# 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 = AgPt3 # 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 9.268867186e+06 nan nan 0.80 8.422539126e+06 nan nan 0.82 7.658429486e+06 nan nan 0.84 6.966947228e+06 nan nan 0.86 6.339825791e+06 8.908527651e+06 nan 0.88 5.769879982e+06 8.161673997e+06 9.086757094e+06 0.90 5.250894661e+06 7.481105977e+06 8.344059965e+06 0.92 4.777431752e+06 6.859786851e+06 7.665858391e+06 0.94 4.344750697e+06 6.291499648e+06 7.045436480e+06 0.96 3.948663424e+06 5.770824187e+06 6.476863675e+06 0.98 3.585470438e+06 5.292966211e+06 5.954943364e+06 1.00 3.251930486e+06 4.853733079e+06 5.475073491e+06 1.02 2.945186244e+06 4.449403621e+06 5.033226502e+06 1.04 2.662688242e+06 4.076687087e+06 4.625813947e+06 1.06 2.402174371e+06 3.732615460e+06 4.249630842e+06 1.08 2.161642619e+06 3.414589208e+06 3.901820155e+06 1.10 1.939288375e+06 3.120254418e+06 3.579826232e+06 1.12 1.733496007e+06 2.847513030e+06 3.281356778e+06 1.14 1.542813945e+06 2.594502044e+06 3.004387153e+06 1.16 1.365944607e+06 2.359525908e+06 2.747075275e+06 1.18 1.201728439e+06 2.141065655e+06 2.507784420e+06 1.20 1.049102979e+06 1.937770126e+06 2.285026406e+06 1.22 9.071265809e+05 1.748411180e+06 2.077456419e+06 1.24 7.749408350e+05 1.571866381e+06 1.883862916e+06 1.26 6.517623744e+05 1.407118546e+06 1.703134286e+06 1.28 5.368901030e+05 1.253247210e+06 1.534261862e+06 1.30 4.310989514e+05 1.109415370e+06 1.376338586e+06 1.32 3.419338213e+05 9.748605884e+05 1.228534418e+06 1.34 2.675840193e+05 8.488705115e+05 1.090086822e+06 1.36 2.085225234e+05 7.308205959e+05 9.603088148e+05 1.38 1.626526617e+05 6.201358320e+05 8.385756337e+05 1.40 1.269793708e+05 5.162873270e+05 7.243121376e+05 1.42 9.920263251e+04 4.213031372e+05 6.169847924e+05 1.44 7.755232421e+04 3.402747697e+05 5.161079425e+05 1.46 6.066129806e+04 2.716540247e+05 4.227755074e+05 1.48 4.747160518e+04 2.160257566e+05 3.430228348e+05 1.50 3.716327578e+04 1.719288914e+05 2.753052037e+05 1.52 2.910076106e+04 1.369338381e+05 2.202645365e+05 1.54 2.279132112e+04 1.091351688e+05 1.763606297e+05 1.56 1.785152891e+04 8.703258864e+04 1.413062128e+05 1.58 1.398233925e+04 6.944208398e+04 1.132900929e+05 1.60 1.095080050e+04 5.542979150e+04 9.087745769e+04 1.62 8.574979380e+03 4.425880149e+04 7.293398967e+04 1.64 6.712603883e+03 3.534797254e+04 5.855807671e+04 1.66 5.252625395e+03 2.823615446e+04 4.703113342e+04 1.68 4.108216892e+03 2.255719252e+04 3.778324076e+04 1.70 3.211295728e+03 1.802076860e+04 3.036018623e+04 1.72 2.508427041e+03 1.439607050e+04 2.439910909e+04 1.74 1.957781598e+03 1.149923382e+04 1.960982763e+04 1.76 1.526599627e+03 9.183658602e+03 1.576081298e+04 1.78 1.189122237e+03 7.332576956e+03 1.266673579e+04 1.80 9.251430203e+02 5.852803439e+03 1.017895838e+04 1.82 7.188046366e+02 4.669822889e+03 8.178088205e+03 1.84 5.576548570e+02 3.724088400e+03 6.568525291e+03 1.86 4.319177051e+02 2.968191781e+03 5.273814122e+03 1.88 3.339097396e+02 2.364204162e+03 4.232487102e+03 1.90 2.575997522e+02 1.881748834e+03 3.395060755e+03 1.92 1.982535561e+02 1.496516948e+03 2.721738141e+03 1.94 1.521539935e+02 1.189041132e+03 2.180516945e+03 1.96 1.163898414e+02 9.437653509e+02 1.745640145e+03 1.98 8.868042385e+01 7.482363315e+02 1.396364444e+03 2.00 6.723822493e+01 5.924756204e+02 1.115978385e+03 2.02 5.066449725e+01 4.684721241e+02 8.910112328e+02 2.04 3.786723509e+01 3.698315061e+02 7.106186591e+02 2.06 2.799857101e+01 2.914400709e+02 5.660475226e+02 2.08 2.039740969e+01 2.292030865e+02 4.502362503e+02 2.10 1.454867858e+01 1.798428620e+02 3.575447449e+02 2.12 1.005146282e+01 1.407308855e+02 2.834277589e+02 2.14 6.595127087e+00 1.097732168e+02 2.242214761e+02 2.16 3.939180715e+00 8.529855530e+01 1.769699931e+02 2.18 1.897698366e+00 6.596882757e+01 1.393006691e+02 2.20 3.272956553e-01 5.072115364e+01 1.093053636e+02 2.22 -8.823132533e-01 3.870813094e+01 8.544904566e+01 2.24 -1.815720427e+00 2.925555918e+01 6.649755195e+01 2.26 -2.537622152e+00 2.182641084e+01 5.146087216e+01 2.28 -3.097351003e+00 1.599383489e+01 3.954481422e+01 2.30 -3.532411580e+00 1.141927406e+01 3.011287453e+01 2.32 -3.871229349e+00 7.834326509e+00 2.265523091e+01 2.34 -4.135278273e+00 5.026590803e+00 1.676434468e+01 2.36 -4.340759074e+00 2.828279878e+00 1.211539227e+01 2.38 -4.499870078e+00 1.107160535e+00 8.449397790e+00 2.40 -4.621774121e+00 -2.407168036e-01 5.560219485e+00 2.42 -4.713373282e+00 -1.296927204e+00 3.284060398e+00 2.44 -4.779871852e+00 -2.125330215e+00 1.490732041e+00 2.46 -4.825225159e+00 -2.775809486e+00 7.744267000e-02 2.48 -4.852457879e+00 -3.287201274e+00 -1.036741487e+00 2.50 -4.863907549e+00 -3.689635210e+00 -1.915670823e+00 2.52 -4.861449390e+00 -4.006457749e+00 -2.609597499e+00 2.54 -4.846603668e+00 -4.255713668e+00 -3.157974457e+00 2.56 -4.820635591e+00 -4.451317995e+00 -3.591680644e+00 2.58 -4.784628017e+00 -4.603980959e+00 -3.934829574e+00 2.60 -4.739533558e+00 -4.721935983e+00 -4.206216206e+00 2.62 -4.686211281e+00 -4.811510861e+00 -4.420455541e+00 2.64 -4.625452026e+00 -4.877574346e+00 -4.588888679e+00 2.66 -4.557995385e+00 -4.923883951e+00 -4.720302041e+00 2.68 -4.484540685e+00 -4.953355639e+00 -4.821496716e+00 2.70 -4.405753714e+00 -4.968271900e+00 -4.897737734e+00 2.72 -4.322257610e+00 -4.970432403e+00 -4.953096761e+00 2.74 -4.234627457e+00 -4.961270245e+00 -4.990722084e+00 2.76 -4.143439975e+00 -4.941978368e+00 -5.013094878e+00 2.78 -4.049246199e+00 -4.913559934e+00 -5.022174832e+00 2.80 -3.952569605e+00 -4.876878509e+00 -5.019528088e+00 2.82 -3.853905495e+00 -4.832695652e+00 -5.006426347e+00 2.84 -3.753710193e+00 -4.781656363e+00 -4.983910595e+00 2.86 -3.652410323e+00 -4.724295677e+00 -4.952859169e+00 2.88 -3.550413109e+00 -4.661189567e+00 -4.914043098e+00 2.90 -3.448082994e+00 -4.592885334e+00 -4.868146193e+00 2.92 -3.345650261e+00 -4.519903745e+00 -4.815787900e+00 2.94 -3.243405397e+00 -4.442742883e+00 -4.757539716e+00 2.96 -3.141639137e+00 -4.361857890e+00 -4.693936746e+00 2.98 -3.040616012e+00 -4.277645120e+00 -4.625485594e+00 3.00 -2.940575243e+00 -4.190534945e+00 -4.552669576e+00 3.02 -2.841718169e+00 -4.100942319e+00 -4.475951970e+00 3.04 -2.744220346e+00 -4.009263537e+00 -4.395777870e+00 3.06 -2.648251647e+00 -3.915875877e+00 -4.312575091e+00 3.08 -2.553961256e+00 -3.821137211e+00 -4.226754440e+00 3.10 -2.461478871e+00 -3.725385676e+00 -4.138709590e+00 3.12 -2.370915946e+00 -3.628939431e+00 -4.048816749e+00 3.14 -2.282354882e+00 -3.532096546e+00 -3.957381855e+00 3.16 -2.195820063e+00 -3.435135008e+00 -3.864643671e+00 3.18 -2.111369247e+00 -3.338312874e+00 -3.770917022e+00 3.20 -2.029053652e+00 -3.241868539e+00 -3.676500902e+00 3.22 -1.948912445e+00 -3.146021126e+00 -3.581676088e+00 3.24 -1.870973783e+00 -3.050970982e+00 -3.486705130e+00 3.26 -1.795255204e+00 -2.956900261e+00 -3.391830668e+00 3.28 -1.721743523e+00 -2.863973584e+00 -3.297211560e+00 3.30 -1.650428753e+00 -2.772338758e+00 -3.203020227e+00 3.32 -1.581305028e+00 -2.682120479e+00 -3.109446024e+00 3.34 -1.514360001e+00 -2.593353017e+00 -3.016662211e+00 3.36 -1.449575574e+00 -2.506115810e+00 -2.924826484e+00 3.38 -1.386928560e+00 -2.420498860e+00 -2.834081557e+00 3.40 -1.326391311e+00 -2.336579783e+00 -2.744555795e+00 3.42 -1.267932293e+00 -2.254424604e+00 -2.656363864e+00 3.44 -1.211516611e+00 -2.174088526e+00 -2.569607418e+00 3.46 -1.157106499e+00 -2.095614629e+00 -2.484375794e+00 3.48 -1.104661767e+00 -2.019008257e+00 -2.400746712e+00 3.50 -1.054140200e+00 -1.944286760e+00 -2.318786980e+00 3.52 -1.005497938e+00 -1.871469886e+00 -2.238553187e+00 3.54 -9.586898059e-01 -1.800570262e+00 -2.160092391e+00 3.56 -9.136696167e-01 -1.731594017e+00 -2.083442785e+00 3.58 -8.703904494e-01 -1.664541368e+00 -2.008634350e+00 3.60 -8.288048925e-01 -1.599407181e+00 -1.935689487e+00 3.62 -7.888652654e-01 -1.536181497e+00 -1.864623616e+00 3.64 -7.505238147e-01 -1.474850026e+00 -1.795445763e+00 3.66 -7.137328893e-01 -1.415394609e+00 -1.728159106e+00 3.68 -6.784450945e-01 -1.357793651e+00 -1.662761508e+00 3.70 -6.446134282e-01 -1.302022528e+00 -1.599246010e+00 3.72 -6.121913994e-01 -1.248053957e+00 -1.537601305e+00 3.74 -5.811331320e-01 -1.195858344e+00 -1.477812175e+00 3.76 -5.513934535e-01 -1.145404108e+00 -1.419859912e+00 3.78 -5.229279716e-01 -1.096657972e+00 -1.363722702e+00 3.80 -4.956931386e-01 -1.049585239e+00 -1.309375989e+00 3.82 -4.696463050e-01 -1.004150038e+00 -1.256792812e+00 3.84 -4.447457645e-01 -9.603155536e-01 -1.205929127e+00 3.86 -4.209507889e-01 -9.180442325e-01 -1.156715589e+00 3.88 -3.982216565e-01 -8.772979736e-01 -1.109119775e+00 3.90 -3.765196731e-01 -8.380382985e-01 -1.063110086e+00 3.92 -3.558071865e-01 -8.002265064e-01 -1.018653836e+00 3.94 -3.360475954e-01 -7.638238132e-01 -9.757174498e-01 3.96 -3.172053546e-01 -7.287914770e-01 -9.342666507e-01 3.98 -2.992459738e-01 -6.950909096e-01 -8.942666250e-01 4.00 -2.821360144e-01 -6.626837763e-01 -8.556786313e-01 4.02 -2.658430819e-01 -6.315320838e-01 -8.184526789e-01 4.04 -2.503358160e-01 -6.015982580e-01 -7.825521252e-01 4.06 -2.355838773e-01 -5.728452126e-01 -7.479419704e-01 4.08 -2.215579329e-01 -5.452364078e-01 -7.145873114e-01 4.10 -2.082296391e-01 -5.187359019e-01 -6.824534301e-01 4.12 -1.955716236e-01 -4.933083950e-01 -6.515058723e-01 4.14 -1.835574649e-01 -4.689192659e-01 -6.217105177e-01 4.16 -1.721616726e-01 -4.455346033e-01 -5.930336416e-01 4.18 -1.613596648e-01 -4.231212308e-01 -5.654419693e-01 4.20 -1.511277462e-01 -4.016467275e-01 -5.389027232e-01 4.22 -1.414430850e-01 -3.810794432e-01 -5.133836636e-01 4.24 -1.322836899e-01 -3.613885103e-01 -4.888531238e-01 4.26 -1.236283865e-01 -3.425438513e-01 -4.652800396e-01 4.28 -1.154567934e-01 -3.245161834e-01 -4.426339742e-01 4.30 -1.077492992e-01 -3.072770199e-01 -4.208851386e-01 4.32 -1.004870392e-01 -2.907986691e-01 -4.000044073e-01 4.34 -9.365186967e-02 -2.750542304e-01 -3.799633313e-01 4.36 -8.722634679e-02 -2.600175892e-01 -3.607341472e-01 4.38 -8.119370343e-02 -2.456634087e-01 -3.422897835e-01 4.40 -7.553782667e-02 -2.319671215e-01 -3.246038637e-01 4.42 -7.024259157e-02 -2.189049184e-01 -3.076507079e-01 4.44 -6.525172147e-02 -2.064537372e-01 -2.914053316e-01 4.46 -6.052855666e-02 -1.945912497e-01 -2.758434423e-01 4.48 -5.606278189e-02 -1.832958480e-01 -2.609414352e-01 4.50 -5.184443329e-02 -1.725466303e-01 -2.466763867e-01 4.52 -4.786388847e-02 -1.623233857e-01 -2.330260470e-01 4.54 -4.411186466e-02 -1.526065790e-01 -2.199688311e-01 4.56 -4.057941368e-02 -1.433773347e-01 -2.074838090e-01 4.58 -3.725791526e-02 -1.346174205e-01 -1.955506955e-01 4.60 -3.413906935e-02 -1.263092318e-01 -1.841498382e-01 4.62 -3.121488793e-02 -1.184357742e-01 -1.732622058e-01 4.64 -2.847768616e-02 -1.109806478e-01 -1.628693757e-01 4.66 -2.591982134e-02 -1.039280303e-01 -1.529535204e-01 4.68 -2.353384440e-02 -9.726266035e-02 -1.434973950e-01 4.70 -2.131319148e-02 -9.095889971e-02 -1.344843228e-01 4.72 -1.925150803e-02 -8.497591114e-02 -1.258981822e-01 4.74 -1.734263506e-02 -7.930049715e-02 -1.177233922e-01 4.76 -1.558061237e-02 -7.392124308e-02 -1.099448987e-01 4.78 -1.395967991e-02 -6.882713756e-02 -1.025481607e-01 4.80 -1.247427757e-02 -6.400756017e-02 -9.551913557e-02 4.82 -1.111904364e-02 -5.945226928e-02 -8.884426664e-02 4.84 -9.888780454e-03 -5.515139005e-02 -8.251046717e-02 4.86 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