2.473135233e+00 -2.702874109e+00 3.16 -1.676034507e+00 -2.420450732e+00 -2.654980125e+00 3.18 -1.623184983e+00 -2.367272292e+00 -2.606093877e+00 3.20 -1.571071377e+00 -2.313734727e+00 -2.556371686e+00 3.22 -1.519748470e+00 -2.259965501e+00 -2.505962503e+00 3.24 -1.469264944e+00 -2.206084829e+00 -2.455008069e+00 3.26 -1.419663717e+00 -2.152205772e+00 -2.403639542e+00 3.28 -1.370982272e+00 -2.098434359e+00 -2.351854261e+00 3.30 -1.323252975e+00 -2.044850550e+00 -2.299705949e+00 3.32 -1.276503398e+00 -1.991517810e+00 -2.247307529e+00 3.34 -1.230756625e+00 -1.938522661e+00 -2.194765613e+00 3.36 -1.186031552e+00 -1.885945576e+00 -2.142180611e+00 3.38 -1.142343179e+00 -1.833860826e+00 -2.089646857e+00 3.40 -1.099702889e+00 -1.782336676e+00 -2.037252737e+00 3.42 -1.058118719e+00 -1.731435589e+00 -1.985080830e+00 3.44 -1.017595620e+00 -1.681214442e+00 -1.933208052e+00 3.46 -9.781356987e-01 -1.631719083e+00 -1.881705818e+00 3.48 -9.397384588e-01 -1.582912293e+00 -1.830640204e+00 3.50 -9.024010211e-01 -1.534808219e+00 -1.780072125e+00 3.52 -8.661183367e-01 -1.487444451e+00 -1.730057510e+00 3.54 -8.308833881e-01 -1.440854409e+00 -1.680647493e+00 3.56 -7.966873775e-01 -1.395067559e+00 -1.631888603e+00 3.58 -7.635199056e-01 -1.350109625e+00 -1.583822956e+00 3.60 -7.313691388e-01 -1.306002808e+00 -1.536488449e+00 3.62 -7.002219658e-01 -1.262765989e+00 -1.489918964e+00 3.64 -6.700641445e-01 -1.220414929e+00 -1.444144555e+00 3.66 -6.408804386e-01 -1.178962474e+00 -1.399191652e+00 3.68 -6.126547451e-01 -1.138418738e+00 -1.355083248e+00 3.70 -5.853702128e-01 -1.098791291e+00 -1.311839094e+00 3.72 -5.590093520e-01 -1.060085337e+00 -1.269475883e+00 3.74 -5.335541361e-01 -1.022303883e+00 -1.228007435e+00 3.76 -5.089860955e-01 -9.854479045e-01 -1.187444875e+00 3.78 -4.852864038e-01 -9.495165027e-01 -1.147796803e+00 3.80 -4.624359575e-01 -9.145070522e-01 -1.109066727e+00 3.82 -4.404154484e-01 -8.804153445e-01 -1.071242234e+00 3.84 -4.192054308e-01 -8.472357236e-01 -1.034323216e+00 3.86 -3.987863817e-01 -8.149612137e-01 -9.983105435e-01 3.88 -3.791387565e-01 -7.835836415e-01 -9.632033343e-01 3.90 -3.602430388e-01 -7.530937501e-01 -9.289990866e-01 3.92 -3.420797861e-01 -7.234813076e-01 -8.956938105e-01 3.94 -3.246296702e-01 -6.947352093e-01 -8.632821512e-01 3.96 -3.078735142e-01 -6.668435724e-01 -8.317575065e-01 3.98 -2.917923253e-01 -6.397938264e-01 -8.011121391e-01 4.00 -2.763673237e-01 -6.135727969e-01 -7.713272849e-01 4.02 -2.615799685e-01 -5.881667836e-01 -7.423520931e-01 4.04 -2.474119805e-01 -5.635616340e-01 -7.141727284e-01 4.06 -2.338453620e-01 -5.397428109e-01 -6.867792694e-01 4.08 -2.208624136e-01 -5.166954558e-01 -6.601611527e-01 4.10 -2.084457497e-01 -4.944044476e-01 -6.343072462e-01 4.12 -1.965783103e-01 -4.728544570e-01 -6.092059160e-01 4.14 -1.852433716e-01 -4.520299959e-01 -5.848450910e-01 4.16 -1.744245546e-01 -4.319154645e-01 -5.612123217e-01 4.18 -1.641058322e-01 -4.124951930e-01 -5.382948356e-01 4.20 -1.542715337e-01 -3.937534809e-01 -5.160795893e-01 4.22 -1.449063493e-01 -3.756746326e-01 -4.945533157e-01 4.24 -1.359953323e-01 -3.582429898e-01 -4.737025692e-01 4.26 -1.275239003e-01 -3.414429613e-01 -4.535137663e-01 4.28 -1.194778358e-01 -3.252590497e-01 -4.339732240e-01 4.30 -1.118432849e-01 -3.096758758e-01 -4.150671948e-01 4.32 -1.046067564e-01 -2.946782004e-01 -3.967818991e-01 4.34 -9.775511895e-02 -2.802509439e-01 -3.791035546e-01 4.36 -9.127559803e-02 -2.663792040e-01 -3.620184038e-01 4.38 -8.515577257e-02 -2.530482712e-01 -3.455127386e-01 4.40 -7.938357046e-02 -2.402436424e-01 -3.295729233e-01 4.42 -7.394726400e-02 -2.279510332e-01 -3.141854146e-01 4.44 -6.883546476e-02 -2.161563886e-01 -2.993367805e-01 4.46 -6.403711811e-02 -2.048458915e-01 -2.850137174e-01 4.48 -5.954149747e-02 -1.940059707e-01 -2.712030646e-01 4.50 -5.533819824e-02 -1.836233077e-01 -2.578918182e-01 4.52 -5.141713160e-02 -1.736848413e-01 -2.450671430e-01 4.54 -4.776851801e-02 -1.641777728e-01 -2.327163832e-01 4.56 -4.438288077e-02 -1.550895685e-01 -2.208270716e-01 4.58 -4.125104046e-02 -1.464079624e-01 -2.093869377e-01 4.60 -3.836410519e-02 -1.381209582e-01 -1.983839153e-01 4.62 -3.569487474e-02 -1.302168295e-01 -1.878061474e-01 4.64 -3.319053078e-02 -1.226841206e-01 -1.776419925e-01 4.66 -3.084332078e-02 -1.155029307e-01 -1.678800277e-01 4.68 -2.864780973e-02 -1.086503742e-01 -1.585090528e-01 4.70 -2.659864180e-02 -1.021165014e-01 -1.495180924e-01 4.72 -2.469074808e-02 -9.589169993e-02 -1.408963981e-01 4.74 -2.291928024e-02 -8.996659630e-02 -1.326334497e-01 4.76 -2.127952903e-02 -8.433205334e-02 -1.247189558e-01 4.78 -1.976689520e-02 -7.897916778e-02 -1.171428540e-01 4.80 -1.837499064e-02 -7.389926749e-02 -1.098953109e-01 4.82 -1.707094475e-02 -6.908390838e-02 -1.029667206e-01 4.84 -1.584190194e-02 -6.452487116e-02 -9.634770449e-02 4.86 -1.468546871e-02 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