# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Asadi-E-Asle-Zaeem-M-Nouranian-S-Baskes-M-I--Ni # implementation = 2015--Asadi-E--Ni--LAMMPS--ipr1 # composition = Ni # 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 1.182998079e+03 nan nan nan nan 0.68 nan nan nan nan nan 1.071484577e+03 nan nan nan nan 0.70 nan nan nan nan nan 9.720601320e+02 nan nan 1.085530149e+03 nan 0.72 nan nan nan nan nan 8.832157697e+02 nan nan 9.833701375e+02 nan 0.74 nan nan nan nan nan 8.036581480e+02 nan nan 8.921620583e+02 nan 0.76 nan nan nan nan nan 7.322747432e+02 nan nan 8.105701205e+02 nan 0.78 nan 1.409663945e+03 nan nan nan 6.681052940e+02 1.160698848e+03 nan 7.374432980e+02 1.012290275e+03 0.80 nan 1.282586160e+03 nan nan nan 6.103182423e+02 1.058257657e+03 nan 6.717865588e+02 9.246743781e+02 0.82 nan 1.168501751e+03 nan nan nan 5.581912329e+02 9.659988064e+02 nan 6.127370658e+02 8.456403589e+02 0.84 nan 1.065542439e+03 1.406897740e+03 nan nan 5.110949028e+02 8.813133602e+02 nan 5.591391824e+02 7.742457587e+02 0.86 1.429002240e+03 9.693628559e+02 1.289103137e+03 1.429022246e+03 1.429042252e+03 4.684793475e+02 8.033721985e+02 1.329010893e+03 5.089146018e+02 7.096619878e+02 0.88 1.312661955e+03 8.797788712e+02 1.182493354e+03 1.312681737e+03 1.312701520e+03 4.298627912e+02 7.320593270e+02 1.219861613e+03 4.622236776e+02 6.511596641e+02 0.90 1.207059707e+03 7.972430056e+02 1.084584959e+03 1.207079267e+03 1.207098827e+03 3.948220523e+02 6.670948270e+02 1.120861654e+03 4.192520446e+02 5.980958583e+02 0.92 1.111077428e+03 7.214573390e+02 9.930361280e+02 1.111096767e+03 1.111116106e+03 3.629845071e+02 6.081008276e+02 1.030948482e+03 3.800000267e+02 5.499030373e+02 0.94 1.023728276e+03 6.496008250e+02 9.081426918e+02 1.023747396e+03 1.023766515e+03 3.340212783e+02 5.546477686e+02 9.491846638e+02 3.443470976e+02 5.060794646e+02 0.96 9.441393054e+02 5.821002136e+02 8.299458013e+02 9.441582065e+02 9.441771076e+02 3.076414551e+02 5.062877092e+02 8.747413211e+02 3.120980639e+02 4.661808915e+02 0.98 8.715366743e+02 5.196928531e+02 7.582842598e+02 8.715553584e+02 8.715740424e+02 2.835871625e+02 4.620293396e+02 8.068838954e+02 2.830157408e+02 4.298133476e+02 1.00 8.052330174e+02 4.626906843e+02 6.928657593e+02 8.052514856e+02 8.052699539e+02 2.616293502e+02 4.210830595e+02 7.442260398e+02 2.568436893e+02 3.966268989e+02 1.02 7.446177901e+02 4.111149047e+02 6.333194255e+02 7.446360439e+02 7.446542976e+02 2.415645740e+02 3.834463341e+02 6.833064121e+02 2.333219761e+02 3.663108224e+02 1.04 6.857258769e+02 3.643669230e+02 5.769515514e+02 6.857439174e+02 6.857619580e+02 2.220711978e+02 3.478874373e+02 6.236088827e+02 2.113418447e+02 3.368778702e+02 1.06 6.267489339e+02 3.219899232e+02 5.224513501e+02 6.267667625e+02 6.267845912e+02 2.025465080e+02 3.138140118e+02 5.654705447e+02 1.903319532e+02 3.074198773e+02 1.08 5.693032482e+02 2.838795556e+02 4.707588509e+02 5.693208662e+02 5.693384842e+02 1.835293326e+02 2.817220020e+02 5.100294114e+02 1.705807783e+02 2.787416173e+02 1.10 5.144711752e+02 2.498260673e+02 4.224418857e+02 5.144885838e+02 5.145059924e+02 1.653805205e+02 2.518953859e+02 4.579943105e+02 1.522502983e+02 2.513814451e+02 1.12 4.629325019e+02 2.195563436e+02 3.777947677e+02 4.629497024e+02 4.629669029e+02 1.483267290e+02 2.244638879e+02 4.097573133e+02 1.354106757e+02 2.256769042e+02 1.14 4.150688503e+02 1.927642358e+02 3.369153657e+02 4.150858439e+02 4.151028375e+02 1.324952253e+02 1.994477053e+02 3.654809568e+02 1.200671766e+02 2.018168605e+02 1.16 3.710443642e+02 1.691318286e+02 2.997637153e+02 3.710611522e+02 3.710779402e+02 1.179407824e+02 1.767913412e+02 3.251649050e+02 1.061804754e+02 1.798817841e+02 1.18 3.308676634e+02 1.483439676e+02 2.662062268e+02 3.308842469e+02 3.309008305e+02 1.046663301e+02 1.563889766e+02 2.886965329e+02 9.368183307e+01 1.598746715e+02 1.20 2.944391611e+02 1.300978287e+02 2.360487739e+02 2.944555415e+02 2.944719220e+02 9.263872801e+01 1.381033338e+02 2.558890202e+02 8.248434647e+01 1.417446576e+02 1.22 2.615868884e+02 1.141088641e+02 2.090611700e+02 2.616030669e+02 2.616192454e+02 8.180070689e+01 1.217795212e+02 2.265097302e+02 7.249117488e+01 1.254048873e+02 1.24 2.320933763e+02 1.001141477e+02 1.849950399e+02 2.321093540e+02 2.321253318e+02 7.207982957e+01 1.072550450e+02 2.003010928e+02 6.360146597e+01 1.107459218e+02 1.26 2.057155776e+02 8.787387437e+01 1.635966292e+02 2.057313558e+02 2.057471341e+02 6.339513163e+01 9.436689851e+01 1.769957188e+02 5.571453260e+01 9.764567079e+01 1.28 1.821994115e+02 7.717158518e+01 1.446157695e+02 1.822149914e+02 1.822305714e+02 5.566196950e+01 8.295644377e+01 1.563271039e+02 4.873271162e+01 8.597664039e+01 1.30 1.612901679e+02 6.781353718e+01 1.278119410e+02 1.613055507e+02 1.613209336e+02 4.879548884e+01 7.287263504e+01 1.380369840e+02 4.256323701e+01 7.561111502e+01 1.32 1.427397511e+02 5.962752633e+01 1.129581657e+02 1.427549381e+02 1.427701251e+02 4.271303894e+01 6.397401239e+01 1.218801706e+02 3.711938354e+01 6.642476241e+01 1.34 1.263115244e+02 5.246138644e+01 9.984329364e+01 1.263265167e+02 1.263415089e+02 3.733578772e+01 5.612979208e+01 1.076275078e+02 3.232107645e+01 5.829904194e+01 1.36 1.117833567e+02 4.618132360e+01 8.827312220e+01 1.117981555e+02 1.118129542e+02 3.258973740e+01 4.922030634e+01 9.506745097e+01 2.809511834e+01 5.112271676e+01 1.38 9.894933298e+01 4.067019718e+01 7.807067563e+01 9.896393939e+01 9.897854580e+01 2.840629450e+01 4.313698232e+01 8.400664719e+01 2.437514566e+01 4.479269922e+01 1.40 8.762049223e+01 3.582582317e+01 6.907590361e+01 8.763490747e+01 8.764932271e+01 2.472251598e+01 3.778200578e+01 7.426981254e+01 2.110140229e+01 3.921441230e+01 1.42 7.762486612e+01 3.155934939e+01 6.114498512e+01 7.763909136e+01 7.765331660e+01 2.148112212e+01 3.306777671e+01 6.569912686e+01 1.822039290e+01 3.430180248e+01 1.44 6.880703451e+01 2.779373293e+01 5.414938371e+01 6.882107091e+01 6.883510732e+01 1.863034837e+01 2.891624131e+01 5.815331486e+01 1.568446476e+01 2.997711079e+01 1.46 6.102735542e+01 2.446233658e+01 4.797475756e+01 6.104120413e+01 6.105505285e+01 1.612368871e+01 2.525815679e+01 5.150653598e+01 1.345135198e+01 2.617047730e+01 1.48 5.416099207e+01 2.150765136e+01 4.251980197e+01 5.417465425e+01 5.418831643e+01 1.391957138e+01 2.203233153e+01 4.564717619e+01 1.148370735e+01 2.281944982e+01 1.50 4.809682638e+01 1.888014543e+01 3.769507895e+01 4.811030317e+01 4.812377997e+01 1.198099670e+01 1.918487040e+01 4.047660706e+01 9.748639190e+00 1.986844012e+01 1.52 4.273632305e+01 1.653723538e+01 3.342187102e+01 4.274961559e+01 4.276290813e+01 1.027515845e+01 1.666844510e+01 3.590795751e+01 8.217264884e+00 1.726815563e+01 1.54 3.799239320e+01 1.444237323e+01 2.963108630e+01 3.800550262e+01 3.801861203e+01 8.773065123e+00 1.444160376e+01 3.186493095e+01 6.864289022e+00 1.497503090e+01 1.56 3.378828716e+01 1.256424033e+01 2.626222874e+01 3.380121458e+01 3.381414200e+01 7.449170829e+00 1.246812649e+01 2.828068739e+01 5.667610158e+00 1.295067367e+01 1.58 3.005654132e+01 1.087603937e+01 2.326244486e+01 3.006928787e+01 3.008203442e+01 6.281024287e+00 1.071643226e+01 2.509680315e+01 4.607959111e+00 1.116133804e+01 1.60 2.673798921e+01 9.354874448e+00 2.058564867e+01 2.675055600e+01 2.676312279e+01 5.248939194e+00 9.159037164e+00 2.226231342e+01 3.668568680e+00 9.577429719e+00 1.62 2.378084750e+01 7.981210516e+00 1.819172745e+01 2.379323565e+01 2.380562379e+01 4.335689565e+00 7.772058111e+00 1.973284080e+01 2.834874986e+00 8.173048751e+00 1.64 2.113987731e+01 6.738402603e+00 1.604582437e+01 2.115208791e+01 2.116429851e+01 3.526230191e+00 6.534708228e+00 1.746980701e+01 2.094246907e+00 6.925569968e+00 1.66 1.877562293e+01 5.612248149e+00 1.411769589e+01 1.878765708e+01 1.879969124e+01 2.807442889e+00 5.428858251e+00 1.543972539e+01 1.435701995e+00 5.815262115e+00 1.68 1.665372432e+01 4.590483152e+00 1.238113804e+01 1.666558312e+01 1.667744193e+01 2.167907355e+00 4.438708869e+00 1.361356910e+01 8.496243209e-01 4.824943909e+00 1.70 1.474430063e+01 3.662451154e+00 1.081347704e+01 1.475598517e+01 1.476766971e+01 1.597695672e+00 3.550504712e+00 1.196620984e+01 3.275868036e-01 3.939675590e+00 1.72 1.302139984e+01 2.818889934e+00 9.395118449e+00 1.303291120e+01 1.304442255e+01 1.088188881e+00 2.752280450e+00 1.047592086e+01 -1.377907755e-01 3.146483591e+00 1.74 1.146250946e+01 2.051747682e+00 8.109149128e+00 1.147384871e+01 1.148518797e+01 6.319138900e-01 2.033636145e+00 9.123938815e+00 -5.529681956e-01 2.434115711e+00 1.76 1.004812353e+01 1.354023073e+00 6.940958438e+00 1.005929175e+01 1.007045997e+01 2.223991493e-01 1.385539218e+00 7.894078593e+00 -9.235968806e-01 1.792824466e+00 1.78 8.761359977e+00 7.196261417e-01 5.877832508e+00 8.772358229e+00 8.783356481e+00 -1.459528746e-01 8.001501327e-01 6.772395247e+00 -1.254619152e+00 1.214175639e+00 1.80 7.587624219e+00 1.432564536e-01 4.908672499e+00 7.598453564e+00 7.609282909e+00 -4.779778266e-01 2.706695076e-01 5.746888439e+00 -1.550355704e+00 6.908799404e-01 1.82 6.514313304e+00 -3.797475906e-01 4.023791198e+00 6.524974797e+00 6.535636290e+00 -7.778480675e-01 -2.087959674e-01 4.807244124e+00 -1.814582732e+00 2.166449667e-01 1.84 5.530556944e+00 -8.536042980e-01 3.214735548e+00 5.541051636e+00 5.551546328e+00 -1.049158984e+00 -6.433507367e-01 3.944609349e+00 -2.050599640e+00 -2.139543957e-01 1.86 4.626990656e+00 -1.282166642e+00 2.474130850e+00 4.637319591e+00 4.647648526e+00 -1.295004600e+00 -1.037412897e+00 3.151396037e+00 -2.261288540e+00 -6.055895028e-01 1.88 3.795557727e+00 -1.668957537e+00 1.795544438e+00 3.805721944e+00 3.815886161e+00 -1.518043572e+00 -1.394803658e+00 2.421110316e+00 -2.449166373e+00 -9.622770625e-01 1.90 3.029336261e+00 -2.017201097e+00 1.173366308e+00 3.039336795e+00 3.049337328e+00 -1.720556829e+00 -1.718826098e+00 1.748204023e+00 -2.616430595e+00 -1.287465699e+00 1.92 2.322388412e+00 -2.329850574e+00 6.027047629e-01 2.332226292e+00 2.342064171e+00 -1.904497824e+00 -2.012349878e+00 1.127945622e+00 -2.764999170e+00 -1.584111416e+00 1.94 1.669628978e+00 -2.609613385e+00 7.929518468e-02 1.679305227e+00 1.688981475e+00 -2.071536314e+00 -2.277896476e+00 5.563079923e-01 -2.896545580e+00 -1.854743377e+00 1.96 1.066710858e+00 -2.858973546e+00 -4.005797552e-01 1.076226494e+00 1.085742131e+00 -2.223096540e+00 -2.517687556e+00 2.986274251e-02 -3.012529481e+00 -2.101521241e+00 1.98 5.099253031e-01 -3.080211802e+00 -8.401598280e-01 5.192813407e-01 5.286373784e-01 -2.360390462e+00 -2.733681517e+00 -4.543896377e-01 -3.114223541e+00 -2.326285101e+00 2.00 -3.885132203e-03 -3.275423755e+00 -1.242268335e+00 5.312315025e-03 1.450976225e-02 -2.484446762e+00 -2.927605600e+00 -8.991595108e-01 -3.202736983e+00 -2.530599068e+00 2.02 -4.774137906e-01 -3.446537596e+00 -1.609373123e+00 -4.683739306e-01 -4.593340705e-01 -2.596139907e+00 -3.100987862e+00 -1.306911325e+00 -3.279039059e+00 -2.715794923e+00 2.04 -9.130710239e-01 -3.595343198e+00 -1.943710047e+00 -9.041877529e-01 -8.953044819e-01 -2.696250507e+00 -3.255220270e+00 -1.679928700e+00 -3.344005908e+00 -2.883062720e+00 2.06 -1.313128214e+00 -3.723516213e+00 -2.247381551e+00 -1.304400539e+00 -1.295672864e+00 -2.785522436e+00 -3.391609278e+00 -2.020366920e+00 -3.398458073e+00 -3.033522847e+00 2.08 -1.679735660e+00 -3.832626061e+00 -2.522371016e+00 -1.671162593e+00 -1.662589525e+00 -2.864708988e+00 -3.511384197e+00 -2.330263143e+00 -3.443166112e+00 -3.168235004e+00 2.10 -2.014928618e+00 -3.924142110e+00 -2.770549076e+00 -2.006509176e+00 -1.998089733e+00 -2.934356917e+00 -3.615701477e+00 -2.611542469e+00 -3.478854461e+00 -3.288201266e+00 2.12 -2.320633072e+00 -3.999439521e+00 -2.993679615e+00 -2.312366277e+00 -2.304099481e+00 -2.995096401e+00 -3.705648758e+00 -2.866023699e+00 -3.506202440e+00 -3.394368998e+00 2.14 -2.598671215e+00 -4.059804774e+00 -3.193425465e+00 -2.590556093e+00 -2.582440971e+00 -3.047547370e+00 -3.782248703e+00 -3.095424814e+00 -3.525845443e+00 -3.487633630e+00 2.16 -2.850766665e+00 -4.106440870e+00 -3.371353795e+00 -2.842802249e+00 -2.834837833e+00 -3.092264171e+00 -3.846462620e+00 -3.301368178e+00 -3.538382979e+00 -3.568841295e+00 2.18 -3.078549445e+00 -4.140472268e+00 -3.528941246e+00 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