# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Ko-W-S-Lee-J-S-Kim-D-H--Ag-Cu-Sn # implementation = 2021--Ko-W-S--Ag-Cu-Sn--LAMMPS--ipr1 # composition = Cu3Sn # 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 2026-06-16 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 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 3.758235957e+02 nan nan 0.92 3.503949854e+02 nan nan 0.94 3.265787085e+02 nan nan 0.96 3.042768284e+02 nan nan 0.98 2.833971748e+02 3.778237131e+02 nan 1.00 2.638530106e+02 3.542408433e+02 nan 1.02 2.455627167e+02 3.320367500e+02 3.794226536e+02 1.04 2.284494964e+02 3.111341135e+02 3.562125256e+02 1.06 2.124410960e+02 2.914598338e+02 3.343399654e+02 1.08 1.974695420e+02 2.729448030e+02 3.137305590e+02 1.10 1.834708932e+02 2.555236896e+02 2.943139340e+02 1.12 1.703850071e+02 2.391347356e+02 2.760235443e+02 1.14 1.581553201e+02 2.237195636e+02 2.587964655e+02 1.16 1.467286399e+02 2.092229943e+02 2.425732018e+02 1.18 1.360549500e+02 1.955928745e+02 2.272975019e+02 1.20 1.260872258e+02 1.827799136e+02 2.129161860e+02 1.22 1.167812604e+02 1.707375296e+02 1.993789806e+02 1.24 1.080955015e+02 1.594217027e+02 1.866383628e+02 1.26 9.999089653e+01 1.487908377e+02 1.746494127e+02 1.28 9.243074733e+01 1.388056328e+02 1.633696733e+02 1.30 8.538057306e+01 1.294289562e+02 1.527590180e+02 1.32 7.880798081e+01 1.206257289e+02 1.427795252e+02 1.34 7.268254354e+01 1.123628142e+02 1.333953595e+02 1.36 6.697568524e+01 1.046089127e+02 1.245726591e+02 1.38 6.166057240e+01 9.733446319e+01 1.162794294e+02 1.40 5.671201182e+01 9.051154891e+01 1.084854418e+02 1.42 5.210635425e+01 8.411380864e+01 1.011621387e+02 1.44 4.782140342e+01 7.811635256e+01 9.428254271e+01 1.46 4.383633046e+01 7.249568279e+01 8.782117124e+01 1.48 4.013159300e+01 6.722961803e+01 8.175395546e+01 1.50 3.668885907e+01 6.229722216e+01 7.605816355e+01 1.52 3.349093526e+01 5.767873688e+01 7.071232826e+01 1.54 3.052169907e+01 5.335551770e+01 6.569617812e+01 1.56 2.776603502e+01 4.930997346e+01 6.099057245e+01 1.58 2.520977460e+01 4.552550909e+01 5.657743985e+01 1.60 2.283963953e+01 4.198647132e+01 5.243971994e+01 1.62 2.064318834e+01 3.867809736e+01 4.856130826e+01 1.64 1.860876607e+01 3.558646631e+01 4.492700417e+01 1.66 1.672545680e+01 3.269845309e+01 4.152246143e+01 1.68 1.498303899e+01 3.000168486e+01 3.833414156e+01 1.70 1.337194339e+01 2.748449983e+01 3.534926965e+01 1.72 1.188321338e+01 2.513590810e+01 3.255579249e+01 1.74 1.050846764e+01 2.294555472e+01 2.994233911e+01 1.76 9.239864984e+00 2.090368471e+01 2.749818329e+01 1.78 8.070071264e+00 1.900110983e+01 2.521320813e+01 1.80 6.992228203e+00 1.722917728e+01 2.307787262e+01 1.82 5.999924052e+00 1.557973995e+01 2.108317987e+01 1.84 5.087165994e+00 1.404512830e+01 1.922064713e+01 1.86 4.248354161e+00 1.261812378e+01 1.748227748e+01 1.88 3.478257191e+00 1.129193358e+01 1.586053290e+01 1.90 2.771989244e+00 1.006016687e+01 1.434830896e+01 1.92 2.124988369e+00 8.916812173e+00 1.293891076e+01 1.94 1.532996177e+00 7.856216045e+00 1.162603021e+01 1.96 9.920387150e-01 6.873062885e+00 1.040372458e+01 1.98 4.984085038e-01 5.962355814e+00 9.266396109e+00 2.00 4.864763323e-02 5.119398595e+00 8.208772851e+00 2.02 -3.604680988e-01 4.339778553e+00 7.225890455e+00 2.04 -7.319441097e-01 3.619350386e+00 6.313074971e+00 2.06 -1.068581036e+00 2.954220880e+00 5.465926592e+00 2.08 -1.372987893e+00 2.340734455e+00 4.680304291e+00 2.10 -1.647594428e+00 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-3.020289505e+00 -2.589993286e+00 2.48 -3.450863957e+00 -3.102063573e+00 -2.722106237e+00 2.50 -3.446080511e+00 -3.172803253e+00 -2.839845246e+00 2.52 -3.436541377e+00 -3.233360422e+00 -2.944245132e+00 2.54 -3.422708252e+00 -3.284529338e+00 -3.036274613e+00 2.56 -3.405006383e+00 -3.327050235e+00 -3.116840230e+00 2.58 -3.383827713e+00 -3.361623948e+00 -3.186790066e+00 2.60 -3.359533265e+00 -3.388982293e+00 -3.246917249e+00 2.62 -3.332455366e+00 -3.409571603e+00 -3.297963250e+00 2.64 -3.303199964e+00 -3.423923383e+00 -3.340620998e+00 2.66 -3.274720715e+00 -3.432630927e+00 -3.375537829e+00 2.68 -3.243536513e+00 -3.436174917e+00 -3.403318240e+00 2.70 -3.207930392e+00 -3.435001946e+00 -3.424526513e+00 2.72 -3.170849146e+00 -3.429526725e+00 -3.439689175e+00 2.74 -3.132535958e+00 -3.420134158e+00 -3.449297311e+00 2.76 -3.093460123e+00 -3.407181298e+00 -3.453808760e+00 2.78 -3.053292008e+00 -3.390999177e+00 -3.453650164e+00 2.80 -3.012016919e+00 -3.371894528e+00 -3.449218919e+00 2.82 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-2.958576167e+00 3.18 -2.195704611e+00 -2.731620759e+00 -2.920476349e+00 3.20 -2.156688504e+00 -2.692301914e+00 -2.882079385e+00 3.22 -2.118190717e+00 -2.653060983e+00 -2.843462005e+00 3.24 -2.080223933e+00 -2.613942504e+00 -2.804694417e+00 3.26 -2.042799035e+00 -2.574986720e+00 -2.765840771e+00 3.28 -2.005925293e+00 -2.536229918e+00 -2.726959593e+00 3.30 -1.969610519e+00 -2.497704740e+00 -2.688104181e+00 3.32 -1.933861215e+00 -2.459440483e+00 -2.649322989e+00 3.34 -1.898682716e+00 -2.421463366e+00 -2.610659977e+00 3.36 -1.864079303e+00 -2.383796784e+00 -2.572154943e+00 3.38 -1.830054328e+00 -2.346461544e+00 -2.533843828e+00 3.40 -1.796610308e+00 -2.309476085e+00 -2.495759010e+00 3.42 -1.763749021e+00 -2.272856674e+00 -2.457929566e+00 3.44 -1.731471595e+00 -2.236617600e+00 -2.420381529e+00 3.46 -1.699778577e+00 -2.200771348e+00 -2.383138120e+00 3.48 -1.668670008e+00 -2.165328753e+00 -2.346145631e+00 3.50 -1.638145483e+00 -2.130299157e+00 -2.307515113e+00 3.52 -1.608204204e+00 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