# 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 = AuPd3 # 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 2.702862495e+06 nan nan 0.80 2.454903135e+06 nan nan 0.82 2.230833038e+06 nan nan 0.84 2.027865722e+06 nan nan 0.86 1.843608865e+06 2.597651711e+06 nan 0.88 1.675986111e+06 2.378755534e+06 2.650168970e+06 0.90 1.523187811e+06 2.179135091e+06 2.432530085e+06 0.92 1.383633171e+06 1.996731489e+06 2.233637342e+06 0.94 1.255955190e+06 1.829749977e+06 2.051548906e+06 0.96 1.138939968e+06 1.676605406e+06 1.884530317e+06 0.98 1.031499649e+06 1.535920977e+06 1.731072508e+06 1.00 9.326985510e+05 1.406478867e+06 1.589836494e+06 1.02 8.416983367e+05 1.287211073e+06 1.459669588e+06 1.04 7.577671470e+05 1.177136900e+06 1.339536007e+06 1.06 6.802502542e+05 1.075398489e+06 1.228488081e+06 1.08 6.085697348e+05 9.812492671e+05 1.125703691e+06 1.10 5.421876989e+05 8.939945020e+05 1.030422675e+06 1.12 4.806385177e+05 8.130322690e+05 9.419941949e+05 1.14 4.235027045e+05 7.378262473e+05 8.598261881e+05 1.16 3.704124490e+05 6.678742843e+05 7.833905441e+05 1.18 3.210260707e+05 6.027420174e+05 7.122164646e+05 1.20 2.750368021e+05 5.420441229e+05 6.458667108e+05 1.22 2.321744832e+05 4.854254619e+05 5.839555233e+05 1.24 1.921859345e+05 4.325465942e+05 5.261314543e+05 1.26 1.548427651e+05 3.831162409e+05 4.720595423e+05 1.28 1.216605763e+05 3.368714803e+05 4.214518714e+05 1.30 9.553798001e+04 2.935732363e+05 3.740480121e+05 1.32 7.512634487e+04 2.529874141e+05 3.296039614e+05 1.34 5.915033898e+04 2.149054690e+05 2.878978061e+05 1.36 4.662755365e+04 1.791507410e+05 2.487321594e+05 1.38 3.679636516e+04 1.456135654e+05 2.119288025e+05 1.40 2.906541624e+04 1.165301078e+05 1.773189223e+05 1.42 2.297862253e+04 9.334981861e+04 1.448002919e+05 1.44 1.818108508e+04 7.486581217e+04 1.165873657e+05 1.46 1.439587502e+04 6.010607040e+04 9.397050018e+04 1.48 1.140609199e+04 4.830530229e+04 7.582854257e+04 1.50 9.041664531e+03 3.885804943e+04 6.125437144e+04 1.52 7.170287505e+03 3.128632124e+04 4.952531876e+04 1.54 5.688255382e+03 2.521141029e+04 4.007559145e+04 1.56 4.513900349e+03 2.033184948e+04 3.245444462e+04 1.58 3.582820727e+03 1.640692125e+04 2.630141286e+04 1.60 2.844271779e+03 1.324571970e+04 2.132904451e+04 1.62 2.258029903e+03 1.069783919e+04 1.730747651e+04 1.64 1.792479217e+03 8.643086809e+03 1.405154959e+04 1.66 1.422710278e+03 6.985026388e+03 1.141312453e+04 1.68 1.129001208e+03 5.646325244e+03 9.273798588e+03 1.70 8.956962535e+02 4.565037017e+03 7.538188661e+03 1.72 7.103455164e+02 3.691359127e+03 6.129209977e+03 1.74 5.630959760e+02 2.985189401e+03 4.984817929e+03 1.76 4.461236625e+02 2.414225222e+03 4.054960339e+03 1.78 3.532091215e+02 1.952484218e+03 3.299150806e+03 1.80 2.794163555e+02 1.578960303e+03 2.684471170e+03 1.82 2.208278994e+02 1.276634029e+03 2.184168867e+03 1.84 1.743295756e+02 1.031930997e+03 1.776906593e+03 1.86 1.374413847e+02 8.338810629e+02 1.445364007e+03 1.88 1.081880936e+02 6.736055493e+02 1.175457997e+03 1.90 8.499793002e+01 5.439109992e+02 9.557243329e+02 1.92 6.661877921e+01 4.389635617e+02 7.768372708e+02 1.94 5.205625113e+01 3.540559730e+02 6.312164593e+02 1.96 4.052015942e+01 2.853798068e+02 5.126911736e+02 1.98 3.138150458e+01 2.298477413e+02 4.162347758e+02 2.00 2.414061430e+01 1.849555042e+02 3.377513291e+02 2.02 1.839767341e+01 1.486667703e+02 2.739008534e+02 2.04 1.384141461e+01 1.193411813e+02 2.219509040e+02 2.06 1.022544869e+01 9.565034532e+01 1.796606107e+02 2.08 7.354056275e+00 7.651701101e+01 1.452471032e+02 2.10 5.071941963e+00 6.106169957e+01 1.172557686e+02 2.12 3.256013831e+00 4.857849786e+01 9.449807639e+01 2.14 1.808970114e+00 3.849777144e+01 7.600290559e+01 2.16 6.539074246e-01 3.035467866e+01 6.097674861e+01 2.18 -2.698887373e-01 2.377779336e+01 4.877340740e+01 2.20 -1.010287441e+00 1.846651003e+01 3.886562631e+01 2.22 -1.604981708e+00 1.417724149e+01 3.082319203e+01 2.24 -2.083617206e+00 1.071285537e+01 2.429603555e+01 2.26 -2.469487552e+00 7.913767626e+00 1.899904061e+01 2.28 -2.780882494e+00 5.651054917e+00 1.470011848e+01 2.30 -3.032145012e+00 3.820647650e+00 1.121049720e+01 2.32 -3.234506072e+00 2.338589778e+00 8.376558215e+00 2.34 -3.396813968e+00 1.137220393e+00 6.073742099e+00 2.36 -3.526057615e+00 1.621057844e-01 4.201169877e+00 2.38 -3.627721982e+00 -6.304941476e-01 2.677064923e+00 2.40 -3.706134586e+00 -1.275706608e+00 1.435195003e+00 2.42 -3.764713354e+00 -1.801709796e+00 4.215964442e-01 2.44 -3.806216288e+00 -2.231084192e+00 -4.069202731e-01 2.46 -3.832901722e+00 -2.581926266e+00 -1.085003062e+00 2.48 -3.846593185e+00 -2.868695861e+00 -1.640663044e+00 2.50 -3.848812362e+00 -3.102945132e+00 -2.096522157e+00 2.52 -3.840856504e+00 -3.293916057e+00 -2.470832755e+00 2.54 -3.823835261e+00 -3.449005829e+00 -2.778296508e+00 2.56 -3.798712373e+00 -3.574141634e+00 -3.030756396e+00 2.58 -3.766337397e+00 -3.674081855e+00 -3.237759555e+00 2.60 -3.727469717e+00 -3.752657605e+00 -3.406998895e+00 2.62 -3.682796570e+00 -3.812965968e+00 -3.544676929e+00 2.64 -3.632946496e+00 -3.857524175e+00 -3.655800677e+00 2.66 -3.578499292e+00 -3.888392283e+00 -3.744420233e+00 2.68 -3.519993321e+00 -3.907270477e+00 -3.813821354e+00 2.70 -3.457896172e+00 -3.915551884e+00 -3.866641243e+00 2.72 -3.392642095e+00 -3.914403327e+00 -3.905029676e+00 2.74 -3.324670286e+00 -3.904839751e+00 -3.930789912e+00 2.76 -3.254392899e+00 -3.887739096e+00 -3.945420381e+00 2.78 -3.182196588e+00 -3.863870847e+00 -3.950177972e+00 2.80 -3.108443676e+00 -3.833918009e+00 -3.946128305e+00 2.82 -3.033472585e+00 -3.798395377e+00 -3.934185193e+00 2.84 -2.957588332e+00 -3.757757200e+00 -3.915134970e+00 2.86 -2.881079777e+00 -3.712498495e+00 -3.889670677e+00 2.88 -2.804160189e+00 -3.663080866e+00 -3.858411873e+00 2.90 -2.726936230e+00 -3.609933728e+00 -3.821916870e+00 2.92 -2.649633256e+00 -3.553458580e+00 -3.780694113e+00 2.94 -2.572464996e+00 -3.494032238e+00 -3.735210933e+00 2.96 -2.495627551e+00 -3.431982517e+00 -3.685900231e+00 2.98 -2.419296691e+00 -3.367615222e+00 -3.633165559e+00 3.00 -2.343592311e+00 -3.301244592e+00 -3.577384950e+00 3.02 -2.268647414e+00 -3.233167076e+00 -3.518913790e+00 3.04 -2.194593240e+00 -3.163662159e+00 -3.458086976e+00 3.06 -2.121547418e+00 -3.092993027e+00 -3.395220513e+00 3.08 -2.049614706e+00 -3.021407114e+00 -3.330612723e+00 3.10 -1.978887721e+00 -2.949136588e+00 -3.264536949e+00 3.12 -1.909447664e+00 -2.876398787e+00 -3.197099737e+00 3.14 -1.841351097e+00 -2.803396643e+00 -3.128484450e+00 3.16 -1.774634980e+00 -2.730319097e+00 -3.058919591e+00 3.18 -1.709350980e+00 -2.657341523e+00 -2.988620055e+00 3.20 -1.645542583e+00 -2.584626158e+00 -2.917787544e+00 3.22 -1.583245293e+00 -2.512322549e+00 -2.846610942e+00 3.24 -1.522487238e+00 -2.440568015e+00 -2.775266697e+00 3.26 -1.463286166e+00 -2.369488121e+00 -2.703912571e+00 3.28 -1.405633551e+00 -2.299197165e+00 -2.632657530e+00 3.30 -1.349534759e+00 -2.229743612e+00 -2.561635169e+00 3.32 -1.294994400e+00 -2.161136886e+00 -2.490976362e+00 3.34 -1.242012435e+00 -2.093461486e+00 -2.420801630e+00 3.36 -1.190584610e+00 -2.026793908e+00 -2.351221535e+00 3.38 -1.140702865e+00 -1.961202177e+00 -2.282337095e+00 3.40 -1.092355722e+00 -1.896746311e+00 -2.214240195e+00 3.42 -1.045528642e+00 -1.833478786e+00 -2.147013999e+00 3.44 -1.000204365e+00 -1.771444989e+00 -2.080733374e+00 3.46 -9.563632215e-01 -1.710676260e+00 -2.015465305e+00 3.48 -9.139834265e-01 -1.651176495e+00 -1.951269310e+00 3.50 -8.730413480e-01 -1.592969652e+00 -1.888197850e+00 3.52 -8.335117580e-01 -1.536077296e+00 -1.826296732e+00 3.54 -7.953680636e-01 -1.480516131e+00 -1.765605511e+00 3.56 -7.585825201e-01 -1.426298360e+00 -1.706157869e+00 3.58 -7.231264256e-01 -1.373432034e+00 -1.647982002e+00 3.60 -6.889703009e-01 -1.321921386e+00 -1.591100976e+00 3.62 -6.560840529e-01 -1.271767143e+00 -1.535533090e+00 3.64 -6.244371238e-01 -1.222966830e+00 -1.481292211e+00 3.66 -5.939986271e-01 -1.175515052e+00 -1.428388102e+00 3.68 -5.647374702e-01 -1.129403762e+00 -1.376826738e+00 3.70 -5.366224659e-01 -1.084622517e+00 -1.326610605e+00 3.72 -5.096224326e-01 -1.041158711e+00 -1.277738987e+00 3.74 -4.837062839e-01 -9.989978067e-01 -1.230208235e+00 3.76 -4.588431093e-01 -9.581235366e-01 -1.184012025e+00 3.78 -4.350022453e-01 -9.185181048e-01 -1.139141607e+00 3.80 -4.121533393e-01 -8.801623674e-01 -1.095577841e+00 3.82 -3.902664053e-01 -8.430360030e-01 -1.053258530e+00 3.84 -3.693118727e-01 -8.071176714e-01 -1.012162447e+00 3.86 -3.492606288e-01 -7.723851594e-01 -9.722753614e-01 3.88 -3.300840559e-01 -7.388155173e-01 -9.335816264e-01 3.90 -3.117540621e-01 -7.063851836e-01 -8.960643439e-01 3.92 -2.942431082e-01 -6.750701009e-01 -8.597055124e-01 3.94 -2.775242295e-01 -6.448458216e-01 -8.244861673e-01 3.96 -2.615710536e-01 -6.156876057e-01 -7.903865112e-01 3.98 -2.463578149e-01 -5.875705093e-01 -7.573860350e-01 4.00 -2.318593649e-01 -5.604694661e-01 -7.254549402e-01 4.02 -2.180511808e-01 -5.343593615e-01 -6.945613960e-01 4.04 -2.049093698e-01 -5.092150995e-01 -6.646839136e-01 4.06 -1.924106724e-01 -4.850116634e-01 -6.358007242e-01 4.08 -1.805324623e-01 -4.617241702e-01 -6.078898323e-01 4.10 -1.692527454e-01 -4.393279206e-01 -5.809290869e-01 4.12 -1.585501561e-01 -4.177984420e-01 -5.548962478e-01 4.14 -1.484039526e-01 -3.971115280e-01 -5.297690445e-01 4.16 -1.387940107e-01 -3.772432734e-01 -5.055252316e-01 4.18 -1.297008166e-01 -3.581701041e-01 -4.821426376e-01 4.20 -1.211054582e-01 -3.398688042e-01 -4.595992096e-01 4.22 -1.129896158e-01 -3.223165390e-01 -4.378730537e-01 4.24 -1.053355522e-01 -3.054908751e-01 -4.169424711e-01 4.26 -9.812610165e-02 -2.893697970e-01 -3.967859906e-01 4.28 -9.134465860e-02 -2.739317218e-01 -3.773823968e-01 4.30 -8.497516596e-02 -2.591555100e-01 -3.587107563e-01 4.32 -7.900210288e-02 -2.450204758e-01 -3.407504395e-01 4.34 -7.341047226e-02 -2.315063937e-01 -3.234811403e-01 4.36 -6.818578816e-02 -2.185935040e-01 -3.068828929e-01 4.38 -6.331281004e-02 -2.062625166e-01 -2.909360867e-01 4.40 -5.872818433e-02 -1.944946126e-01 -2.756214780e-01 4.42 -5.439544529e-02 -1.832714453e-01 -2.609202005e-01 4.44 -5.030522831e-02 -1.725751391e-01 -2.468137738e-01 4.46 -4.644848963e-02 -1.623882882e-01 -2.332841094e-01 4.48 -4.281649746e-02 -1.526939531e-01 -2.203135162e-01 4.50 -3.940072769e-02 -1.434756570e-01 -2.078847040e-01 4.52 -3.619278436e-02 -1.347173814e-01 -1.959807856e-01 4.54 -3.318505229e-02 -1.264035605e-01 -1.845852779e-01 4.56 -3.037014144e-02 -1.185190752e-01 -1.736821019e-01 4.58 -2.774084674e-02 -1.110492465e-01 -1.632555817e-01 4.60 -2.529016396e-02 -1.039798289e-01 -1.532904428e-01 4.62 -2.301130113e-02 -9.729700219e-02 -1.437718089e-01 4.64 -2.089768536e-02 -9.098736426e-02 -1.346851991e-01 4.66 -1.894296644e-02 -8.501395646e-02 -1.260165236e-01 4.68 -1.714101772e-02 -7.933131835e-02 -1.177520791e-01 4.70 -1.548593482e-02 -7.392924557e-02 -1.098785440e-01 4.72 -1.397197204e-02 -6.879810768e-02 -1.023829725e-01 4.74 -1.259349511e-02 -6.392857465e-02 -9.525278911e-02 4.76 -1.134533341e-02 -5.931160967e-02 -8.847578220e-02 4.78 -1.022251324e-02 -5.493846209e-02 -8.204009763e-02 4.80 -9.218236869e-03 -5.080066017e-02 -7.593423204e-02 4.82 -8.295626059e-03 -4.689000420e-02 -7.014702594e-02 4.84 -7.440363786e-03 -4.319855974e-02 -6.466765661e-02 4.86 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