# 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 = CuNi3 # 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 4.150594227e+06 nan nan 0.80 3.718971580e+06 nan nan 0.82 3.329282266e+06 nan nan 0.84 2.976646177e+06 nan nan 0.86 2.656828132e+06 3.967228406e+06 nan 0.88 2.366155602e+06 3.586319668e+06 4.060252457e+06 0.90 2.101463745e+06 3.239205277e+06 3.681425402e+06 0.92 1.859971437e+06 2.922330478e+06 3.335505504e+06 0.94 1.639256119e+06 2.632526959e+06 3.019086075e+06 0.96 1.437185758e+06 2.366996779e+06 2.729117809e+06 0.98 1.251905320e+06 2.123301421e+06 2.462929354e+06 1.00 1.081758391e+06 1.899284794e+06 2.218153414e+06 1.02 9.252449089e+05 1.693039015e+06 1.992738712e+06 1.04 7.810745290e+05 1.502879663e+06 1.784859907e+06 1.06 6.481116657e+05 1.327312972e+06 1.592900763e+06 1.08 5.253156470e+05 1.165018900e+06 1.415409459e+06 1.10 4.117793579e+05 1.014838048e+06 1.251095660e+06 1.12 3.140139677e+05 8.756871988e+05 1.098797109e+06 1.14 2.389834036e+05 7.465945043e+05 9.574523437e+05 1.16 1.822304309e+05 6.266795361e+05 8.261223899e+05 1.18 1.391991886e+05 5.151813405e+05 7.039573718e+05 1.20 1.064972623e+05 4.113872999e+05 5.901955303e+05 1.22 8.159411959e+04 3.209135598e+05 4.841600162e+05 1.24 6.259399626e+04 2.497189088e+05 3.855159479e+05 1.26 4.807027625e+04 1.946313731e+05 3.022722001e+05 1.28 3.695137552e+04 1.519261794e+05 2.369630051e+05 1.30 2.842724774e+04 1.187546480e+05 1.860444019e+05 1.32 2.188469811e+04 9.294232933e+04 1.462714978e+05 1.34 1.685694491e+04 7.282300800e+04 1.151544143e+05 1.36 1.298865024e+04 5.711620940e+04 9.076769796e+04 1.38 1.000999640e+04 4.483830507e+04 7.161971991e+04 1.40 7.714683928e+03 3.522897402e+04 5.656337728e+04 1.42 5.945108371e+03 2.769895193e+04 4.470667467e+04 1.44 4.580355088e+03 2.179003576e+04 3.535898671e+04 1.46 3.527377126e+03 1.714771737e+04 2.798215339e+04 1.48 2.714830454e+03 1.349723880e+04 2.215493800e+04 1.50 2.087862541e+03 1.062474953e+04 1.754769600e+04 1.52 1.604090478e+03 8.363309478e+03 1.390247015e+04 1.54 1.230950961e+03 6.582378322e+03 1.101649657e+04 1.56 9.433293348e+02 5.179506734e+03 8.730057935e+03 1.58 7.217914907e+02 4.074315752e+03 6.917845025e+03 1.60 5.512469262e+02 3.203616147e+03 5.481000803e+03 1.62 4.200844880e+02 2.517689649e+03 4.341539663e+03 1.64 3.193261167e+02 1.977228790e+03 3.437548772e+03 1.66 2.420272483e+02 1.551437691e+03 2.720289273e+03 1.68 1.828225744e+02 1.216084767e+03 2.151210895e+03 1.70 1.375603604e+02 9.520699685e+02 1.699766360e+03 1.72 1.030258669e+02 7.443567164e+02 1.341786108e+03 1.74 7.672739399e+01 5.810151680e+02 1.058041436e+03 1.76 5.674591758e+01 4.526746709e+02 8.332679867e+02 1.78 4.160023784e+01 3.519372226e+02 6.553316271e+02 1.80 3.014580585e+01 2.729554275e+02 5.145826040e+02 1.82 2.150604427e+01 2.111163649e+02 4.033499735e+02 1.84 1.500759270e+01 1.627718758e+02 3.155274147e+02 1.86 1.013406878e+01 1.250383249e+02 2.462189746e+02 1.88 6.488710321e+00 9.563781525e+01 1.915860221e+02 1.90 3.769886728e+00 7.276576017e+01 1.485783242e+02 1.92 1.747504844e+00 5.500497675e+01 1.147688073e+02 1.94 2.464626883e-01 4.124145023e+01 8.824055647e+01 1.96 -8.659643163e-01 3.059388198e+01 6.746755183e+01 1.98 -1.689934143e+00 2.237807474e+01 5.123605987e+01 2.00 -2.300656124e+00 1.605509106e+01 3.858063911e+01 2.02 -2.754294900e+00 1.120218133e+01 2.873610677e+01 2.04 -3.092536034e+00 7.488467494e+00 2.109736203e+01 2.06 -3.346107843e+00 4.654762849e+00 1.518519824e+01 2.08 -3.537475060e+00 2.498573337e+00 1.062144046e+01 2.10 -3.682876499e+00 8.621580018e-01 7.107964971e+00 2.12 -3.794023334e+00 -3.770217951e-01 4.410173691e+00 2.14 -3.879214958e+00 -1.313689430e+00 2.343911222e+00 2.16 -3.944312228e+00 -2.020785230e+00 7.650107695e-01 2.18 -3.993406396e+00 -2.554309619e+00 -4.391150905e-01 2.20 -4.029174353e+00 -2.957026674e+00 -1.356103216e+00 2.22 -4.053546221e+00 -3.261432562e+00 -2.053478567e+00 2.24 -4.067881937e+00 -3.492078737e+00 -2.583438217e+00 2.26 -4.073128058e+00 -3.667391132e+00 -2.986135361e+00 2.28 -4.069962385e+00 -3.801097080e+00 -3.292302808e+00 2.30 -4.058896941e+00 -3.903341069e+00 -3.525391024e+00 2.32 -4.040349696e+00 -3.981554053e+00 -3.703185463e+00 2.34 -4.014693061e+00 -4.041128025e+00 -3.839083230e+00 2.36 -3.982285319e+00 -4.085937028e+00 -3.943100349e+00 2.38 -3.943489682e+00 -4.118737408e+00 -4.022663883e+00 2.40 -3.898684546e+00 -4.141473368e+00 -4.083232558e+00 2.42 -3.848267639e+00 -4.155508537e+00 -4.128780985e+00 2.44 -3.792634966e+00 -4.161778702e+00 -4.162143503e+00 2.46 -3.732167422e+00 -4.160913508e+00 -4.185293971e+00 2.48 -3.667306065e+00 -4.153410564e+00 -4.199689723e+00 2.50 -3.598496846e+00 -4.139649740e+00 -4.206358755e+00 2.52 -3.526163560e+00 -4.119920369e+00 -4.205997886e+00 2.54 -3.450750871e+00 -4.094487552e+00 -4.199130876e+00 2.56 -3.372701509e+00 -4.063457528e+00 -4.186152714e+00 2.58 -3.292447571e+00 -4.027056895e+00 -4.167374307e+00 2.60 -3.210389661e+00 -3.985566214e+00 -4.143058953e+00 2.62 -3.126747302e+00 -3.939220262e+00 -4.113447677e+00 2.64 -3.041848301e+00 -3.888255103e+00 -4.078776154e+00 2.66 -2.956047131e+00 -3.832982605e+00 -4.039285359e+00 2.68 -2.869677289e+00 -3.773724741e+00 -3.995227590e+00 2.70 -2.783043486e+00 -3.710811300e+00 -3.946869174e+00 2.72 -2.696390312e+00 -3.644577196e+00 -3.894490823e+00 2.74 -2.609977306e+00 -3.575359575e+00 -3.838386424e+00 2.76 -2.524050175e+00 -3.503494910e+00 -3.778860805e+00 2.78 -2.438791561e+00 -3.429316224e+00 -3.716226932e+00 2.80 -2.354338517e+00 -3.353150538e+00 -3.650802825e+00 2.82 -2.270871949e+00 -3.275316588e+00 -3.582781379e+00 2.84 -2.188554692e+00 -3.196122851e+00 -3.512345032e+00 2.86 -2.107531583e+00 -3.115865878e+00 -3.439800517e+00 2.88 -2.027928508e+00 -3.034828941e+00 -3.365444551e+00 2.90 -1.949812919e+00 -2.953280972e+00 -3.289470804e+00 2.92 -1.873263106e+00 -2.871475781e+00 -3.212115718e+00 2.94 -1.798362187e+00 -2.789651516e+00 -3.133646024e+00 2.96 -1.725180254e+00 -2.708030360e+00 -3.054316980e+00 2.98 -1.653775303e+00 -2.626796484e+00 -2.974371561e+00 3.00 -1.584194145e+00 -2.546007440e+00 -2.894039841e+00 3.02 -1.516473293e+00 -2.465814016e+00 -2.813538571e+00 3.04 -1.450639812e+00 -2.386374213e+00 -2.733070919e+00 3.06 -1.386712137e+00 -2.307820884e+00 -2.652826366e+00 3.08 -1.324700852e+00 -2.230223498e+00 -2.572980739e+00 3.10 -1.264609429e+00 -2.153689641e+00 -2.493696349e+00 3.12 -1.206434926e+00 -2.078323862e+00 -2.415122238e+00 3.14 -1.150168646e+00 -2.004218937e+00 -2.337394510e+00 3.16 -1.095796750e+00 -1.931456482e+00 -2.260636720e+00 3.18 -1.043300833e+00 -1.860107578e+00 -2.184960328e+00 3.20 -9.926584620e-01 -1.790233393e+00 -2.110465194e+00 3.22 -9.438436684e-01 -1.721885814e+00 -2.037240102e+00 3.24 -8.968274119e-01 -1.655108056e+00 -1.965363313e+00 3.26 -8.515780020e-01 -1.589935273e+00 -1.894903122e+00 3.28 -8.080614885e-01 -1.526395146e+00 -1.825918433e+00 3.30 -7.662420188e-01 -1.464508450e+00 -1.758459331e+00 3.32 -7.260821640e-01 -1.404289609e+00 -1.692567646e+00 3.34 -6.875432174e-01 -1.345747219e+00 -1.628277512e+00 3.36 -6.505854641e-01 -1.288884553e+00 -1.565615916e+00 3.38 -6.151684266e-01 -1.233700040e+00 -1.504603223e+00 3.40 -5.812510855e-01 -1.180187716e+00 -1.445253694e+00 3.42 -5.487920788e-01 -1.128337655e+00 -1.387575973e+00 3.44 -5.177498799e-01 -1.078136370e+00 -1.331560577e+00 3.46 -4.880829574e-01 -1.029567191e+00 -1.277136994e+00 3.48 -4.597499160e-01 -9.826106215e-01 -1.224291485e+00 3.50 -4.327096229e-01 -9.372446634e-01 -1.173017151e+00 3.52 -4.069213172e-01 -8.934451289e-01 -1.123303715e+00 3.54 -3.823447075e-01 -8.511859228e-01 -1.075121214e+00 3.56 -3.589400551e-01 -8.104393074e-01 -1.028432509e+00 3.58 -3.366682477e-01 -7.711761453e-01 -9.832200707e-01 3.60 -3.154908606e-01 -7.333661239e-01 -9.394643478e-01 3.62 -2.953702099e-01 -6.969779615e-01 -8.971439245e-01 3.64 -2.762693961e-01 -6.619795954e-01 -8.562357562e-01 3.66 -2.581523407e-01 -6.283383546e-01 -8.167153872e-01 3.68 -2.409838149e-01 -5.960211165e-01 -7.785571523e-01 3.70 -2.247294625e-01 -5.649944499e-01 -7.417343630e-01 3.72 -2.093558166e-01 -5.352247433e-01 -7.062194789e-01 3.74 -1.948303118e-01 -5.066783221e-01 -6.719842657e-01 3.76 -1.811212916e-01 -4.793215533e-01 -6.389999392e-01 3.78 -1.681980109e-01 -4.531209388e-01 -6.072372981e-01 3.80 -1.560306364e-01 -4.280432003e-01 -5.766668438e-01 3.82 -1.445902427e-01 -4.040553524e-01 -5.472588905e-01 3.84 -1.338488056e-01 -3.811247696e-01 -5.189836641e-01 3.86 -1.237791939e-01 -3.592192433e-01 -4.918113926e-01 3.88 -1.143551579e-01 -3.383070329e-01 -4.657123865e-01 3.90 -1.055513169e-01 -3.183569090e-01 -4.406571115e-01 3.92 -9.734314469e-02 -2.993381911e-01 -4.166162537e-01 3.94 -8.970695422e-02 -2.812207799e-01 -3.935607768e-01 3.96 -8.261988151e-02 -2.639751836e-01 -3.714619741e-01 3.98 -7.600079884e-02 -2.475725400e-01 -3.502915126e-01 4.00 -6.977304062e-02 -2.319846346e-01 -3.300214731e-01 4.02 -6.392157725e-02 -2.171839140e-01 -3.106243841e-01 4.04 -5.843184601e-02 -2.031434965e-01 -2.920732514e-01 4.06 -5.328960326e-02 -1.898371796e-01 -2.743415829e-01 4.08 -4.848152118e-02 -1.772394437e-01 -2.574034103e-01 4.10 -4.399473533e-02 -1.653254547e-01 -2.412333056e-01 4.12 -3.981677086e-02 -1.540710626e-01 -2.258063960e-01 4.14 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