# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2003--Hoyt-J-J-Garvin-J-W-Webb-E-B-Asta-M--Cu-Pb # implementation = 2003--Hoyt-J-J--Cu-Pb--LAMMPS--ipr1 # composition = Cu3Pb # 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 2022-05-24 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 -1.279515118e+02 nan nan 0.92 -6.322108108e+01 nan nan 0.94 -1.680496372e+01 nan nan 0.96 1.590336820e+01 nan nan 0.98 3.865535385e+01 nan nan 1.00 5.393440061e+01 nan nan 1.02 6.357085813e+01 -2.941362240e+01 -8.313588409e+01 1.04 6.927362149e+01 4.385152918e+00 -3.478528524e+01 1.06 7.210275321e+01 2.849603798e+01 4.541939480e-01 1.08 7.277153756e+01 4.567660482e+01 2.622620585e+01 1.10 7.199239139e+01 5.753646572e+01 4.471780426e+01 1.12 7.022543181e+01 6.527511275e+01 5.752153581e+01 1.14 6.776226785e+01 6.984483854e+01 6.589276022e+01 1.16 6.485395524e+01 7.217030051e+01 7.111196399e+01 1.18 6.170349034e+01 7.282622973e+01 7.396450039e+01 1.20 5.841250859e+01 7.222189705e+01 7.495985347e+01 1.22 5.504918593e+01 7.070024751e+01 7.459727721e+01 1.24 5.170645356e+01 6.856026090e+01 7.331932829e+01 1.26 4.841900803e+01 6.599869046e+01 7.137256610e+01 1.28 4.520595407e+01 6.313226586e+01 6.890363919e+01 1.30 4.211155921e+01 6.009798168e+01 6.612593404e+01 1.32 3.914781210e+01 5.698136823e+01 6.316347876e+01 1.34 3.632173557e+01 5.384383185e+01 6.009133119e+01 1.36 3.363990882e+01 5.072287850e+01 5.696091542e+01 1.38 3.110780592e+01 4.767374137e+01 5.385231148e+01 1.40 2.872004423e+01 4.471850138e+01 5.078722540e+01 1.42 2.647300443e+01 4.186586169e+01 4.778480119e+01 1.44 2.436866629e+01 3.912044473e+01 4.486229919e+01 1.46 2.240231889e+01 3.649215285e+01 4.204746191e+01 1.48 2.056218085e+01 3.398846088e+01 3.934662483e+01 1.50 1.884532326e+01 3.160916406e+01 3.675481494e+01 1.52 1.724697298e+01 2.935573389e+01 3.427799008e+01 1.54 1.576518613e+01 2.722549794e+01 3.192280959e+01 1.56 1.439445083e+01 2.521568499e+01 2.969706089e+01 1.58 1.312715842e+01 2.331862117e+01 2.759278991e+01 1.60 1.195601861e+01 2.153253018e+01 2.561053713e+01 1.62 1.085935168e+01 1.985656688e+01 2.374762213e+01 1.64 9.830564236e+00 1.829234460e+01 2.199958385e+01 1.66 8.868804967e+00 1.683243438e+01 2.035734600e+01 1.68 7.971852516e+00 1.547176758e+01 1.881855236e+01 1.70 7.136069608e+00 1.420604761e+01 1.738115042e+01 1.72 6.356404895e+00 1.303075779e+01 1.603955697e+01 1.74 5.629840671e+00 1.193889579e+01 1.478813695e+01 1.76 4.952636009e+00 1.091568256e+01 1.362218762e+01 1.78 4.321951639e+00 9.953274117e+00 1.253612767e+01 1.80 3.735557227e+00 9.048252569e+00 1.152268158e+01 1.82 3.189527334e+00 8.198043543e+00 1.056636223e+01 1.84 2.682103497e+00 7.400107771e+00 9.663495687e+00 1.86 2.211517454e+00 6.653879036e+00 8.814075711e+00 1.88 1.775396268e+00 5.956728938e+00 8.013517402e+00 1.90 1.371306300e+00 5.305734805e+00 7.258638598e+00 1.92 9.978706608e-01 4.696553994e+00 6.547908979e+00 1.94 6.533963053e-01 4.125801538e+00 5.879457879e+00 1.96 3.361638535e-01 3.592813707e+00 5.251229148e+00 1.98 4.429307716e-02 3.093418091e+00 4.660838369e+00 2.00 -2.237475473e-01 2.626221668e+00 4.106139035e+00 2.02 -4.693821310e-01 2.189963949e+00 3.585268557e+00 2.04 -6.939179506e-01 1.783018791e+00 3.095839529e+00 2.06 -8.991243874e-01 1.403876893e+00 2.637171567e+00 2.08 -1.087360978e+00 1.051178340e+00 2.208014870e+00 2.10 -1.257890909e+00 7.237891274e-01 1.807277040e+00 2.12 -1.413659821e+00 4.204697795e-01 1.433441287e+00 2.14 -1.556613840e+00 1.401038152e-01 1.085384363e+00 2.16 -1.686138960e+00 -1.194501409e-01 7.616191582e-01 2.18 -1.802470088e+00 -3.589532337e-01 4.589900119e-01 2.20 -1.906444065e+00 -5.795998890e-01 1.778000168e-01 2.22 -1.998949461e+00 -7.832052000e-01 -8.344211841e-02 2.24 -2.080875698e+00 -9.712032825e-01 -3.262052079e-01 2.26 -2.152476427e+00 -1.143834674e+00 -5.506426746e-01 2.28 -2.214488834e+00 -1.301914691e+00 -7.579616520e-01 2.30 -2.267608156e+00 -1.445784916e+00 -9.491041648e-01 2.32 -2.312626975e+00 -1.576552483e+00 -1.124952217e+00 2.34 -2.349841110e+00 -1.695266038e+00 -1.285860399e+00 2.36 -2.379958075e+00 -1.802621349e+00 -1.431924148e+00 2.38 -2.393505354e+00 -1.899368617e+00 -1.565283431e+00 2.40 7.692227716e-01 -1.986317228e+00 -1.686630186e+00 2.42 -2.335197912e-01 -2.064251896e+00 -1.796657101e+00 2.44 -1.054119764e+00 -2.133873872e+00 -1.896050898e+00 2.46 -1.685034802e+00 -2.195865998e+00 -1.985466608e+00 2.48 -2.151091506e+00 -2.250921928e+00 -2.066060983e+00 2.50 -2.480955210e+00 -2.299742043e+00 -2.139205601e+00 2.52 -2.701391581e+00 -2.342525317e+00 -2.204695750e+00 2.54 -2.835753860e+00 -2.379694424e+00 -2.263057667e+00 2.56 -2.905898727e+00 -2.411221924e+00 -2.314772305e+00 2.58 -2.930950076e+00 -2.436899378e+00 -2.360815310e+00 2.60 -2.927452684e+00 -8.619335139e-01 -2.619515276e+00 2.62 -2.909543551e+00 3.576067249e-01 3.454965360e-01 2.64 -2.884640119e+00 -4.192593912e-01 -6.827461228e-01 2.66 -2.852364818e+00 -1.052443079e+00 -1.439029648e+00 2.68 -2.812129648e+00 -1.561548837e+00 -1.981627059e+00 2.70 -2.765567895e+00 -1.963594101e+00 -2.361064026e+00 2.72 -2.715830831e+00 -2.274233769e+00 -2.618832821e+00 2.74 -2.666375744e+00 -2.507315125e+00 -2.787739012e+00 2.76 -2.618352000e+00 -2.675083455e+00 -2.894242116e+00 2.78 -2.569311912e+00 -2.788617264e+00 -2.962014233e+00 2.80 -2.519681660e+00 -2.858126847e+00 -3.001277657e+00 2.82 -2.470179854e+00 -2.892879191e+00 -3.018732940e+00 2.84 -2.420765341e+00 -2.901512875e+00 -3.020087032e+00 2.86 -2.371635365e+00 -2.892126323e+00 -3.010359091e+00 2.88 -2.322928622e+00 -2.872526238e+00 -2.994535776e+00 2.90 -2.274668412e+00 -2.847953556e+00 -2.974563927e+00 2.92 -2.226984287e+00 -2.817999589e+00 -2.950665350e+00 2.94 -2.180014886e+00 -2.780520557e+00 -2.922399499e+00 2.96 -2.133885993e+00 -2.735662274e+00 -2.889807553e+00 2.98 -2.088811717e+00 -2.685629541e+00 -2.853247660e+00 3.00 -2.045037907e+00 -2.633960646e+00 -2.813299607e+00 3.02 -2.002781576e+00 -2.583654669e+00 -2.770677977e+00 3.04 -1.962322772e+00 -2.535538390e+00 -2.726356671e+00 3.06 -1.923888204e+00 -2.489483919e+00 -2.680554555e+00 3.08 -1.886748736e+00 -2.444340878e+00 -2.633936462e+00 3.10 -1.850769738e+00 -2.400234134e+00 -2.588313902e+00 3.12 -1.816111855e+00 -2.357027706e+00 -2.543858717e+00 3.14 -1.782941416e+00 -2.314631138e+00 -2.500903728e+00 3.16 -1.751404744e+00 -2.272916092e+00 -2.459659216e+00 3.18 -1.721760360e+00 -2.231836574e+00 -2.420368420e+00 3.20 -1.693424796e+00 -2.191383346e+00 -2.382197903e+00 3.22 -1.665766835e+00 -2.151628395e+00 -2.344554402e+00 3.24 -1.638781831e+00 -2.112623409e+00 -2.307362451e+00 3.26 -1.612449821e+00 -2.074468713e+00 -2.270611781e+00 3.28 -1.586789913e+00 -2.037354279e+00 -2.234332471e+00 3.30 -1.561800961e+00 -2.001462953e+00 -2.198498301e+00 3.32 -1.537450849e+00 -1.966947242e+00 -2.163623621e+00 3.34 -1.513741708e+00 -1.934010614e+00 -2.129157229e+00 3.36 -1.490684532e+00 -1.902902875e+00 -2.095085180e+00 3.38 -1.468240969e+00 -1.873577208e+00 -2.061363738e+00 3.40 -1.446401306e+00 -1.844993274e+00 -2.027957397e+00 3.42 -1.425165534e+00 -1.816956874e+00 -1.994848446e+00 3.44 -1.404513177e+00 -1.789513128e+00 -1.962067470e+00 3.46 -1.384416909e+00 -1.762611051e+00 -1.929528043e+00 3.48 -1.364877303e+00 -1.736251940e+00 -1.897219337e+00 3.50 -1.345862247e+00 -1.710454596e+00 -1.865293472e+00 3.52 -1.327356956e+00 -1.685219859e+00 -1.834263294e+00 3.54 -1.309352238e+00 -1.660519334e+00 -1.803626172e+00 3.56 -1.291811534e+00 -1.636358395e+00 -1.773360152e+00 3.58 -1.274721275e+00 -1.612741881e+00 -1.743519333e+00 3.60 -1.258070541e+00 -1.589655029e+00 -1.714122866e+00 3.62 -1.241825382e+00 -1.567082096e+00 -1.685183406e+00 3.64 -1.225960260e+00 -1.545008364e+00 -1.656736137e+00 3.66 -1.210472823e+00 -1.523447883e+00 -1.628860403e+00 3.68 -1.195328767e+00 -1.502368025e+00 -1.601563239e+00 3.70 -1.180497941e+00 -1.481750585e+00 -1.574885264e+00 3.72 -1.165967260e+00 -1.461582887e+00 -1.548884413e+00 3.74 -1.151718520e+00 -1.441869298e+00 -1.523638402e+00 3.76 -1.137716819e+00 -1.422572969e+00 -1.499167224e+00 3.78 -1.123944000e+00 -1.403671329e+00 -1.475533499e+00 3.80 -1.110377911e+00 -1.385159070e+00 -1.452808750e+00 3.82 -1.096994370e+00 -1.367023957e+00 -1.431048861e+00 3.84 -1.083767836e+00 -1.349227655e+00 -1.410288436e+00 3.86 -1.070670416e+00 -1.331750180e+00 -1.390581382e+00 3.88 -1.057683069e+00 -1.314591874e+00 -1.372001330e+00 3.90 -1.044780046e+00 -1.297716240e+00 -1.354496391e+00 3.92 -1.031930653e+00 -1.281093857e+00 -1.337541530e+00 3.94 -1.019114868e+00 -1.264705645e+00 -1.320994508e+00 3.96 -1.006315340e+00 -1.248544602e+00 -1.304869950e+00 3.98 -9.934910355e-01 -1.232564775e+00 -1.289124220e+00 4.00 -9.806091060e-01 -1.216740213e+00 -1.273743208e+00 4.02 -9.676389588e-01 -1.201052290e+00 -1.258720791e+00 4.04 -9.545791824e-01 -1.185476763e+00 -1.244050172e+00 4.06 -9.421241889e-01 -1.169973844e+00 -1.229698642e+00 4.08 -9.295380258e-01 -1.154514963e+00 -1.215650866e+00 4.10 -9.166635066e-01 -1.139074412e+00 -1.201903964e+00 4.12 -9.034395665e-01 -1.123615996e+00 -1.188437735e+00 4.14 -8.898052486e-01 -1.108098932e+00 -1.175225406e+00 4.16 -8.757437810e-01 -1.092481776e+00 -1.162251961e+00 4.18 -8.612575622e-01 -1.076741555e+00 -1.149517272e+00 4.20 -8.463474261e-01 -1.060824238e+00 -1.136990463e+00 4.22 -8.309995924e-01 -1.044647284e+00 -1.124651886e+00 4.24 -8.151575866e-01 -1.028131750e+00 -1.112487718e+00 4.26 -7.987637698e-01 -1.011161659e+00 -1.100491567e+00 4.28 -7.817505702e-01 -9.938273588e-01 -1.088632098e+00 4.30 -7.640599741e-01 -9.766637827e-01 -1.076891831e+00 4.32 -7.456308395e-01 -9.594658246e-01 -1.065258442e+00 4.34 -7.263883063e-01 -9.420225378e-01 -1.053716056e+00 4.36 -7.062469763e-01 -9.243282902e-01 -1.042239729e+00 4.38 -6.851195269e-01 -9.063747659e-01 -1.030810370e+00 4.40 -6.629778774e-01 -8.881632860e-01 -1.019421236e+00 4.42 -6.401197736e-01 -8.696877870e-01 -1.008048756e+00 4.44 -6.167957470e-01 -8.509407096e-01 -9.966664842e-01 4.46 -5.929440598e-01 -8.319151020e-01 -9.852508050e-01 4.48 -5.684857401e-01 -8.126273756e-01 -9.737878020e-01 4.50 -5.434284254e-01 -7.930634402e-01 -9.622409186e-01 4.52 -5.178056418e-01 -7.732513238e-01 -9.505881788e-01 4.54 -4.916176603e-01 -7.531223694e-01 -9.388088965e-01 4.56 -4.648912250e-01 -7.327797155e-01 -9.268681911e-01 4.58 -4.376981178e-01 -7.125863611e-01 -9.147187461e-01 4.60 -4.099275541e-01 -6.926788604e-01 -9.023169308e-01 4.62 -3.815806530e-01 -6.720959333e-01 -8.896184032e-01 4.64 -3.531171992e-01 -6.503460743e-01 -8.766134260e-01 4.66 -3.250268066e-01 -6.274721124e-01 -8.632978441e-01 4.68 -2.976999379e-01 -6.048739639e-01 -8.496736595e-01 4.70 -2.697179453e-01 -5.838920436e-01 -8.357460822e-01 4.72 -2.399146707e-01 -5.652086745e-01 -8.214753673e-01 4.74 -2.077801677e-01 -5.491006050e-01 -8.068165010e-01 4.76 -1.732014210e-01 -5.356473779e-01 -7.917245714e-01 4.78 -1.383291525e-01 -5.240249223e-01 -7.761565115e-01 4.80 -1.054585851e-01 -5.123222002e-01 -7.600674548e-01 4.82 -7.615210117e-02 -5.002983456e-01 -7.434106899e-01 4.84 -5.136345309e-02 -4.879215861e-01 -7.261380454e-01 4.86 -3.158068262e-02 -4.751447895e-01 -7.081825835e-01 4.88 -1.698444759e-02 -4.619249277e-01 -6.894845819e-01 4.90 -7.604770689e-03 -4.482140915e-01 -6.699747488e-01 4.92 -3.449085219e-03 -4.340148404e-01 -6.496576435e-01 4.94 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