# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au # 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 nan nan 0.72 nan nan nan nan nan nan nan nan 1.866166003e+03 nan 0.74 nan nan nan nan nan nan nan nan 1.678431620e+03 nan 0.76 nan nan nan nan nan 1.314438068e+03 nan nan 1.512383994e+03 nan 0.78 nan nan nan nan nan 1.187004374e+03 nan nan 1.365133970e+03 nan 0.80 nan nan nan nan nan 1.073726113e+03 nan nan 1.234230754e+03 nan 0.82 nan nan nan nan nan 9.727987421e+02 nan nan 1.117587929e+03 nan 0.84 nan nan nan nan nan 8.826791241e+02 nan nan 1.013422170e+03 nan 0.86 nan nan nan nan nan 8.020420022e+02 nan nan 9.202039547e+02 nan 0.88 nan nan nan 1.891276218e+03 1.891304087e+03 7.297458198e+02 nan nan 8.366175334e+02 1.222008337e+03 0.90 nan 1.092683049e+03 nan 1.732137418e+03 1.732164152e+03 6.648044008e+02 1.126447699e+03 nan 7.615270491e+02 1.115756735e+03 0.92 nan 9.979491101e+02 nan 1.588354384e+03 1.588380050e+03 6.063627639e+02 1.029472834e+03 nan 6.939483292e+02 1.019938695e+03 0.94 nan 9.123991444e+02 nan 1.458211365e+03 1.458236012e+03 5.536783000e+02 9.418721983e+02 nan 6.330266838e+02 9.333789197e+02 0.96 nan 8.350128407e+02 nan 1.340211600e+03 1.340235299e+03 5.061036065e+02 8.626078131e+02 nan 5.780175555e+02 8.550533703e+02 0.98 nan 7.648997243e+02 nan 1.233046091e+03 1.233068948e+03 4.630726158e+02 7.907727411e+02 1.138340655e+03 5.282706044e+02 7.840665810e+02 1.00 1.135544687e+03 7.012800696e+02 1.010637747e+03 1.135566568e+03 1.135588724e+03 4.240903402e+02 7.255728696e+02 1.047613823e+03 4.832161414e+02 7.196339734e+02 1.02 1.046742320e+03 6.434694279e+02 9.306256207e+02 1.046763809e+03 1.046785341e+03 3.887225743e+02 6.663101644e+02 9.649948186e+02 4.423542819e+02 6.610668524e+02 1.04 9.657275564e+02 5.908662333e+02 8.576719042e+02 9.657485897e+02 9.657693623e+02 3.565875890e+02 6.123706633e+02 8.896514435e+02 4.052452872e+02 6.077585744e+02 1.06 8.917160895e+02 5.429395923e+02 7.910637787e+02 8.917362920e+02 8.917562460e+02 3.273489787e+02 5.632126903e+02 8.208491074e+02 3.715013453e+02 5.591730284e+02 1.08 8.240136328e+02 4.992207382e+02 7.301702270e+02 8.240327133e+02 8.240518680e+02 3.007098617e+02 5.183570756e+02 7.579379561e+02 3.407796605e+02 5.148366718e+02 1.10 7.620040767e+02 4.592939894e+02 6.744320879e+02 7.620222137e+02 7.620405466e+02 2.764074859e+02 4.773791031e+02 7.003418844e+02 3.127767702e+02 4.743297493e+02 1.12 7.051407987e+02 4.227909036e+02 6.233534628e+02 7.051579466e+02 7.051754984e+02 2.542093067e+02 4.399017304e+02 6.475494630e+02 2.872233281e+02 4.372789327e+02 1.14 6.529368769e+02 3.893830981e+02 5.764924178e+02 6.529533054e+02 6.529701273e+02 2.339088404e+02 4.055892979e+02 5.991054206e+02 2.638798679e+02 4.033522799e+02 1.16 6.049584695e+02 3.587782075e+02 5.334551034e+02 6.049745419e+02 6.049907133e+02 2.153223553e+02 3.741422933e+02 5.546041844e+02 2.425331729e+02 3.722539610e+02 1.18 5.608180493e+02 3.307148038e+02 4.938899517e+02 5.608336949e+02 5.608491911e+02 1.982863577e+02 3.452932060e+02 5.136833214e+02 2.229929837e+02 3.437198072e+02 1.20 5.201684924e+02 3.049592552e+02 4.574818043e+02 5.201835849e+02 5.201984469e+02 1.826550734e+02 3.188028461e+02 4.760182884e+02 2.050892896e+02 3.175135256e+02 1.22 4.826986809e+02 2.813020439e+02 4.239483500e+02 4.827130469e+02 4.827272487e+02 1.682981926e+02 2.944568854e+02 4.413180281e+02 1.886699786e+02 2.934231139e+02 1.24 4.481289339e+02 2.595546027e+02 3.930360675e+02 4.481425050e+02 4.481559879e+02 1.550990584e+02 2.720627746e+02 4.093212246e+02 1.735987163e+02 2.712580832e+02 1.26 4.162077168e+02 2.395476274e+02 3.645168891e+02 4.162204301e+02 4.162331552e+02 1.429531603e+02 2.514472609e+02 3.797926538e+02 1.597529964e+02 2.508473228e+02 1.28 3.867083052e+02 2.211283401e+02 3.381846978e+02 3.867201274e+02 3.867321139e+02 1.317663957e+02 2.324542724e+02 3.525203575e+02 1.470227972e+02 2.320367132e+02 1.30 3.594257945e+02 2.041587403e+02 3.138535901e+02 3.594368440e+02 3.594481594e+02 1.214542716e+02 2.149428773e+02 3.273127282e+02 1.353089039e+02 2.146873294e+02 1.32 3.341749341e+02 1.885143130e+02 2.913552820e+02 3.341853826e+02 3.341960798e+02 1.119403998e+02 1.987859094e+02 3.039966731e+02 1.245220248e+02 1.986737466e+02 1.34 3.107880269e+02 1.740824040e+02 2.705376860e+02 3.107980315e+02 3.108081509e+02 1.031562016e+02 1.838683432e+02 2.824154660e+02 1.145816044e+02 1.838823591e+02 1.36 2.891131347e+02 1.607607322e+02 2.512628107e+02 2.891226373e+02 2.891322068e+02 9.503978712e+01 1.700858429e+02 2.624268775e+02 1.054147703e+02 1.702105187e+02 1.38 2.690118977e+02 1.484563476e+02 2.334049070e+02 2.690209841e+02 2.690300676e+02 8.753495048e+01 1.573438650e+02 2.439017732e+02 9.695554748e+01 1.575648447e+02 1.40 2.503587293e+02 1.370850264e+02 2.168499728e+02 2.503674439e+02 2.503761017e+02 8.059090564e+01 1.455564317e+02 2.267226585e+02 8.914423519e+01 1.458608406e+02 1.42 2.330391971e+02 1.265701430e+02 2.014941654e+02 2.330475862e+02 2.330558839e+02 7.416154136e+01 1.346454162e+02 2.107826001e+02 8.192654487e+01 1.350217211e+02 1.44 2.169490189e+02 1.168418119e+02 1.872428009e+02 2.169570097e+02 2.169649143e+02 6.820499130e+01 1.245397202e+02 1.959841351e+02 7.525317960e+01 1.249776246e+02 1.46 2.019927606e+02 1.078362577e+02 1.740094660e+02 2.020003513e+02 2.020078652e+02 6.268317769e+01 1.151746833e+02 1.822380462e+02 6.907942400e+01 1.156649075e+02 1.48 1.880831627e+02 9.949548999e+01 1.617150527e+02 1.880903898e+02 1.880975134e+02 5.756143067e+01 1.064913106e+02 1.694629073e+02 6.336456780e+01 1.070255201e+02 1.50 1.751405433e+02 9.176654419e+01 1.502870791e+02 1.751473670e+02 1.751540927e+02 5.280804627e+01 9.843578161e+01 1.575842567e+02 5.807153128e+01 9.900653255e+01 1.52 1.630918779e+02 8.460103768e+01 1.396593394e+02 1.630982844e+02 1.631046118e+02 4.839414173e+01 9.095879551e+01 1.465338170e+02 5.316644787e+01 9.155921589e+01 1.54 1.518701893e+02 7.795461260e+01 1.297711964e+02 1.518760950e+02 1.518820282e+02 4.429336587e+01 8.401531073e+01 1.362489922e+02 4.861844658e+01 8.463930354e+01 1.56 1.414140294e+02 7.178658727e+01 1.205668265e+02 1.414193414e+02 1.414248835e+02 4.048143135e+01 7.756411068e+01 1.266723651e+02 4.439938920e+01 7.820631390e+01 1.58 1.316664538e+02 6.605982147e+01 1.119951334e+02 1.316713468e+02 1.316765389e+02 3.693626776e+01 7.156741072e+01 1.177510485e+02 4.048348138e+01 7.222298928e+01 1.60 1.225755698e+02 6.074032528e+01 1.040091505e+02 1.225801987e+02 1.225850765e+02 3.363764202e+01 6.599057442e+01 1.094366658e+02 3.684711536e+01 6.665531778e+01 1.62 1.140936403e+02 5.579693033e+01 9.656572540e+01 1.140980374e+02 1.141026224e+02 3.056699004e+01 6.080186550e+01 1.016845965e+02 3.346871530e+01 6.147208979e+01 1.64 1.061765099e+02 5.120097682e+01 8.962499268e+01 1.061807934e+02 1.061851469e+02 2.771266024e+01 5.597203382e+01 9.445384381e+01 3.032852565e+01 5.664457665e+01 1.66 9.878361669e+01 4.692619365e+01 8.315010701e+01 9.878780377e+01 9.879194800e+01 2.505406130e+01 5.147423416e+01 8.770659606e+01 2.741663261e+01 5.214641722e+01 1.68 9.187757179e+01 4.294836274e+01 7.710734857e+01 9.188162773e+01 9.188557339e+01 2.258606553e+01 4.728386906e+01 8.140798184e+01 2.471192875e+01 4.795338830e+01 1.70 8.542378445e+01 3.924522543e+01 7.146566776e+01 8.542769030e+01 8.543145310e+01 2.029718374e+01 4.337830205e+01 7.552584090e+01 2.220606474e+01 4.404311731e+01 1.72 7.939028454e+01 3.579637380e+01 6.619641984e+01 7.939405621e+01 7.939765892e+01 1.817668333e+01 3.973668942e+01 7.003051078e+01 1.988638626e+01 4.039497828e+01 1.74 7.374760932e+01 3.258829762e+01 6.127308083e+01 7.375126741e+01 7.375472887e+01 1.621445999e+01 3.633983930e+01 6.489462903e+01 1.774104056e+01 3.699004548e+01 1.76 6.846853067e+01 2.959795574e+01 5.667121759e+01 6.847203452e+01 6.847537029e+01 1.440109064e+01 3.317002202e+01 6.009289819e+01 1.575894130e+01 3.381088209e+01 1.78 6.352781024e+01 2.681885690e+01 5.236824641e+01 6.353112741e+01 6.353435046e+01 1.272769927e+01 3.021699132e+01 5.560188994e+01 1.392973959e+01 3.084655275e+01 1.80 5.890203273e+01 2.423761183e+01 4.834328352e+01 5.890519806e+01 5.890833676e+01 1.118589963e+01 2.746121986e+01 5.139993108e+01 1.224372488e+01 2.807588973e+01 1.82 5.456960725e+01 2.184165948e+01 4.457700843e+01 5.457260012e+01 5.457562770e+01 9.767743660e+00 2.489618138e+01 4.746701046e+01 1.069179807e+01 2.549454260e+01 1.84 5.051052737e+01 1.961911046e+01 4.105153920e+01 5.051332305e+01 5.051620902e+01 8.465675810e+00 2.251014877e+01 4.378458297e+01 9.265393350e+00 2.309115544e+01 1.86 4.670629177e+01 1.755887146e+01 3.775035801e+01 4.670885069e+01 4.671156498e+01 7.272458285e+00 2.029217289e+01 4.033553097e+01 7.956429903e+00 2.085507925e+01 1.88 4.313959662e+01 1.565052125e+01 3.465803416e+01 4.314193777e+01 4.314447431e+01 6.181147309e+00 1.823195119e+01 3.710387131e+01 6.757245184e+00 1.877617839e+01 1.90 3.979443151e+01 1.388429414e+01 3.176625128e+01 3.979660599e+01 3.979897308e+01 5.185176906e+00 1.631976847e+01 3.407486254e+01 5.660625662e+00 1.684497306e+01 1.92 3.665601355e+01 1.225102651e+01 2.905670501e+01 3.665806306e+01 3.666026901e+01 4.278235202e+00 1.454650663e+01 3.124173292e+01 4.659726459e+00 1.505258663e+01 1.94 3.371061489e+01 1.074210891e+01 2.652431980e+01 3.371259262e+01 3.371464568e+01 3.454260663e+00 1.290356514e+01 2.858652280e+01 3.748023342e+00 1.339064694e+01 1.96 3.095295176e+01 9.349452431e+00 2.415871028e+01 3.095484864e+01 3.095675450e+01 2.707434932e+00 1.138284274e+01 2.610398810e+01 2.919386345e+00 1.185125094e+01 1.98 2.836533361e+01 8.065406640e+00 2.195008928e+01 2.836713402e+01 2.836889548e+01 2.031884539e+00 9.976699483e+00 2.378408049e+01 2.167975895e+00 1.042690315e+01 2.00 2.594298240e+01 6.882826342e+00 1.988910056e+01 2.594468734e+01 2.594632123e+01 1.422414569e+00 8.677967033e+00 2.161728405e+01 1.488246804e+00 9.110521687e+00 2.02 2.367645259e+01 5.795011570e+00 1.796701671e+01 2.367806424e+01 2.367958617e+01 8.739511117e-01 7.479881418e+00 1.959462804e+01 8.749362305e-01 7.895434366e+00 2.04 2.155681042e+01 4.795606437e+00 1.617560439e+01 2.155833108e+01 2.155975455e+01 3.816317932e-01 6.376049361e+00 1.770762092e+01 3.230542374e-01 6.775321949e+00 2.06 1.957560520e+01 3.878683602e+00 1.450709067e+01 1.957703976e+01 1.957837647e+01 -5.916432359e-02 5.360414657e+00 1.594821025e+01 -1.721834530e-01 5.744196440e+00 2.08 1.772484400e+01 3.038536882e+00 1.295413769e+01 1.772617987e+01 1.772743986e+01 -4.523363306e-01 4.427283486e+00 1.430882430e+01 -6.152445771e-01 4.796381368e+00 2.10 1.599697061e+01 2.270047469e+00 1.150981860e+01 1.599818950e+01 1.599938096e+01 -8.023150180e-01 3.571266821e+00 1.278227604e+01 -1.010110429e+00 3.926494228e+00 2.12 1.438475340e+01 1.568331411e+00 1.016759492e+01 1.438587151e+01 1.438701172e+01 -1.113067218e+00 2.787270647e+00 1.136179138e+01 -1.360781020e+00 3.129430931e+00 2.14 1.288134964e+01 9.287941045e-01 8.921295082e+00 1.288241725e+01 1.288353280e+01 -1.388212597e+00 2.070480422e+00 1.004101914e+01 -1.671079658e+00 2.400352124e+00 2.16 1.148039693e+01 3.471197662e-01 7.765044775e+00 1.148145072e+01 1.148255822e+01 -1.631107998e+00 1.416338241e+00 8.813965700e+00 -1.944605089e+00 1.734671081e+00 2.18 1.017587851e+01 -1.807442233e-01 6.693285550e+00 1.017693222e+01 1.017802851e+01 -1.844851493e+00 8.205093597e-01 7.674970755e+00 -2.184534525e+00 1.128043042e+00 2.20 8.962105239e+00 -6.586020094e-01 5.700866456e+00 8.963169396e+00 8.964250887e+00 -2.032289914e+00 2.789307966e-01 6.618689539e+00 -2.393846042e+00 5.763556896e-01 2.22 7.833698555e+00 -1.089994157e+00 4.782788918e+00 7.834763910e+00 7.835827351e+00 -2.196309438e+00 -2.122699565e-01 5.640076029e+00 -2.575332103e+00 7.572062594e-02 2.24 6.785574312e+00 -1.477871385e+00 3.934451174e+00 6.786623646e+00 6.787666112e+00 -2.339111528e+00 -6.566262446e-01 4.734311123e+00 -2.731573250e+00 -3.775344752e-01 2.26 5.812927312e+00 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