# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = MgW3 # 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 2024-04-11 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 6.265888321e+02 nan nan 1.16 5.747827053e+02 nan nan 1.18 5.273770120e+02 nan nan 1.20 4.839583239e+02 nan nan 1.22 4.441584269e+02 nan nan 1.24 4.076458360e+02 nan nan 1.26 3.741197774e+02 nan nan 1.28 3.433084751e+02 5.392759302e+02 6.204350503e+02 1.30 3.149699768e+02 4.982336295e+02 5.742969220e+02 1.32 2.888924957e+02 4.603957461e+02 5.316620829e+02 1.34 2.648921203e+02 4.254877759e+02 4.922218327e+02 1.36 2.428077993e+02 3.932510604e+02 4.557033172e+02 1.38 2.224952104e+02 3.634451651e+02 4.218702025e+02 1.40 2.038214011e+02 3.358524506e+02 3.905171981e+02 1.42 1.866611832e+02 3.102814022e+02 3.614618961e+02 1.44 1.708952921e+02 2.865665073e+02 3.345379762e+02 1.46 1.564098605e+02 2.645648369e+02 3.095912989e+02 1.48 1.430967680e+02 2.441511620e+02 2.864780000e+02 1.50 1.308545001e+02 2.252135508e+02 2.650631826e+02 1.52 1.195892038e+02 2.076504266e+02 2.452196248e+02 1.54 1.092156850e+02 1.913689612e+02 2.268268432e+02 1.56 9.965809685e+01 1.762841212e+02 2.097710849e+02 1.58 9.085007914e+01 1.623177243e+02 1.939462789e+02 1.60 8.273418598e+01 1.493972373e+02 1.792553012e+02 1.62 7.526060199e+01 1.374544242e+02 1.656106919e+02 1.64 6.838537226e+01 1.264241262e+02 1.529343495e+02 1.66 6.206849384e+01 1.162434037e+02 1.411563617e+02 1.68 5.627224863e+01 1.068511184e+02 1.302134931e+02 1.70 5.096005610e+01 9.818789473e+01 1.200478277e+02 1.72 4.609595764e+01 9.019631365e+01 1.106058577e+02 1.74 4.164486666e+01 8.282122434e+01 1.018380432e+02 1.76 3.757470347e+01 7.601011684e+01 9.369868486e+01 1.78 3.385315934e+01 6.971355714e+01 8.614584014e+01 1.80 3.044899796e+01 6.388569410e+01 7.914107346e+01 1.82 2.733264164e+01 5.848482055e+01 7.264896572e+01 1.84 2.447625724e+01 5.347388107e+01 6.663648726e+01 1.86 2.185413804e+01 4.882075746e+01 6.107238582e+01 1.88 1.944280237e+01 4.449814882e+01 5.592670188e+01 1.90 1.722129412e+01 4.048375164e+01 5.117042703e+01 1.92 1.517137962e+01 3.675922630e+01 4.677527216e+01 1.94 1.327753499e+01 3.330722502e+01 4.271353814e+01 1.96 1.152670546e+01 3.011162822e+01 3.895898418e+01 1.98 9.907907129e+00 2.715700817e+01 3.548667254e+01 2.00 8.411770691e+00 2.442850577e+01 3.227132452e+01 2.02 7.030112914e+00 2.191148883e+01 2.928921116e+01 2.04 5.755585283e+00 1.959145090e+01 2.651862075e+01 2.06 4.581417289e+00 1.745401029e+01 2.394065416e+01 2.08 3.501245123e+00 1.548497280e+01 2.153925949e+01 2.10 2.509011887e+00 1.367046290e+01 1.930109350e+01 2.12 1.598918363e+00 1.199712350e+01 1.721516939e+01 2.14 7.654057995e-01 1.045236242e+01 1.527236355e+01 2.16 3.155957312e-03 9.024599567e+00 1.346489394e+01 2.18 -6.929022955e-01 7.703454942e+00 1.178585353e+01 2.20 -1.327582325e+00 6.479833946e+00 1.022884162e+01 2.22 -1.905431099e+00 5.345893752e+00 8.787711075e+00 2.24 -2.430720323e+00 4.294912454e+00 7.456414869e+00 2.26 -2.907439083e+00 3.321100583e+00 6.228936729e+00 2.28 -3.339288512e+00 2.419397072e+00 5.099276011e+00 2.30 -3.729678192e+00 1.585285099e+00 4.061464433e+00 2.32 -4.081725290e+00 8.146405268e-01 3.109591583e+00 2.34 -4.398253417e+00 1.036248636e-01 2.237830030e+00 2.36 -4.681564081e+00 -5.513869145e-01 1.440455479e+00 2.38 -4.933961809e+00 -1.153846725e+00 7.118644760e-01 2.40 -5.157705874e+00 -1.707052286e+00 4.659839480e-02 2.42 -5.354748300e+00 -2.214152373e+00 -5.606233460e-01 2.44 -5.526766181e+00 -2.678143191e+00 -1.114856438e+00 2.46 -5.675203120e+00 -3.101861422e+00 -1.620875807e+00 2.48 -5.801317387e+00 -3.487975515e+00 -2.083118423e+00 2.50 -5.906148567e+00 -3.838977888e+00 -2.505635630e+00 2.52 -5.989815469e+00 -4.157179720e+00 -2.892061940e+00 2.54 -6.052056928e+00 -4.444646423e+00 -3.245608963e+00 2.56 -6.092799100e+00 -4.703221997e+00 -3.569082793e+00 2.58 -6.112145895e+00 -4.934811357e+00 -3.864921740e+00 2.60 -6.110360227e+00 -5.141137067e+00 -4.135246856e+00 2.62 -6.087844681e+00 -5.323876097e+00 -4.381773929e+00 2.64 -6.045127513e+00 -5.484567617e+00 -4.606069309e+00 2.66 -5.982857351e+00 -5.624631603e+00 -4.809869148e+00 2.68 -5.901810839e+00 -5.745394486e+00 -4.994735089e+00 2.70 -5.802914271e+00 -5.848040477e+00 -5.162085506e+00 2.72 -5.687276781e+00 -5.933210687e+00 -5.313222279e+00 2.74 -5.556228661e+00 -6.001370214e+00 -5.449348407e+00 2.76 -5.411354860e+00 -6.052969524e+00 -5.571578449e+00 2.78 -5.254511785e+00 -6.088347552e+00 -5.680892605e+00 2.80 -5.087816672e+00 -6.107906097e+00 -5.777680356e+00 2.82 -4.913601286e+00 -6.112121191e+00 -5.862065694e+00 2.84 -4.734330399e+00 -6.101532325e+00 -5.934245211e+00 2.86 -4.552490819e+00 -6.076737315e+00 -5.994458651e+00 2.88 -4.370465252e+00 -6.038392991e+00 -6.042960670e+00 2.90 -4.190408963e+00 -5.987219712e+00 -6.079998303e+00 2.92 -4.014146955e+00 -5.924006861e+00 -6.105794014e+00 2.94 -3.843107921e+00 -5.849615870e+00 -6.120534180e+00 2.96 -3.678295453e+00 -5.764977275e+00 -6.124362436e+00 2.98 -3.520303815e+00 -5.671079094e+00 -6.117379696e+00 3.00 -3.369363714e+00 -5.568945277e+00 -6.099644683e+00 3.02 -3.225409416e+00 -5.459605129e+00 -6.071182329e+00 3.04 -3.088154506e+00 -5.344056474e+00 -6.031992969e+00 3.06 -2.957165813e+00 -5.223228338e+00 -5.982063977e+00 3.08 -2.831963663e+00 -5.097945400e+00 -5.921382236e+00 3.10 -2.711958815e+00 -4.968903101e+00 -5.849946260e+00 3.12 -2.596329611e+00 -4.836653032e+00 -5.767777009e+00 3.14 -2.484279855e+00 -4.701602686e+00 -5.674926753e+00 3.16 -2.374544077e+00 -4.564024433e+00 -5.571485929e+00 3.18 -2.266110335e+00 -4.424077176e+00 -5.457588464e+00 3.20 -2.158497213e+00 -4.281833365e+00 -5.333416554e+00 3.22 -2.051628799e+00 -4.137310400e+00 -5.199206469e+00 3.24 -1.945701284e+00 -3.990503652e+00 -5.055256026e+00 3.26 -1.841062057e+00 -3.841419198e+00 -4.901935714e+00 3.28 -1.738114370e+00 -3.690104785e+00 -4.739703093e+00 3.30 -1.637252731e+00 -3.536677822e+00 -4.569120348e+00 3.32 -1.538827511e+00 -3.381349294e+00 -4.390873549e+00 3.34 -1.443132901e+00 -3.224447029e+00 -4.205791333e+00 3.36 -1.350410553e+00 -3.066462995e+00 -4.014859934e+00 3.38 -1.260861351e+00 -2.907877747e+00 -3.819231125e+00 3.40 -1.174659148e+00 -2.749280802e+00 -3.620219669e+00 3.42 -1.091961754e+00 -2.591397860e+00 -3.419287601e+00 3.44 -1.012919324e+00 -2.434858912e+00 -3.218031213e+00 3.46 -9.376728446e-01 -2.280202310e+00 -3.018124928e+00 3.48 -8.663524340e-01 -2.128124499e+00 -2.821035092e+00 3.50 -7.990696626e-01 -1.979447834e+00 -2.628223168e+00 3.52 -7.359087458e-01 -1.835063792e+00 -2.440834312e+00 3.54 -6.769179538e-01 -1.695871673e+00 -2.259605487e+00 3.56 -6.221028383e-01 -1.562718514e+00 -2.085356985e+00 3.58 -5.714223733e-01 -1.436346038e+00 -1.918947468e+00 3.60 -5.247884883e-01 -1.317349501e+00 -1.761184111e+00 3.62 -4.820688724e-01 -1.206151418e+00 -1.612748056e+00 3.64 -4.430924609e-01 -1.102991010e+00 -1.474141447e+00 3.66 -4.076567598e-01 -1.007928119e+00 -1.345658302e+00 3.68 -3.755360453e-01 -9.208588611e-01 -1.227377921e+00 3.70 -3.464897286e-01 -8.415394828e-01 -1.119176932e+00 3.72 -3.202701872e-01 -7.696147183e-01 -1.020754760e+00 3.74 -2.966286150e-01 -7.046473870e-01 -9.316670889e-01 3.76 -2.753231519e-01 -6.461466447e-01 -8.513624330e-01 3.78 -2.561227053e-01 -5.935931297e-01 -7.792179652e-01 3.80 -2.388090395e-01 -5.464600123e-01 -7.145719141e-01 3.82 -2.231792501e-01 -5.042295885e-01 -6.567509663e-01 3.84 -2.090471307e-01 -4.664055291e-01 -6.050920418e-01 3.86 -1.962436573e-01 -4.325212039e-01 -5.589585103e-01 3.88 -1.846168005e-01 -4.021446760e-01 -5.177513684e-01 3.90 -1.740308536e-01 -3.748810359e-01 -4.809161422e-01 3.92 -1.643653352e-01 -3.503725997e-01 -4.479461670e-01 3.94 -1.555142305e-01 -3.282984584e-01 -4.183842434e-01 3.96 -1.473840297e-01 -3.083716053e-01 -3.918203353e-01 3.98 -1.398929141e-01 -2.903371971e-01 -3.678901486e-01 4.00 -1.329693651e-01 -2.739697531e-01 -3.462717733e-01 4.02 -1.265509711e-01 -2.590705041e-01 -3.266821330e-01 4.04 -1.205833242e-01 -2.454647886e-01 -3.088732707e-01 4.06 -1.150190161e-01 -2.329995683e-01 -2.926286625e-01 4.08 -1.098167359e-01 -2.215411148e-01 -2.777596819e-01 4.10 -1.049404673e-01 -2.109723129e-01 -2.641022954e-01 4.12 -1.003587810e-01 -2.011915500e-01 -2.515140347e-01 4.14 -9.604421394e-02 -1.921107534e-01 -2.398712459e-01 4.16 -9.197272825e-02 -1.836538807e-01 -2.290666377e-01 4.18 -8.812324148e-02 -1.757546030e-01 -2.190071219e-01 4.20 -8.447722017e-02 -1.683551482e-01 -2.096119061e-01 4.22 -8.101832923e-02 -1.614052206e-01 -2.008108295e-01 4.24 -7.773212988e-02 -1.548610181e-01 -1.925426803e-01 4.26 -7.460582027e-02 -1.486843564e-01 -1.847540525e-01 4.28 -7.162801264e-02 -1.428418977e-01 -1.773991490e-01 4.30 -6.878854234e-02 -1.373044788e-01 -1.704380059e-01 4.32 -6.607830405e-02 -1.320465284e-01 -1.638357327e-01 4.34 -6.348911157e-02 -1.270455652e-01 -1.575618845e-01 4.36 -6.101338559e-02 -1.222817669e-01 -1.515899137e-01 4.38 -5.864485557e-02 -1.177376003e-01 -1.458966861e-01 4.40 -5.637720119e-02 -1.133975048e-01 -1.404620495e-01 4.42 -5.420487182e-02 -1.092476221e-01 -1.352684408e-01 4.44 -5.212278345e-02 -1.052755646e-01 -1.303005213e-01 4.46 -5.012626263e-02 -1.014702181e-01 -1.255448349e-01 4.48 -4.821099846e-02 -9.782157239e-02 -1.209894858e-01 4.50 -4.637300127e-02 -9.432057705e-02 -1.166238414e-01 4.52 -4.460842167e-02 -9.095901752e-02 -1.124378044e-01 4.54 -4.291412775e-02 -8.772940907e-02 -1.084235157e-01 4.56 -4.128671997e-02 -8.462490592e-02 -1.045721315e-01 4.58 -3.972318202e-02 -8.163922320e-02 -1.008758286e-01 4.60 -3.822068163e-02 -7.876656980e-02 -9.732715010e-02 4.62 -3.677655290e-02 -7.600159053e-02 -9.391895778e-02 4.64 -3.538828082e-02 -7.333931624e-02 -9.064441410e-02 4.66 -3.405348767e-02 -7.077512067e-02 -8.749698351e-02 4.68 -3.276992099e-02 -6.830468312e-02 -8.447044274e-02 4.70 -3.153544299e-02 -6.592395597e-02 -8.155889266e-02 4.72 -3.034802103e-02 -6.362913643e-02 -7.875676645e-02 4.74 -2.920571919e-02 -6.141664194e-02 -7.605883170e-02 4.76 -2.810669067e-02 -5.928308852e-02 -7.346018560e-02 4.78 -2.704916747e-02 -5.722527186e-02 -7.095624403e-02 4.80 -2.603140133e-02 -5.523994483e-02 -6.854272573e-02 4.82 -2.505176661e-02 -5.332466233e-02 -6.621563330e-02 4.84 -2.410872661e-02 -5.147641224e-02 -6.397123228e-02 4.86 -2.320080223e-02 -4.969253891e-02 -6.180602977e-02 4.88 -2.232656782e-02 -4.797052490e-02 -5.971675337e-02 4.90 -2.148464723e-02 -4.630795890e-02 -5.770033110e-02 4.92 -2.067371010e-02 -4.470252385e-02 -5.575387286e-02 4.94 -1.989246829e-02 -4.315198956e-02 -5.387465341e-02 4.96 -1.913967248e-02 -4.165420631e-02 -5.206009716e-02 4.98 -1.841410887e-02 -4.020709881e-02 -5.030776430e-02 5.00 -1.771459607e-02 -3.880866126e-02 -4.861533880e-02 5.02 -1.703998202e-02 -3.745695290e-02 -4.698061774e-02 5.04 -1.638914109e-02 -3.615009445e-02 -4.540150190e-02 5.06 -1.576097125e-02 -3.488626526e-02 -4.387598752e-02 5.08 -1.515439145e-02 -3.366370135e-02 -4.240215890e-02 5.10 -1.456833914e-02 -3.248069451e-02 -4.097818205e-02 5.12 -1.400176807e-02 -3.133559247e-02 -3.960229890e-02 5.14 -1.345364631e-02 -3.022680032e-02 -3.827282229e-02 5.16 -1.292295471e-02 -2.915278339e-02 -3.698813133e-02 5.18 -1.240868583e-02 -2.811207156e-02 -3.574666743e-02 5.20 -1.190984353e-02 -2.710326523e-02 -3.454693052e-02 5.22 -1.142544322e-02 -2.612504284e-02 -3.338747577e-02 5.24 -1.095451322e-02 -2.517616984e-02 -3.226691046e-02 5.26 -1.049609724e-02 -2.425550889e-02 -3.118389121e-02 5.28 -1.004925827e-02 -2.336203063e-02 -3.013712136e-02 5.30 -9.613084202e-03 -2.249482445e-02 -2.912534850e-02 5.32 -9.186695356e-03 -2.165310816e-02 -2.814736222e-02 5.34 -8.769254240e-03 -2.083623475e-02 -2.720199121e-02 5.36 -8.359977628e-03 -2.004366797e-02 -2.628805931e-02 5.38 -7.958151105e-03 -1.927502787e-02 -2.540445396e-02 5.40 -7.563145982e-03 -1.853008237e-02 -2.455012443e-02 5.42 -7.174438269e-03 -1.780871218e-02 -2.372405039e-02 5.44 -6.791629132e-03 -1.711088803e-02 -2.292524044e-02 5.46 -6.414465857e-03 -1.643664088e-02 -2.215273049e-02 5.48 -6.042861988e-03 -1.578602699e-02 -2.140558235e-02 5.50 -5.676914865e-03 -1.515909016e-02 -2.068288213e-02 5.52 -5.316918470e-03 -1.455582420e-02 -1.998373884e-02 5.54 -4.963369284e-03 -1.397613896e-02 -1.930717775e-02 5.56 -4.616962900e-03 -1.341983281e-02 -1.865257585e-02 5.58 -4.278579500e-03 -1.288657377e-02 -1.801897778e-02 5.60 -3.949257029e-03 -1.237589053e-02 -1.740556982e-02 5.62 -3.630152016e-03 -1.188717332e-02 -1.681155378e-02 5.64 -3.322489326e-03 -1.141968362e-02 -1.623614565e-02 5.66 -3.027503605e-03 -1.097257069e-02 -1.567857426e-02 5.68 -2.746376453e-03 -1.054489293e-02 -1.513808000e-02 5.70 -2.480174266e-03 -1.013564135e-02 -1.461391355e-02 5.72 -2.229791928e-03 -9.743763289e-03 -1.410533487e-02 5.74 -1.995907079e-03 -9.368184627e-03 -1.361161211e-02 5.76 -1.778948578e-03 -9.007829223e-03 -1.313202089e-02 5.78 -1.579081127e-03 -8.661635117e-03 -1.266584366e-02 5.80 -1.396206240e-03 -8.328567204e-03 -1.221236944e-02 5.82 -1.229978074e-03 -8.007626607e-03 -1.177089384e-02 5.84 -1.079831277e-03 -7.697857144e-03 -1.134071955e-02 5.86 -9.450172712e-04 -7.398349429e-03 -1.092115736e-02 5.88 -8.246451303e-04 -7.108243221e-03 -1.051152781e-02 5.90 -7.177235121e-04 -6.826728590e-03 -1.011116356e-02 5.92 -6.232006725e-04 -6.553046460e-03 -9.719412675e-03 5.94 -5.400004135e-04 -6.286488998e-03 -9.335642858e-03 5.96 -4.670526220e-04 -6.026400242e-03 -8.959246793e-03 5.98 -4.033178013e-04 -5.772177277e-03 -8.589648685e-03 6.00 -3.478056007e-04 -5.523272191e-03 -8.226312035e-03