# 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 = AuCu3 # 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 3.117117752e+06 nan nan 0.80 2.798968721e+06 nan nan 0.82 2.511458474e+06 nan nan 0.84 2.251033160e+06 nan nan 0.86 2.014620015e+06 2.982336716e+06 nan 0.88 1.799559983e+06 2.701498310e+06 3.050567878e+06 0.90 1.603516303e+06 2.445326564e+06 2.771311853e+06 0.92 1.424448185e+06 2.211256080e+06 2.516073545e+06 0.94 1.260600336e+06 1.997003923e+06 2.282406816e+06 0.96 1.110408187e+06 1.800556695e+06 2.068131114e+06 0.98 9.724837643e+05 1.620061971e+06 1.871261437e+06 1.00 8.456568737e+05 1.453982128e+06 1.690072371e+06 1.02 7.288473052e+05 1.300907849e+06 1.523030352e+06 1.04 6.211037691e+05 1.159613526e+06 1.368812387e+06 1.06 5.215745982e+05 1.029023430e+06 1.226249598e+06 1.08 4.295364933e+05 9.081410500e+05 1.094291705e+06 1.10 3.444049603e+05 7.961125795e+05 9.719953462e+05 1.12 2.684177136e+05 6.921914187e+05 8.584984092e+05 1.14 2.070875488e+05 5.956757175e+05 7.530512395e+05 1.16 1.601181075e+05 5.059044602e+05 6.549576139e+05 1.18 1.240582188e+05 4.223020164e+05 5.635856890e+05 1.20 9.631039915e+04 3.444743474e+05 4.783857996e+05 1.22 7.490528873e+04 2.743512668e+05 3.988657373e+05 1.24 5.835432517e+04 2.161833721e+05 3.249369183e+05 1.26 4.553232062e+04 1.706665957e+05 2.589819733e+05 1.28 3.557913267e+04 1.349750659e+05 2.055229008e+05 1.30 2.783543973e+04 1.069303449e+05 1.633948616e+05 1.32 2.180086149e+04 8.484854031e+04 1.301133284e+05 1.34 1.709214397e+04 6.742307574e+04 1.037728611e+05 1.36 1.341348655e+04 5.364907318e+04 8.288974588e+04 1.38 1.053443850e+04 4.274281782e+04 6.630592357e+04 1.40 8.277879082e+03 3.409193289e+04 5.310810126e+04 1.42 6.507643344e+03 2.722122153e+04 4.258357397e+04 1.44 5.117961510e+03 2.175763053e+04 3.418026464e+04 1.46 4.026156113e+03 1.740646016e+04 2.746102070e+04 1.48 3.167738840e+03 1.393494936e+04 2.208105197e+04 1.50 2.492292884e+03 1.116163937e+04 1.776901159e+04 1.52 1.960568215e+03 8.944350172e+03 1.430904410e+04 1.54 1.541932223e+03 7.170320188e+03 1.152970105e+04 1.56 1.212303131e+03 5.749809343e+03 9.295396341e+03 1.58 9.527267574e+02 4.611747567e+03 7.497718029e+03 1.60 7.483393332e+02 3.699588544e+03 6.049669568e+03 1.62 5.874353263e+02 2.968219527e+03 4.882497993e+03 1.64 4.607275797e+02 2.381597723e+03 3.941291331e+03 1.66 3.609565725e+02 1.910887119e+03 3.181963921e+03 1.68 2.824231522e+02 1.532891546e+03 2.568915147e+03 1.70 2.206289828e+02 1.229210673e+03 2.073657123e+03 1.72 1.720362137e+02 9.852600128e+02 1.673500624e+03 1.74 1.338573667e+02 7.893189819e+02 1.350166529e+03 1.76 1.038898495e+02 6.319672490e+02 1.088919161e+03 1.78 8.038622632e+01 5.055965525e+02 8.778409971e+02 1.80 6.196765376e+01 4.041064441e+02 7.073002489e+02 1.82 4.755071256e+01 3.226403029e+02 5.695358123e+02 1.84 3.627482824e+01 2.572845543e+02 4.582810092e+02 1.86 2.746343800e+01 2.048856141e+02 3.684649735e+02 1.88 2.058394105e+01 1.629024307e+02 2.959837138e+02 1.90 1.521938133e+01 1.292834162e+02 2.374739939e+02 1.92 1.104110574e+01 1.023806887e+02 1.902249874e+02 1.94 7.790038573e+00 8.086691490e+01 1.521009151e+02 1.96 5.262313621e+00 6.366615963e+01 1.213666427e+02 1.98 3.297819859e+00 4.992637464e+01 9.661260215e+01 2.00 1.771061350e+00 3.895706589e+01 7.669413125e+01 2.02 5.838600161e-01 3.020523131e+01 6.068191381e+01 2.04 -3.402616728e-01 2.323105774e+01 4.782247509e+01 2.06 -1.060795481e+00 1.768010679e+01 3.750325141e+01 2.08 -1.623901797e+00 1.326690201e+01 2.923058231e+01 2.10 -2.065287803e+00 9.761812876e+00 2.260540376e+01 2.12 -2.412453521e+00 6.980394414e+00 1.730478908e+01 2.14 -2.686485151e+00 4.774726512e+00 1.306744869e+01 2.16 -2.903502425e+00 3.026375740e+00 9.681994734e+00 2.18 -3.075850958e+00 1.640542804e+00 6.979080139e+00 2.20 -3.212942479e+00 5.417838287e-01 4.822299521e+00 2.22 -3.321916562e+00 -3.298138255e-01 3.101861820e+00 2.24 -3.408171365e+00 -1.021810339e+00 1.729333028e+00 2.26 -3.475736872e+00 -1.571956500e+00 6.335705583e-01 2.28 -3.527724492e+00 -2.010067935e+00 -2.415312999e-01 2.30 -3.566508036e+00 -2.359661844e+00 -9.408647613e-01 2.32 -3.593903454e+00 -2.639256697e+00 -1.500336042e+00 2.34 -3.611312427e+00 -2.863390906e+00 -1.948565616e+00 2.36 -3.619832146e+00 -3.043443486e+00 -2.308308566e+00 2.38 -3.620338589e+00 -3.188293848e+00 -2.597619352e+00 2.40 -3.613549098e+00 -3.304851081e+00 -2.830782346e+00 2.42 -3.600068877e+00 -3.398477464e+00 -3.019066570e+00 2.44 -3.580425070e+00 -3.473326391e+00 -3.171336705e+00 2.46 -3.555090617e+00 -3.532608015e+00 -3.294546751e+00 2.48 -3.524461012e+00 -3.578804950e+00 -3.394137952e+00 2.50 -3.488913693e+00 -3.613833222e+00 -3.474342539e+00 2.52 -3.448777921e+00 -3.639131978e+00 -3.538372714e+00 2.54 -3.404424700e+00 -3.655865323e+00 -3.588759772e+00 2.56 -3.356225929e+00 -3.664965332e+00 -3.627498633e+00 2.58 -3.304544884e+00 -3.667183646e+00 -3.656169517e+00 2.60 -3.249736672e+00 -3.663138588e+00 -3.676017080e+00 2.62 -3.192147996e+00 -3.653227723e+00 -3.688029088e+00 2.64 -3.132116496e+00 -3.637753807e+00 -3.692998296e+00 2.66 -3.069969849e+00 -3.617106986e+00 -3.691570785e+00 2.68 -3.005914815e+00 -3.591640830e+00 -3.684283456e+00 2.70 -2.940093649e+00 -3.561682934e+00 -3.671592848e+00 2.72 -2.872789779e+00 -3.527542650e+00 -3.653897071e+00 2.74 -2.804274805e+00 -3.489516479e+00 -3.631552281e+00 2.76 -2.734806831e+00 -3.447891669e+00 -3.604884871e+00 2.78 -2.664597382e+00 -3.402948484e+00 -3.574200315e+00 2.80 -2.593823844e+00 -3.354961456e+00 -3.539789414e+00 2.82 -2.522698705e+00 -3.304199279e+00 -3.501931739e+00 2.84 -2.451404807e+00 -3.250911535e+00 -3.460881196e+00 2.86 -2.380121638e+00 -3.195350742e+00 -3.416895233e+00 2.88 -2.309022565e+00 -3.137769376e+00 -3.370224975e+00 2.90 -2.238267971e+00 -3.078413345e+00 -3.320917776e+00 2.92 -2.168005554e+00 -3.017521341e+00 -3.269125775e+00 2.94 -2.098370666e+00 -2.955324203e+00 -3.215081369e+00 2.96 -2.029486723e+00 -2.892011562e+00 -3.159011567e+00 2.98 -1.961465635e+00 -2.827762343e+00 -3.101137603e+00 3.00 -1.894408284e+00 -2.762779670e+00 -3.041674484e+00 3.02 -1.828405016e+00 -2.697256972e+00 -2.980830527e+00 3.04 -1.763536154e+00 -2.631377730e+00 -2.918806914e+00 3.06 -1.699872521e+00 -2.565289938e+00 -2.855797273e+00 3.08 -1.637475971e+00 -2.499014517e+00 -2.791987324e+00 3.10 -1.576399912e+00 -2.432679949e+00 -2.727554569e+00 3.12 -1.516689833e+00 -2.366426733e+00 -2.662668056e+00 3.14 -1.458366486e+00 -2.300385915e+00 -2.597488205e+00 3.16 -1.401431740e+00 -2.234679266e+00 -2.532166696e+00 3.18 -1.345910941e+00 -2.169419494e+00 -2.466846422e+00 3.20 -1.291824106e+00 -2.104710497e+00 -2.401661495e+00 3.22 -1.239185840e+00 -2.040647630e+00 -2.336737311e+00 3.24 -1.188005770e+00 -1.977318009e+00 -2.272190659e+00 3.26 -1.138284706e+00 -1.914800821e+00 -2.208121664e+00 3.28 -1.089995863e+00 -1.853167655e+00 -2.144576160e+00 3.30 -1.043132307e+00 -1.792482840e+00 -2.081636501e+00 3.32 -9.976888720e-01 -1.732803792e+00 -2.019387385e+00 3.34 -9.536572795e-01 -1.674181359e+00 -1.957906156e+00 3.36 -9.110264478e-01 -1.616660174e+00 -1.897263086e+00 3.38 -8.697827760e-01 -1.560279000e+00 -1.837521658e+00 3.40 -8.299104140e-01 -1.505071075e+00 -1.778738873e+00 3.42 -7.913915139e-01 -1.451064447e+00 -1.720965547e+00 3.44 -7.542064650e-01 -1.398282310e+00 -1.664246621e+00 3.46 -7.183341121e-01 -1.346734224e+00 -1.608621469e+00 3.48 -6.837519590e-01 -1.296399977e+00 -1.554124203e+00 3.50 -6.504363564e-01 -1.247287771e+00 -1.500783977e+00 3.52 -6.183626759e-01 -1.199405755e+00 -1.448625284e+00 3.54 -5.875054707e-01 -1.152758772e+00 -1.397624976e+00 3.56 -5.578386230e-01 -1.107348609e+00 -1.347743400e+00 3.58 -5.293354797e-01 -1.063174247e+00 -1.298993910e+00 3.60 -5.019689764e-01 -1.020232092e+00 -1.251386733e+00 3.62 -4.757117508e-01 -9.785161970e-01 -1.204928965e+00 3.64 -4.505362457e-01 -9.380184740e-01 -1.159624798e+00 3.66 -4.264148031e-01 -8.987288923e-01 -1.115475747e+00 3.68 -4.033197484e-01 -8.606356668e-01 -1.072480856e+00 3.70 -3.812234675e-01 -8.237254350e-01 -1.030636900e+00 3.72 -3.600984755e-01 -7.879834236e-01 -9.899385782e-01 3.74 -3.399174779e-01 -7.533936044e-01 -9.503786942e-01 3.76 -3.206534263e-01 -7.199388407e-01 -9.119483264e-01 3.78 -3.022795662e-01 -6.876010238e-01 -8.746369917e-01 3.80 -2.847694809e-01 -6.563612001e-01 -8.384327978e-01 3.82 -2.680971287e-01 -6.261996894e-01 -8.033225878e-01 3.84 -2.522368761e-01 -5.970961951e-01 -7.692920746e-01 3.86 -2.371635258e-01 -5.690299059e-01 -7.363259683e-01 3.88 -2.228523415e-01 -5.419795899e-01 -7.044080945e-01 3.90 -2.092790678e-01 -5.159236816e-01 -6.735215054e-01 3.92 -1.964199477e-01 -4.908403618e-01 -6.436485830e-01 3.94 -1.842517362e-01 -4.667076311e-01 -6.147711352e-01 3.96 -1.727517114e-01 -4.435033769e-01 -5.868704854e-01 3.98 -1.618976829e-01 -4.212054354e-01 -5.599275550e-01 4.00 -1.516679978e-01 -3.997916472e-01 -5.339135045e-01 4.02 -1.420415447e-01 -3.792399087e-01 -5.087977002e-01 4.04 -1.329977553e-01 -3.595282176e-01 -4.845610430e-01 4.06 -1.245166051e-01 -3.406347151e-01 -4.611843168e-01 4.08 -1.165471071e-01 -3.225377231e-01 -4.386482161e-01 4.10 -1.089789800e-01 -3.052157780e-01 -4.169333948e-01 4.12 -1.017924238e-01 -2.886476603e-01 -3.960205119e-01 4.14 -9.497432609e-02 -2.728124214e-01 -3.758902723e-01 4.16 -8.851195886e-02 -2.576894070e-01 -3.565234647e-01 4.18 -8.239297228e-02 -2.432582773e-01 -3.379009952e-01 4.20 -7.660526996e-02 -2.294990255e-01 -3.200039182e-01 4.22 -7.113693228e-02 -2.163919922e-01 -3.028134640e-01 4.24 -6.597702308e-02 -2.039178792e-01 -2.863110633e-01 4.26 -6.111486598e-02 -1.920577602e-01 -2.704783699e-01 4.28 -5.654000627e-02 -1.807930896e-01 -2.552972793e-01 4.30 -5.224224190e-02 -1.701057100e-01 -2.407499469e-01 4.32 -4.821164582e-02 -1.599719443e-01 -2.268188027e-01 4.34 -4.443858128e-02 -1.503086445e-01 -2.134865644e-01 4.36 -4.091371121e-02 -1.410830347e-01 -2.007362488e-01 4.38 -3.762800282e-02 -1.322816280e-01 -1.885511812e-01 4.40 -3.457272861e-02 -1.238912645e-01 -1.769150039e-01 4.42 -3.173946437e-02 -1.158991104e-01 -1.658116821e-01 4.44 -2.912008144e-02 -1.082926560e-01 -1.552255097e-01 4.46 -2.670410957e-02 -1.010597133e-01 -1.451411128e-01 4.48 -2.443981336e-02 -9.418841313e-02 -1.355434533e-01 4.50 -2.230596445e-02 -8.766720161e-02 -1.264178299e-01 4.52 -2.029785861e-02 -8.148483711e-02 -1.177498799e-01 4.54 -1.841095201e-02 -7.563038443e-02 -1.095255787e-01 4.56 -1.664065745e-02 -7.009321154e-02 -1.017312392e-01 4.58 -1.498246176e-02 -6.486298417e-02 -9.435351097e-02 4.60 -1.343251072e-02 -5.992966060e-02 -8.737937824e-02 4.62 -1.198703837e-02 -5.528348747e-02 -8.079615557e-02 4.64 -1.064235851e-02 -5.091484966e-02 -7.459148598e-02 4.66 -9.394872689e-03 -4.681439199e-02 -6.875333786e-02 4.68 -8.241076132e-03 -4.297312383e-02 -6.327000105e-02 4.70 -7.177562115e-03 -3.938266466e-02 -5.812988434e-02 4.72 -6.201024893e-03 -3.603484394e-02 -5.332178380e-02 4.74 -5.308261470e-03 -3.292164129e-02 -4.883518455e-02 4.76 -4.496172384e-03 -3.003520922e-02 -4.465977454e-02 4.78 -3.761761675e-03 -2.736789029e-02 -4.078546066e-02 4.80 -3.102136177e-03 -2.491223015e-02 -3.720238577e-02 4.82 -2.514504258e-03 -2.266098451e-02 -3.390094211e-02 4.84 -1.996174122e-03 -2.060712495e-02 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