# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2008--Zhou-X-W-Zimmerman-J-A-Wong-B-M-Hoyt-J-J--Pd-H # implementation = 2008--Zhou-X-W--Pd-H--LAMMPS--ipr1 # composition = H # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 3.446209319e+02 nan 0.72 nan nan nan nan nan nan nan nan 3.079071217e+02 nan 0.74 nan nan nan nan nan 2.384891291e+02 nan nan 2.755145993e+02 nan 0.76 nan nan nan nan nan 2.140379882e+02 nan nan 2.468697609e+02 nan 0.78 nan nan nan nan nan 1.923718895e+02 nan nan 2.214829079e+02 nan 0.80 nan nan nan nan nan 1.731291433e+02 nan nan 1.989362323e+02 nan 0.82 nan nan nan nan nan 1.560066745e+02 nan nan 1.788779935e+02 nan 0.84 nan nan nan 3.776692200e+02 3.776768910e+02 1.407411714e+02 nan nan 1.610028167e+02 2.396818198e+02 0.86 nan 2.120626760e+02 nan 3.434899468e+02 3.434972457e+02 1.271068320e+02 nan nan 1.450456869e+02 2.169323643e+02 0.88 nan 1.917397706e+02 nan 3.126960051e+02 3.127025913e+02 1.149134492e+02 1.982826760e+02 nan 1.307796328e+02 1.965175132e+02 0.90 nan 1.734880264e+02 nan 2.849119592e+02 2.849180607e+02 1.039861763e+02 1.796603561e+02 nan 1.180078790e+02 1.781703080e+02 0.92 nan 1.570756934e+02 nan 2.598066343e+02 2.598128030e+02 9.417775521e+01 1.629050246e+02 nan 1.065572882e+02 1.616549718e+02 0.94 nan 1.422971949e+02 nan 2.370897330e+02 2.370967849e+02 8.536254598e+01 1.478076000e+02 nan 9.627745365e+01 1.467717966e+02 0.96 2.164958402e+02 1.289754846e+02 1.911839280e+02 2.165046127e+02 2.165112023e+02 7.743010445e+01 1.341871659e+02 1.987094789e+02 8.703901351e+01 1.333467780e+02 0.98 1.978226292e+02 1.169541625e+02 1.743852297e+02 1.978301160e+02 1.978358799e+02 7.028267037e+01 1.218874558e+02 1.813506466e+02 7.872746372e+01 1.212174536e+02 1.00 1.808663869e+02 1.060952179e+02 1.591470156e+02 1.808712062e+02 1.808765951e+02 6.383497430e+01 1.107684060e+02 1.655987094e+02 7.124167545e+01 1.102482066e+02 1.02 1.654478238e+02 9.627698159e+01 1.453074124e+02 1.654517991e+02 1.654566420e+02 5.801024347e+01 1.007059219e+02 1.512888242e+02 6.449343463e+01 1.003208501e+02 1.04 1.514149810e+02 8.739315086e+01 1.327302489e+02 1.514173761e+02 1.514218187e+02 5.274377479e+01 9.159289761e+01 1.382758474e+02 5.840448318e+01 9.132426964e+01 1.06 1.386296624e+02 7.934757492e+01 1.212877178e+02 1.386330335e+02 1.386376254e+02 4.797728276e+01 8.333245864e+01 1.264310209e+02 5.290547730e+01 8.316355552e+01 1.08 1.269723421e+02 7.205488843e+01 1.108686295e+02 1.269778867e+02 1.269825131e+02 4.365712384e+01 7.583684948e+01 1.156420004e+02 4.793511694e+01 7.575561210e+01 1.10 1.163352481e+02 6.543973751e+01 1.013749776e+02 1.163415558e+02 1.163461648e+02 3.973853608e+01 6.902912214e+01 1.058074622e+02 4.343879422e+01 6.902725136e+01 1.12 1.066212158e+02 5.943765915e+01 9.271605885e+01 1.066270362e+02 1.066318811e+02 3.616027743e+01 6.284335655e+01 9.683448782e+01 3.936847015e+01 6.291244073e+01 1.14 9.774387853e+01 5.398737002e+01 8.481357312e+01 9.774866972e+01 9.775326889e+01 3.283343760e+01 5.721998316e+01 8.864202661e+01 3.568171484e+01 5.735022894e+01 1.16 8.962475292e+01 4.903513028e+01 7.760016034e+01 8.962874940e+01 8.963262306e+01 2.974663519e+01 5.210467965e+01 8.115762736e+01 3.233923145e+01 5.228617260e+01 1.18 8.219589489e+01 4.453380674e+01 7.101044560e+01 8.219845465e+01 8.220162022e+01 2.688794943e+01 4.744870232e+01 7.431651039e+01 2.924952974e+01 4.767308531e+01 1.20 7.539366118e+01 4.043889990e+01 6.498532691e+01 7.539524959e+01 7.539814173e+01 2.424822978e+01 4.320753224e+01 6.805861789e+01 2.637389379e+01 4.346880011e+01 1.22 6.916044284e+01 3.671228553e+01 5.947231449e+01 6.916247494e+01 6.916533339e+01 2.183441733e+01 3.934262490e+01 6.233074180e+01 2.371949426e+01 3.963554433e+01 1.24 6.344603567e+01 3.332151047e+01 5.442754241e+01 6.344885341e+01 6.345156626e+01 1.963730541e+01 3.581958194e+01 5.708589611e+01 2.127826651e+01 3.613837706e+01 1.26 5.820580514e+01 3.023436510e+01 4.980955411e+01 5.820842910e+01 5.821083685e+01 1.763301509e+01 3.260672001e+01 5.228123233e+01 1.903886241e+01 3.294637059e+01 1.28 5.339709174e+01 2.741765248e+01 4.557845793e+01 5.339963628e+01 5.340191116e+01 1.580647873e+01 2.967555678e+01 4.787750989e+01 1.698950968e+01 3.002561698e+01 1.30 4.898243629e+01 2.479687021e+01 4.170029647e+01 4.898548225e+01 4.898811656e+01 1.414818529e+01 2.695859588e+01 4.383966315e+01 1.511592754e+01 2.730122157e+01 1.32 4.492922308e+01 2.234786713e+01 3.814541463e+01 4.493243543e+01 4.493530841e+01 1.264313344e+01 2.441194012e+01 4.013691510e+01 1.340917904e+01 2.476049782e+01 1.34 4.120688454e+01 2.007090414e+01 3.488665477e+01 4.120965594e+01 4.121241839e+01 1.127708909e+01 2.204481816e+01 3.674020515e+01 1.186253515e+01 2.240057029e+01 1.36 3.778574115e+01 1.797111215e+01 3.189875906e+01 3.778840614e+01 3.779095613e+01 1.003638066e+01 1.985552643e+01 3.362258377e+01 1.046199377e+01 2.021359982e+01 1.38 3.464008043e+01 1.604308031e+01 2.915710046e+01 3.464295077e+01 3.464530349e+01 8.910910544e+00 1.783192526e+01 3.076043470e+01 9.192085032e+00 1.818245903e+01 1.40 3.174767246e+01 1.426683443e+01 2.663236917e+01 3.175066596e+01 3.175275510e+01 7.891375926e+00 1.596557811e+01 2.813244017e+01 8.043821047e+00 1.630577605e+01 1.42 2.908919459e+01 1.263090302e+01 2.426241583e+01 2.909114998e+01 2.909286315e+01 6.969089215e+00 1.424996074e+01 2.569392146e+01 7.008345062e+00 1.458318476e+01 1.44 2.663702861e+01 1.113493052e+01 2.203963961e+01 2.663739385e+01 2.663853821e+01 6.135856740e+00 1.267772183e+01 2.339398794e+01 6.074880314e+00 1.300877665e+01 1.46 2.432305749e+01 9.777674488e+00 1.996605803e+01 2.432827315e+01 2.432981141e+01 5.382783469e+00 1.123938967e+01 2.123707806e+01 5.234071581e+00 1.156916177e+01 1.48 2.214674218e+01 8.546739399e+00 1.803586196e+01 2.215724650e+01 2.216006090e+01 4.701413957e+00 9.924725427e+00 1.922628270e+01 4.478240906e+00 1.025618465e+01 1.50 2.011374899e+01 7.427617856e+00 1.623320169e+01 2.012426558e+01 2.012819834e+01 4.087646380e+00 8.723593501e+00 1.735901360e+01 3.799853885e+00 9.060040484e+00 1.52 1.821826419e+01 6.409820642e+00 1.455563227e+01 1.822554767e+01 1.822965816e+01 3.536739126e+00 7.631076449e+00 1.562573460e+01 3.192004097e+00 7.969963515e+00 1.54 1.645699702e+01 5.486223837e+00 1.301072851e+01 1.645966055e+01 1.646310373e+01 3.041048661e+00 6.641644293e+00 1.402148529e+01 2.647882956e+00 6.977205751e+00 1.56 1.482232508e+01 4.652201736e+00 1.159834814e+01 1.482233884e+01 1.482550656e+01 2.593199425e+00 5.746859744e+00 1.254027466e+01 2.160459362e+00 6.073486406e+00 1.58 1.330821899e+01 3.901815172e+00 1.030514188e+01 1.330895356e+01 1.331284713e+01 2.189492255e+00 4.935915114e+00 1.117875259e+01 1.724484180e+00 5.253447766e+00 1.60 1.191185154e+01 3.227302276e+00 9.117655087e+00 1.191129185e+01 1.191555256e+01 1.827365234e+00 4.200851972e+00 9.928189359e+00 1.336946757e+00 4.511457893e+00 1.62 1.062497615e+01 2.620488904e+00 8.029956876e+00 1.062240687e+01 1.062641863e+01 1.501267642e+00 3.535944601e+00 8.778331573e+00 9.933448510e-01 3.840455894e+00 1.64 9.437948801e+00 2.074985285e+00 7.035908112e+00 9.434866134e+00 9.437722080e+00 1.206241558e+00 2.935988661e+00 7.722365810e+00 6.882011096e-01 3.234213418e+00 1.66 8.346749334e+00 1.585894487e+00 6.127721698e+00 8.343317250e+00 8.343412436e+00 9.404782132e-01 2.395900183e+00 6.755595332e+00 4.159739834e-01 2.687621191e+00 1.68 7.347542726e+00 1.149284774e+00 5.298398048e+00 7.343515273e+00 7.340810483e+00 7.024011486e-01 1.910827204e+00 5.873640422e+00 1.732533673e-01 2.194966219e+00 1.70 6.432688006e+00 7.610122149e-01 4.541090058e+00 6.428415557e+00 6.424431565e+00 4.915193940e-01 1.475827360e+00 5.069114478e+00 -4.221192161e-02 1.751513911e+00 1.72 5.592279245e+00 4.162733396e-01 3.850018023e+00 5.590556037e+00 5.587443177e+00 3.080836186e-01 1.086484094e+00 4.335289114e+00 -2.311830808e-01 1.355345752e+00 1.74 4.823728348e+00 1.094344468e-01 3.222363185e+00 4.824982008e+00 4.823398262e+00 1.470048629e-01 7.382382973e-01 3.668036799e+00 -3.961088020e-01 1.001925516e+00 1.76 4.124092699e+00 -1.634479484e-01 2.654279916e+00 4.126704941e+00 4.126109377e+00 2.892232235e-03 4.284780490e-01 3.062482074e+00 -5.395764748e-01 6.854217002e-01 1.78 3.488704295e+00 -4.055086674e-01 2.140720014e+00 3.490685342e+00 3.490492659e+00 -1.284866681e-01 1.537278298e-01 2.513561006e+00 -6.637027746e-01 4.000907475e-01 1.80 2.911230488e+00 -6.187073234e-01 1.676430242e+00 2.912098523e+00 2.912035795e+00 -2.450470810e-01 -8.893320856e-02 2.015974754e+00 -7.716058628e-01 1.436380262e-01 1.82 2.385857828e+00 -8.036619736e-01 1.257903236e+00 2.386255167e+00 2.386296628e+00 -3.397082430e-01 -3.030876062e-01 1.565444758e+00 -8.649504474e-01 -8.279649805e-02 1.84 1.908778094e+00 -9.636765053e-01 8.817885018e-01 1.909164146e+00 1.909182960e+00 -4.180540407e-01 -4.932527968e-01 1.158327255e+00 -9.459077520e-01 -2.825264469e-01 1.86 1.476287192e+00 -1.101468509e+00 5.440600289e-01 1.476721795e+00 1.476591195e+00 -4.867728176e-01 -6.623753327e-01 7.917787238e-01 -1.015784086e+00 -4.592592500e-01 1.88 1.084761051e+00 -1.218753191e+00 2.403775648e-01 1.085262157e+00 1.084939355e+00 -5.512836555e-01 -8.121281132e-01 4.629137979e-01 -1.073853632e+00 -6.164140438e-01 1.90 7.307763013e-01 -1.316046316e+00 -3.306539061e-02 7.317414906e-01 7.312836884e-01 -6.136438023e-01 -9.431021229e-01 1.693057311e-01 -1.119718317e+00 -7.564231780e-01 1.92 4.120697876e-01 -1.394900719e+00 -2.778819701e-01 4.136064775e-01 4.129578036e-01 -6.686954454e-01 -1.056725818e+00 -9.120015760e-02 -1.152287195e+00 -8.793896676e-01 1.94 1.292699284e-01 -1.460298952e+00 -4.961991424e-01 1.300084049e-01 1.286579241e-01 -7.159007645e-01 -1.155126672e+00 -3.218783386e-01 -1.174492293e+00 -9.865194700e-01 1.96 -1.203655761e-01 -1.516910728e+00 -6.901719103e-01 -1.220744521e-01 -1.245995524e-01 -7.560111452e-01 -1.240133511e+00 -5.271403828e-01 -1.190344422e+00 -1.079276581e+00 1.98 -3.415370560e-01 -1.566124755e+00 -8.591723617e-01 -3.462642162e-01 -3.496129210e-01 -7.897121932e-01 -1.312345550e+00 -7.104463140e-01 -1.201669794e+00 -1.159001711e+00 2.00 -5.397709950e-01 -1.608291959e+00 -1.004628845e+00 -5.464109211e-01 -5.496568817e-01 -8.176283023e-01 -1.371945489e+00 -8.751550815e-01 -1.209822278e+00 -1.226922247e+00 2.02 -7.200460902e-01 -1.641381692e+00 -1.129055592e+00 -7.262865188e-01 -7.284774612e-01 -8.391783261e-01 -1.418969184e+00 -1.022362386e+00 -1.215391153e+00 -1.284161425e+00 2.04 -8.831963545e-01 -1.666100255e+00 -1.233225401e+00 -8.869497189e-01 -8.877568142e-01 -8.518982701e-01 -1.455031405e+00 -1.151390963e+00 -1.217441253e+00 -1.331746794e+00 2.06 -1.027643459e+00 -1.683326309e+00 -1.322035449e+00 -1.028790623e+00 -1.028739562e+00 -8.581010755e-01 -1.482721527e+00 -1.262777681e+00 -1.217099548e+00 -1.370628269e+00 2.08 -1.154264454e+00 -1.693860382e+00 -1.400165834e+00 -1.153562489e+00 -1.153375767e+00 -8.607191726e-01 -1.504376950e+00 -1.358605174e+00 -1.214030538e+00 -1.398431628e+00 2.10 -1.263854585e+00 -1.698431407e+00 -1.468526500e+00 -1.262180184e+00 -1.262008703e+00 -8.623082987e-01 -1.521180966e+00 -1.441012061e+00 -1.205897849e+00 -1.413000469e+00 2.12 -1.358345480e+00 -1.697702719e+00 -1.529324781e+00 -1.356675661e+00 -1.356519088e+00 -8.645139449e-01 -1.533721913e+00 -1.511959666e+00 -1.192396671e+00 -1.418189458e+00 2.14 -1.439753334e+00 -1.692277576e+00 -1.583117650e+00 -1.438230059e+00 -1.437519981e+00 -8.669244209e-01 -1.541223636e+00 -1.573031139e+00 -1.174816785e+00 -1.418346016e+00 2.16 -1.509960661e+00 -1.682589271e+00 -1.627643101e+00 -1.507338069e+00 -1.504970760e+00 -8.670027990e-01 -1.543797845e+00 -1.623762520e+00 -1.155533953e+00 -1.417293859e+00 2.18 -1.570523281e+00 -1.667779778e+00 -1.663586763e+00 -1.565879353e+00 -1.561242923e+00 -8.648545616e-01 -1.541983708e+00 -1.663611464e+00 -1.135428589e+00 -1.417520836e+00 2.20 -1.622131502e+00 -1.648460883e+00 -1.691403746e+00 -1.615242021e+00 -1.608352540e+00 -8.601949470e-01 -1.536246489e+00 -1.694195342e+00 -1.114746365e+00 -1.417944140e+00 2.22 -1.664750116e+00 -1.624622704e+00 -1.710847673e+00 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