# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Zhakhovskii-V-V-Inogamov-N-A-Petrov-Y-V-et-al--Au # implementation = 2009--Zhakhovskii-V-V--Au--LAMMPS--ipr2 # 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 nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 2.004226200e+03 nan 0.86 nan nan nan nan nan nan nan nan 1.814601393e+03 nan 0.88 nan nan nan nan nan nan nan nan 1.644777015e+03 nan 0.90 nan nan nan nan nan 1.304607913e+03 nan nan 1.492411555e+03 nan 0.92 nan nan nan nan nan 1.186536664e+03 nan nan 1.355478452e+03 nan 0.94 nan nan nan nan nan 1.080284919e+03 nan nan 1.232218460e+03 nan 0.96 nan nan nan nan nan 9.845218225e+02 nan nan 1.121099986e+03 nan 0.98 nan nan nan nan nan 8.980849195e+02 nan nan 1.020785426e+03 nan 1.00 nan nan nan nan nan 8.199562888e+02 nan nan 9.301037214e+02 nan 1.02 nan nan nan 2.066098040e+03 2.066144959e+03 7.492427024e+02 nan nan 8.480269116e+02 1.286360895e+03 1.04 nan 1.141059711e+03 nan 1.901132944e+03 1.901178941e+03 6.851582679e+02 1.186297234e+03 nan 7.736503069e+02 1.178552005e+03 1.06 nan 1.044334104e+03 nan 1.750573086e+03 1.750618257e+03 6.270100334e+02 1.087011090e+03 nan 7.061761612e+02 1.080443233e+03 1.08 nan 9.562493514e+02 nan 1.612989130e+03 1.613033429e+03 5.741858659e+02 9.965599739e+02 nan 6.448994394e+02 9.910607346e+02 1.10 nan 8.759491145e+02 nan 1.487113661e+03 1.487156963e+03 5.261438877e+02 9.140706110e+02 nan 5.891957046e+02 9.095409242e+02 1.12 nan 8.026733813e+02 nan 1.371820569e+03 1.371862703e+03 4.824033842e+02 8.387672855e+02 nan 5.385106679e+02 8.351169679e+02 1.14 nan 7.357463039e+02 nan 1.266107177e+03 1.266147971e+03 4.425373137e+02 7.699593885e+02 nan 4.923515068e+02 7.671062006e+02 1.16 1.169039979e+03 6.745654602e+02 1.024704024e+03 1.169079168e+03 1.169118453e+03 4.061656185e+02 7.070311875e+02 1.067378676e+03 4.502792366e+02 7.048998509e+02 1.18 1.079900065e+03 6.185930071e+02 9.450044357e+02 1.079937515e+03 1.079975171e+03 3.729492799e+02 6.494324857e+02 9.848824145e+02 4.119021162e+02 6.479540368e+02 1.20 9.979312853e+02 5.673479068e+02 8.717853779e+02 9.979669674e+02 9.980029394e+02 3.425855156e+02 5.966708283e+02 9.090715569e+02 3.768699766e+02 5.957819463e+02 1.22 9.224919910e+02 5.203989498e+02 8.044650381e+02 9.225260080e+02 9.225602896e+02 3.148037220e+02 5.483047639e+02 8.393463445e+02 3.448692515e+02 5.479472052e+02 1.24 8.530059804e+02 4.773590510e+02 7.425209571e+02 8.530384283e+02 8.530710710e+02 2.893615851e+02 5.039377041e+02 7.751681681e+02 3.156187713e+02 5.040581267e+02 1.26 7.889546563e+02 4.378799777e+02 6.854831559e+02 7.889856295e+02 7.890166660e+02 2.660419106e+02 4.632129802e+02 7.160524199e+02 2.888660513e+02 4.637625464e+02 1.28 7.298708083e+02 4.016481848e+02 6.329279395e+02 7.299003281e+02 7.299297986e+02 2.446496617e+02 4.258094091e+02 6.615623997e+02 2.643840047e+02 4.267431592e+02 1.30 6.753327150e+02 3.683806033e+02 5.844728890e+02 6.753607652e+02 6.753887569e+02 2.250166403e+02 3.914372580e+02 6.113039050e+02 2.419680529e+02 3.927136755e+02 1.32 6.249590223e+02 3.378215360e+02 5.397721515e+02 6.249856260e+02 6.250122644e+02 2.070073445e+02 3.598347673e+02 5.649205389e+02 2.214336522e+02 3.614156590e+02 1.34 5.784043583e+02 3.097394518e+02 4.985124511e+02 5.784296304e+02 5.784550326e+02 1.904768523e+02 3.307651830e+02 5.220896292e+02 2.026141434e+02 3.326153966e+02 1.36 5.353555485e+02 2.839245924e+02 4.604099223e+02 5.353796503e+02 5.354039408e+02 1.752926632e+02 3.040140391e+02 4.825186281e+02 1.853598449e+02 3.061011268e+02 1.38 4.955283849e+02 2.601865875e+02 4.252068284e+02 4.955514292e+02 4.955747333e+02 1.613353595e+02 2.793868918e+02 4.459419560e+02 1.695529304e+02 2.816807278e+02 1.40 4.586643161e+02 2.383523320e+02 3.926686634e+02 4.586865028e+02 4.587089337e+02 1.484971140e+02 2.567070908e+02 4.121181367e+02 1.550735331e+02 2.591798436e+02 1.42 4.245280691e+02 2.182644242e+02 3.625820256e+02 4.245495895e+02 4.245712438e+02 1.366805224e+02 2.358139819e+02 3.808274307e+02 1.418059165e+02 2.384399786e+02 1.44 3.929052206e+02 1.997794195e+02 3.347524086e+02 3.929261324e+02 3.929470605e+02 1.257975143e+02 2.165613346e+02 3.518695318e+02 1.296450682e+02 2.193168527e+02 1.46 3.635999660e+02 1.827665521e+02 3.090023141e+02 3.636202822e+02 3.636405185e+02 1.157684521e+02 1.988158639e+02 3.250616098e+02 1.184956364e+02 2.016790136e+02 1.48 3.364334316e+02 1.671064975e+02 2.851694689e+02 3.364531059e+02 3.364726675e+02 1.065211809e+02 1.824560278e+02 3.002365707e+02 1.082709585e+02 1.854064977e+02 1.50 3.112419663e+02 1.526910327e+02 2.631055671e+02 3.112609320e+02 3.112797951e+02 9.799030074e+01 1.673707666e+02 2.772416001e+02 9.889219608e+01 1.703910775e+02 1.52 2.878756562e+02 1.394342083e+02 2.426748118e+02 2.878938493e+02 2.879119676e+02 9.011647149e+01 1.534676593e+02 2.559367699e+02 9.028757763e+01 1.565482357e+02 1.54 2.661970482e+02 1.272476091e+02 2.237527311e+02 2.662144098e+02 2.662317320e+02 8.284581424e+01 1.406640453e+02 2.361937874e+02 8.239169785e+01 1.437884278e+02 1.56 2.460800059e+02 1.160451925e+02 2.062250850e+02 2.460964818e+02 2.461129649e+02 7.612934813e+01 1.288721874e+02 2.178949230e+02 7.514494514e+01 1.320250816e+02 1.58 2.274086490e+02 1.057481943e+02 1.899868281e+02 2.274241812e+02 2.274397875e+02 6.992246951e+01 1.180116520e+02 2.009320231e+02 6.849293801e+01 1.211789472e+02 1.60 2.100763085e+02 9.628445576e+01 1.749415048e+02 2.100909022e+02 2.101056092e+02 6.418460554e+01 1.080087040e+02 1.852055927e+02 6.238604196e+01 1.111773858e+02 1.62 1.939848445e+02 8.758786872e+01 1.610003041e+02 1.939985198e+02 1.940123040e+02 5.887872998e+01 9.879571158e+01 1.706241135e+02 5.677896610e+01 1.019537964e+02 1.64 1.790438598e+02 7.959777112e+01 1.480831176e+02 1.790566255e+02 1.790694669e+02 5.397112274e+01 9.031056943e+01 1.571032857e+02 5.163034583e+01 9.344703646e+01 1.66 1.651699845e+02 7.225843500e+01 1.361268019e+02 1.651818275e+02 1.651937139e+02 4.943100163e+01 8.249617824e+01 1.445702528e+02 4.690238352e+01 8.560095790e+01 1.68 1.522864259e+02 6.551859444e+01 1.250627060e+02 1.522973343e+02 1.523082658e+02 4.523021673e+01 7.530004005e+01 1.329637335e+02 4.256050916e+01 7.836398937e+01 1.70 1.403318799e+02 5.933112277e+01 1.148248489e+02 1.403418813e+02 1.403518756e+02 4.134298808e+01 6.867385246e+01 1.222160562e+02 3.857312354e+01 7.168867184e+01 1.72 1.292452167e+02 5.365267425e+01 1.053524611e+02 1.292543306e+02 1.292634105e+02 3.774572586e+01 6.257313435e+01 1.122643303e+02 3.491132234e+01 6.553142274e+01 1.74 1.189639044e+02 4.844332107e+01 9.658944305e+01 1.189721514e+02 1.189803471e+02 3.441679142e+01 5.695693159e+01 1.030505150e+02 3.154863738e+01 5.985213884e+01 1.76 1.094301576e+02 4.366625966e+01 8.848396973e+01 1.094375560e+02 1.094448898e+02 3.133632064e+01 5.178752460e+01 9.452098896e+01 2.846083887e+01 5.461390774e+01 1.78 1.005905393e+02 3.928752969e+01 8.098813312e+01 1.005970956e+02 1.006035917e+02 2.848606154e+01 4.703016892e+01 8.662615884e+01 2.562575417e+01 4.978274645e+01 1.80 9.239553224e+01 3.527583612e+01 7.405760623e+01 9.240129638e+01 9.240699594e+01 2.584922048e+01 4.265285175e+01 7.932012105e+01 2.302307636e+01 4.532735602e+01 1.82 8.479931925e+01 3.160231791e+01 6.765132128e+01 8.480433815e+01 8.480928442e+01 2.341032892e+01 3.862605805e+01 7.256040637e+01 2.063419556e+01 4.121890277e+01 1.84 7.775946359e+01 2.824033243e+01 6.173122755e+01 7.776377331e+01 7.776801240e+01 2.115511547e+01 3.492257624e+01 6.630767443e+01 1.844205075e+01 3.743081783e+01 1.86 7.123661055e+01 2.516527845e+01 5.626208463e+01 7.124025065e+01 7.124383342e+01 1.907041409e+01 3.151730404e+01 6.052545191e+01 1.643099243e+01 3.393857360e+01 1.88 6.519424316e+01 2.235443180e+01 5.121122232e+01 6.519724853e+01 6.520022907e+01 1.714406494e+01 2.838708280e+01 5.517991631e+01 1.458666365e+01 3.071958409e+01 1.90 5.959845987e+01 1.978677831e+01 4.654831280e+01 5.960086231e+01 5.960329648e+01 1.536481336e+01 2.551057074e+01 5.023968476e+01 1.289589658e+01 2.775305329e+01 1.92 5.441774779e+01 1.744291366e+01 4.224519772e+01 5.441959904e+01 5.442154530e+01 1.372223767e+01 2.286807817e+01 4.567562510e+01 1.134660256e+01 2.501979765e+01 1.94 4.962277552e+01 1.530493144e+01 3.827575305e+01 4.962417285e+01 4.962569507e+01 1.220669764e+01 2.044144434e+01 4.146067174e+01 9.927669184e+00 2.250211092e+01 1.96 4.518635530e+01 1.335629831e+01 3.461571291e+01 4.518739089e+01 4.518855044e+01 1.080925395e+01 1.821391625e+01 3.756972232e+01 8.628885058e+00 2.018368197e+01 1.98 4.108320920e+01 1.158174356e+01 3.124253168e+01 4.108395644e+01 4.108481110e+01 9.521610379e+00 1.617004983e+01 3.397944612e+01 7.440866385e+00 1.804946322e+01 2.00 3.728981197e+01 9.967161981e+00 2.813524659e+01 3.729033631e+01 3.729094225e+01 8.336061868e+00 1.429559283e+01 3.066815221e+01 6.354984448e+00 1.608556575e+01 2.02 3.378426231e+01 8.499527591e+00 2.527435875e+01 3.378463150e+01 3.378504478e+01 7.245446328e+00 1.257738766e+01 2.761569038e+01 5.363298273e+00 1.427916714e+01 2.04 3.054619726e+01 7.166820542e+00 2.264173345e+01 3.054645498e+01 3.054672065e+01 6.243092896e+00 1.100330814e+01 2.480331698e+01 4.458492280e+00 1.261843554e+01 2.06 2.755666023e+01 5.957941718e+00 2.022055044e+01 2.755683805e+01 2.755699496e+01 5.322805260e+00 9.562179277e+00 2.221359852e+01 3.633830767e+00 1.109244498e+01 2.08 2.479799822e+01 4.862651779e+00 1.799518670e+01 2.479812066e+01 2.479820338e+01 4.478817976e+00 8.243691412e+00 1.983032723e+01 2.883112856e+00 9.691101797e+00 2.10 2.225375408e+01 3.871519279e+00 1.595112062e+01 2.225384986e+01 2.225389089e+01 3.705760529e+00 7.038332779e+00 1.763842926e+01 2.200621706e+00 8.405065983e+00 2.12 1.990861712e+01 2.975857215e+00 1.407485221e+01 1.990871177e+01 1.990873939e+01 2.998626411e+00 5.937327175e+00 1.562389075e+01 1.581083342e+00 7.225718984e+00 2.14 1.774833260e+01 2.167664078e+00 1.235383215e+01 1.774844555e+01 1.774848323e+01 2.352746640e+00 4.932576397e+00 1.377367928e+01 1.019628195e+00 6.145097620e+00 2.16 1.575962303e+01 1.439572283e+00 1.077640966e+01 1.575976264e+01 1.575982933e+01 1.763771551e+00 4.016603439e+00 1.207567245e+01 5.117607684e-01 5.155837546e+00 2.18 1.393012030e+01 7.848013921e-01 9.331762651e+00 1.393028780e+01 1.393039818e+01 1.227643589e+00 3.182507536e+00 1.051859240e+01 5.333042710e-02 4.251125211e+00 2.20 1.224828977e+01 1.971145479e-01 8.009841001e+00 1.224849294e+01 1.224865778e+01 7.405765248e-01 2.423921887e+00 9.091948407e+00 -3.594970835e-01 3.424644124e+00 2.22 1.070340175e+01 -3.292221091e-01 6.801314061e+00 1.070364699e+01 1.070387241e+01 2.990365236e-01 1.734971486e+00 7.785995874e+00 -7.302666320e-01 2.670557063e+00 2.24 9.285470351e+00 -7.994785606e-01 5.697521827e+00 9.285753212e+00 9.286034375e+00 -1.002752861e-01 1.110227434e+00 6.591678132e+00 -1.062255485e+00 1.983463017e+00 2.26 7.985197671e+00 -1.218501162e+00 4.690429404e+00 7.985511043e+00 7.985840296e+00 -4.604388927e-01 5.446748339e-01 5.500577000e+00 -1.358496434e+00 1.358358672e+00 2.28 6.793927916e+00 -1.590732237e+00 3.772584509e+00 6.794264074e+00 6.794633029e+00 -7.843302517e-01 3.368908438e-02 4.504875530e+00 -1.621797253e+00 7.906075637e-01 2.30 5.703602112e+00 -1.920246175e+00 2.937075680e+00 5.703954175e+00 5.704354306e+00 -1.074635195e+00 -4.270009636e-01 3.597308432e+00 -1.854758489e+00 2.759103216e-01 2.32 4.706703386e+00 -2.210779998e+00 2.177482977e+00 4.707074245e+00 4.707499998e+00 -1.333862623e+00 -8.413438942e-01 2.771123479e+00 -2.059790174e+00 -1.897292784e-01 2.34 3.796257265e+00 -2.465756935e+00 1.487874231e+00 3.796649818e+00 3.797095496e+00 -1.564353240e+00 -1.212988532e+00 2.020063838e+00 -2.239125836e+00 -6.100069178e-01 2.36 2.965781965e+00 -2.688313416e+00 8.627599507e-01 2.966196900e+00 2.966656066e+00 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