# 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 = CuPt3 # 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 7.661757759e+06 nan nan 0.80 6.955172610e+06 nan nan 0.82 6.317475619e+06 nan nan 0.84 5.740611959e+06 nan nan 0.86 5.217624437e+06 7.361118049e+06 nan 0.88 4.742498575e+06 6.737683841e+06 7.513614053e+06 0.90 4.310040520e+06 6.169747577e+06 6.893554289e+06 0.92 3.915676449e+06 5.651433905e+06 6.327493858e+06 0.94 3.555428715e+06 5.177537131e+06 5.809815585e+06 0.96 3.225794638e+06 4.743498796e+06 5.335569743e+06 0.98 2.923682914e+06 4.345292160e+06 4.900380493e+06 1.00 2.646372902e+06 3.979421856e+06 4.500393830e+06 1.02 2.391445483e+06 3.642758706e+06 4.132221958e+06 1.04 2.156771001e+06 3.332532861e+06 3.792862647e+06 1.06 1.940450917e+06 3.046262078e+06 3.479620927e+06 1.08 1.740818451e+06 2.781752798e+06 3.190100641e+06 1.10 1.556368096e+06 2.537054619e+06 2.922171564e+06 1.12 1.385753612e+06 2.310418613e+06 2.673917097e+06 1.14 1.227757167e+06 2.100275512e+06 2.443643560e+06 1.16 1.081284614e+06 1.905198451e+06 2.229808508e+06 1.18 9.453609165e+05 1.723913878e+06 2.031023697e+06 1.20 8.191006458e+05 1.555292266e+06 1.846044218e+06 1.22 7.017055365e+05 1.398305842e+06 1.673745335e+06 1.24 5.924509539e+05 1.252001231e+06 1.513103982e+06 1.26 4.906875612e+05 1.115527769e+06 1.363196313e+06 1.28 3.958324410e+05 9.881137498e+05 1.223181191e+06 1.30 3.120216400e+05 8.690694470e+05 1.092298200e+06 1.32 2.442270872e+05 7.577587187e+05 9.698505052e+05 1.34 1.895091135e+05 6.535851440e+05 8.552045152e+05 1.36 1.470197344e+05 5.560246037e+05 7.477909581e+05 1.38 1.141547198e+05 4.645981422e+05 6.470881904e+05 1.40 8.869942818e+04 3.791173605e+05 5.526103182e+05 1.42 6.896172290e+04 3.046078574e+05 4.639007287e+05 1.44 5.364370721e+04 2.431168985e+05 3.805563482e+05 1.46 4.174586191e+04 1.925976747e+05 3.070922205e+05 1.48 3.249767875e+04 1.525442704e+05 2.463735134e+05 1.50 2.530324380e+04 1.209029855e+05 1.963489337e+05 1.52 1.970212222e+04 9.588242176e+04 1.564913629e+05 1.54 1.533944586e+04 7.608010210e+04 1.248039942e+05 1.56 1.194059927e+04 6.039490747e+04 9.959008373e+04 1.58 9.292218619e+03 4.796131685e+04 7.951002160e+04 1.60 7.228441188e+03 3.809749621e+04 6.350461665e+04 1.62 5.620183777e+03 3.026696795e+04 5.073835931e+04 1.64 4.366971380e+03 2.404797568e+04 4.054965694e+04 1.66 3.390635285e+03 1.910713205e+04 3.241314263e+04 1.68 2.630282372e+03 1.518022024e+04 2.591202422e+04 1.70 2.038426367e+03 1.205828888e+04 2.071534536e+04 1.72 1.578001064e+03 9.576061833e+03 1.656014412e+04 1.74 1.220068217e+03 7.602387282e+03 1.323666674e+04 1.76 9.420313633e+02 6.033126456e+03 1.057803173e+04 1.78 7.262085280e+02 4.785445503e+03 8.451068206e+03 1.80 5.588273573e+02 3.793541161e+03 6.749423894e+03 1.82 4.291605154e+02 3.005133077e+03 5.388035867e+03 1.84 3.288336853e+02 2.378609548e+03 4.298871560e+03 1.86 2.513132755e+02 1.880969068e+03 3.427716446e+03 1.88 1.914917798e+02 1.485920611e+03 2.731159256e+03 1.90 1.454020156e+02 1.172514700e+03 2.174367289e+03 1.92 1.099523976e+02 9.240545033e+02 1.729437844e+03 1.94 8.273248526e+01 7.272078654e+02 1.374095193e+03 1.96 6.186949756e+01 5.713689116e+02 1.090489189e+03 1.98 4.590823741e+01 4.481202535e+02 8.643072777e+02 2.00 3.371779935e+01 3.507475433e+02 6.840713014e+02 2.02 2.442302354e+01 2.739068821e+02 5.405775288e+02 2.04 1.734666451e+01 2.133486105e+02 4.264470637e+02 2.06 1.196707601e+01 1.656888784e+02 3.357500701e+02 2.08 7.882195754e+00 1.282351142e+02 2.637359899e+02 2.10 4.782755675e+00 9.884630761e+01 2.066307889e+02 2.12 2.431520540e+00 7.581818673e+01 1.614109173e+02 2.14 6.470560514e-01 5.780254949e+01 1.256548832e+02 2.16 -7.089452386e-01 4.373151507e+01 9.742494474e+01 2.18 -1.741552687e+00 3.275702699e+01 7.517188457e+01 2.20 -2.530322877e+00 2.421186152e+01 5.765836940e+01 2.22 -3.135097493e+00 1.756933335e+01 4.389711039e+01 2.24 -3.600792006e+00 1.241377992e+01 3.310066378e+01 2.26 -3.960996272e+00 8.417803196e+00 2.464271465e+01 2.28 -4.240717325e+00 5.324078604e+00 1.802723432e+01 2.30 -4.458490772e+00 2.930827051e+00 1.286060542e+01 2.32 -4.627995553e+00 1.080223253e+00 8.830945919e+00 2.34 -4.759281341e+00 -3.508430632e-01 5.691630338e+00 2.36 -4.859738394e+00 -1.458139039e+00 3.248058634e+00 2.38 -4.934782208e+00 -2.315900320e+00 1.347041960e+00 2.40 -4.988399806e+00 -2.981458887e+00 -1.317040206e-01 2.42 -5.023577433e+00 -3.498968381e+00 -1.282369313e+00 2.44 -5.042555700e+00 -3.902306136e+00 -2.178582576e+00 2.46 -5.047064425e+00 -4.217364034e+00 -2.877532771e+00 2.48 -5.038496486e+00 -4.463852938e+00 -3.423505790e+00 2.50 -5.018001917e+00 -4.656719265e+00 -3.850776312e+00 2.52 -4.986554895e+00 -4.807247499e+00 -4.185763584e+00 2.54 -4.945040993e+00 -4.923936610e+00 -4.448731856e+00 2.56 -4.894281122e+00 -5.013176906e+00 -4.655192999e+00 2.58 -4.835052237e+00 -5.079769698e+00 -4.816979595e+00 2.60 -4.768101927e+00 -5.127328233e+00 -4.943086827e+00 2.62 -4.694156473e+00 -5.158551962e+00 -5.040333743e+00 2.64 -4.613924438e+00 -5.175482676e+00 -5.113880688e+00 2.66 -4.528097344e+00 -5.179727482e+00 -5.167632427e+00 2.68 -4.437348551e+00 -5.172556621e+00 -5.204550693e+00 2.70 -4.342331130e+00 -5.155001823e+00 -5.226895163e+00 2.72 -4.243660956e+00 -5.127918379e+00 -5.236396199e+00 2.74 -4.141906250e+00 -5.092031913e+00 -5.234387772e+00 2.76 -4.037639717e+00 -5.048014278e+00 -5.221958081e+00 2.78 -3.931370124e+00 -4.996487439e+00 -5.200003945e+00 2.80 -3.823551207e+00 -4.938039734e+00 -5.169287595e+00 2.82 -3.714658188e+00 -4.873237033e+00 -5.130478881e+00 2.84 -3.605134699e+00 -4.802594541e+00 -5.084185368e+00 2.86 -3.495391818e+00 -4.726556706e+00 -5.030973252e+00 2.88 -3.385806758e+00 -4.645637923e+00 -4.971378529e+00 2.90 -3.276678426e+00 -4.560345805e+00 -4.905850443e+00 2.92 -3.168178703e+00 -4.471175959e+00 -4.834857190e+00 2.94 -3.060560160e+00 -4.378610607e+00 -4.758884486e+00 2.96 -2.954076966e+00 -4.283116976e+00 -4.678408770e+00 2.98 -2.848956456e+00 -4.185145632e+00 -4.593897057e+00 3.00 -2.745400402e+00 -4.085128909e+00 -4.505806030e+00 3.02 -2.643572104e+00 -3.983479510e+00 -4.414580683e+00 3.04 -2.543609486e+00 -3.880589348e+00 -4.320652785e+00 3.06 -2.445646354e+00 -3.776820999e+00 -4.224439306e+00 3.08 -2.349796704e+00 -3.672479059e+00 -4.126340940e+00 3.10 -2.256156093e+00 -3.567880257e+00 -4.026740790e+00 3.12 -2.164803028e+00 -3.463325133e+00 -3.926003274e+00 3.14 -2.075800313e+00 -3.359091685e+00 -3.824416042e+00 3.16 -1.989196347e+00 -3.255435663e+00 -3.722193678e+00 3.18 -1.905026385e+00 -3.152591034e+00 -3.619634045e+00 3.20 -1.823313724e+00 -3.050770577e+00 -3.517017672e+00 3.22 -1.744070841e+00 -2.950166595e+00 -3.414605281e+00 3.24 -1.667300466e+00 -2.850951714e+00 -3.312637959e+00 3.26 -1.592996589e+00 -2.753279761e+00 -3.211337481e+00 3.28 -1.521145403e+00 -2.657286689e+00 -3.110906746e+00 3.30 -1.451726189e+00 -2.563091531e+00 -3.011530331e+00 3.32 -1.384712133e+00 -2.470789825e+00 -2.913375120e+00 3.34 -1.320071087e+00 -2.380381903e+00 -2.816591006e+00 3.36 -1.257766266e+00 -2.291918305e+00 -2.721311649e+00 3.38 -1.197756900e+00 -2.205462431e+00 -2.627655270e+00 3.40 -1.139998817e+00 -2.121065987e+00 -2.535725468e+00 3.42 -1.084444992e+00 -2.038769863e+00 -2.445612059e+00 3.44 -1.031046034e+00 -1.958604979e+00 -2.357391914e+00 3.46 -9.797506380e-01 -1.880593103e+00 -2.271129792e+00 3.48 -9.305059875e-01 -1.804747633e+00 -2.186879170e+00 3.50 -8.832581231e-01 -1.731074344e+00 -2.104683047e+00 3.52 -8.379522703e-01 -1.659572092e+00 -2.024574733e+00 3.54 -7.945331350e-01 -1.590233490e+00 -1.946564405e+00 3.56 -7.529451669e-01 -1.523045534e+00 -1.870649844e+00 3.58 -7.131327934e-01 -1.457990195e+00 -1.796839926e+00 3.60 -6.750406271e-01 -1.395044980e+00 -1.725136867e+00 3.62 -6.386136477e-01 -1.334183441e+00 -1.655536764e+00 3.64 -6.037973625e-01 -1.275375662e+00 -1.588030189e+00 3.66 -5.705379446e-01 -1.218588700e+00 -1.522602746e+00 3.68 -5.387823535e-01 -1.163787004e+00 -1.459235593e+00 3.70 -5.084784378e-01 -1.110932789e+00 -1.397905933e+00 3.72 -4.795750225e-01 -1.059986389e+00 -1.338587466e+00 3.74 -4.520219823e-01 -1.010906578e+00 -1.281250820e+00 3.76 -4.257703015e-01 -9.636508631e-01 -1.225863944e+00 3.78 -4.007721234e-01 -9.181757485e-01 -1.172392470e+00 3.80 -3.769807886e-01 -8.744369828e-01 -1.120800051e+00 3.82 -3.543508643e-01 -8.323897770e-01 -1.071048676e+00 3.84 -3.328381655e-01 -7.919890035e-01 -1.023083394e+00 3.86 -3.123997685e-01 -7.531893754e-01 -9.768238361e-01 3.88 -2.929940183e-01 -7.159456068e-01 -9.322287312e-01 3.90 -2.745805299e-01 -6.802125562e-01 -8.892583185e-01 3.92 -2.571201848e-01 -6.459453538e-01 -8.478723273e-01 3.94 -2.405751227e-01 -6.130995148e-01 -8.080301489e-01 3.96 -2.249087301e-01 -5.816310382e-01 -7.696909923e-01 3.98 -2.100856243e-01 -5.514964943e-01 -7.328140241e-01 4.00 -1.960716362e-01 -5.226530997e-01 -6.973584943e-01 4.02 -1.828337889e-01 -4.950587830e-01 -6.632838488e-01 4.04 -1.703402755e-01 -4.686722400e-01 -6.305498294e-01 4.06 -1.585604349e-01 -4.434529810e-01 -5.991165626e-01 4.08 -1.474647258e-01 -4.193613693e-01 -5.689446378e-01 4.10 -1.370246997e-01 -3.963586539e-01 -5.399951757e-01 4.12 -1.272129737e-01 -3.744069940e-01 -5.122298880e-01 4.14 -1.180032015e-01 -3.534694792e-01 -4.856111288e-01 4.16 -1.093700449e-01 -3.335101435e-01 -4.601019388e-01 4.18 -1.012891442e-01 -3.144939750e-01 -4.356660819e-01 4.20 -9.373708945e-02 -2.963869209e-01 -4.122680764e-01 4.22 -8.669139061e-02 -2.791558895e-01 -3.898732205e-01 4.24 -8.013044857e-02 -2.627687479e-01 -3.684476117e-01 4.26 -7.403352606e-02 -2.471943173e-01 -3.479581629e-01 4.28 -6.838071894e-02 -2.324023661e-01 -3.283726132e-01 4.30 -6.315292830e-02 -2.183635992e-01 -3.096595355e-01 4.32 -5.833183357e-02 -2.050468295e-01 -2.917883404e-01 4.34 -5.389986017e-02 -1.923932566e-01 -2.747292774e-01 4.36 -4.984015625e-02 -1.803687962e-01 -2.584534329e-01 4.38 -4.613656682e-02 -1.689492446e-01 -2.429327263e-01 4.40 -4.277360795e-02 -1.581112251e-01 -2.281399035e-01 4.42 -3.973579441e-02 -1.478321688e-01 -2.140485289e-01 4.44 -3.696733020e-02 -1.380902959e-01 -2.006329755e-01 4.46 -3.442871690e-02 -1.288645958e-01 -1.878684138e-01 4.48 -3.205219937e-02 -1.201348072e-01 -1.757307989e-01 4.50 -2.981009459e-02 -1.118813982e-01 -1.641968575e-01 4.52 -2.769625469e-02 -1.040855456e-01 -1.532440731e-01 4.54 -2.570510458e-02 -9.672911534e-02 -1.428506709e-01 4.56 -2.383133737e-02 -8.979464165e-02 -1.329956018e-01 4.58 -2.206984645e-02 -8.326530732e-02 -1.236585264e-01 4.60 -2.041572356e-02 -7.712492365e-02 -1.148197981e-01 4.62 -1.886425567e-02 -7.135791195e-02 -1.064604460e-01 4.64 -1.741092103e-02 -6.594928139e-02 -9.856215757e-02 4.66 -1.605138458e-02 -6.088461052e-02 -9.110726178e-02 4.68 -1.478149279e-02 -5.615002961e-02 -8.407871118e-02 4.70 -1.359726817e-02 -5.172121258e-02 -7.746006470e-02 4.72 -1.249490355e-02 -4.755854211e-02 -7.123547028e-02 4.74 -1.147075615e-02 -4.365020871e-02 -6.538964852e-02 4.76 -1.052134164e-02 -3.998605876e-02 -5.990787495e-02 4.78 -9.643328140e-03 -3.655606572e-02 -5.477595976e-02 4.80 -8.833530235e-03 -3.335115237e-02 -4.998023472e-02 4.82 -8.088903134e-03 -3.036258224e-02 -4.550753712e-02 4.84 -7.406505135e-03 -2.758189439e-02 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