# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2002--Albe-K-Nordlund-K-Nord-J-Kuronen-A--Ga-As # implementation = Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_003 # composition = Ga # 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 2022-10-04 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 2.003743315e+03 nan nan nan nan 0.64 nan nan nan nan nan 1.794514534e+03 nan nan nan nan 0.66 nan nan nan nan nan 1.589402604e+03 nan nan 1.871882035e+03 nan 0.68 nan nan nan nan nan 1.379395952e+03 nan nan 1.655329328e+03 nan 0.70 nan nan nan nan nan 1.201675388e+03 nan nan 1.482286172e+03 nan 0.72 nan 1.960238258e+03 nan nan nan 1.066920305e+03 nan nan 1.333866366e+03 1.931401484e+03 0.74 nan 1.751156441e+03 nan nan nan 9.592024600e+02 1.768358818e+03 nan 1.192104106e+03 1.740132635e+03 0.76 nan 1.574287401e+03 nan nan nan 8.706660017e+02 1.586306477e+03 nan 1.065565780e+03 1.589812315e+03 0.78 nan 1.421760958e+03 2.026607875e+03 nan nan 7.882325446e+02 1.440206378e+03 nan 9.552013932e+02 1.435565173e+03 0.80 nan 1.281064128e+03 1.832584617e+03 nan 2.035430692e+03 7.043335987e+02 1.308371066e+03 1.893449300e+03 8.580157914e+02 1.280411962e+03 0.82 1.852046387e+03 1.150737018e+03 1.671228712e+03 1.856613845e+03 1.855124979e+03 6.308126652e+02 1.184515674e+03 1.701674674e+03 7.692463912e+02 1.145650497e+03 0.84 1.660966278e+03 1.040134017e+03 1.509062861e+03 1.681920052e+03 1.686115172e+03 5.664310834e+02 1.065754892e+03 1.536324765e+03 6.889196121e+02 1.041332139e+03 0.86 1.507860979e+03 9.420981777e+02 1.347779643e+03 1.523729093e+03 1.529751970e+03 5.083164937e+02 9.587474525e+02 1.395919053e+03 6.153428223e+02 9.519222531e+02 0.88 1.378962643e+03 8.481697920e+02 1.204007431e+03 1.383585798e+03 1.389847023e+03 4.527032769e+02 8.713430027e+02 1.273626318e+03 5.529958897e+02 8.671102003e+02 0.90 1.264065641e+03 7.684279152e+02 1.094961255e+03 1.260619214e+03 1.266834085e+03 4.051204575e+02 7.998479245e+02 1.165069869e+03 4.969705785e+02 7.867524753e+02 0.92 1.156717637e+03 7.058699131e+02 1.014142245e+03 1.150220653e+03 1.154244999e+03 3.689322345e+02 7.340897760e+02 1.066066325e+03 4.477547654e+02 7.098303677e+02 0.94 1.062197567e+03 6.481923444e+02 9.429632761e+02 1.051175290e+03 1.048392656e+03 3.387810202e+02 6.666926501e+02 9.749891923e+02 4.050655233e+02 6.436910812e+02 0.96 9.690192914e+02 5.883160748e+02 8.702012518e+02 9.606650032e+02 9.526358630e+02 3.097431596e+02 6.023129450e+02 8.876527214e+02 3.700417374e+02 5.791932733e+02 0.98 8.820184199e+02 5.324868864e+02 7.956221148e+02 8.812021127e+02 8.721220804e+02 2.799831061e+02 5.432338383e+02 8.108824276e+02 3.400869420e+02 5.203334741e+02 1.00 8.060016624e+02 4.861148186e+02 7.256920165e+02 8.098049389e+02 8.037043597e+02 2.516001947e+02 4.882038414e+02 7.459863998e+02 3.117712388e+02 4.699153158e+02 1.02 7.414372233e+02 4.471443079e+02 6.603744091e+02 7.456270584e+02 7.433375502e+02 2.220862425e+02 4.383018968e+02 6.912434778e+02 2.857027645e+02 4.259173797e+02 1.04 6.907260987e+02 4.102898165e+02 6.045134485e+02 6.908402713e+02 6.908426706e+02 1.950916805e+02 3.955247707e+02 6.421578055e+02 2.633509314e+02 3.912548534e+02 1.06 6.458600951e+02 3.704661759e+02 5.551607155e+02 6.418994421e+02 6.435363525e+02 1.714921191e+02 3.608674181e+02 5.901887539e+02 2.425048016e+02 3.611284634e+02 1.08 5.955943892e+02 3.299314465e+02 5.135941568e+02 5.928013838e+02 5.965481162e+02 1.534249509e+02 3.336283477e+02 5.332757419e+02 2.204486340e+02 3.351223175e+02 1.10 5.386784438e+02 2.944856123e+02 4.786135647e+02 5.404941173e+02 5.462332108e+02 1.419420090e+02 3.111373556e+02 4.783171617e+02 1.974664204e+02 3.137730066e+02 1.12 4.823408558e+02 2.660522452e+02 4.412428285e+02 4.886225677e+02 4.948522905e+02 1.327628075e+02 2.894496636e+02 4.316474922e+02 1.754540629e+02 2.947393228e+02 1.14 4.336369819e+02 2.454502827e+02 3.978597818e+02 4.418159715e+02 4.472422505e+02 1.220279663e+02 2.675977806e+02 3.951108157e+02 1.570759150e+02 2.768736030e+02 1.16 3.965105535e+02 2.303331730e+02 3.535700671e+02 4.032948709e+02 4.069679873e+02 1.102621579e+02 2.463788199e+02 3.661985477e+02 1.429828175e+02 2.578233409e+02 1.18 3.700835717e+02 2.167510933e+02 3.146214405e+02 3.728351156e+02 3.744579899e+02 9.885245775e+01 2.269686185e+02 3.417593942e+02 1.304177651e+02 2.348855337e+02 1.20 3.461351773e+02 2.038955101e+02 2.851802018e+02 3.454379468e+02 3.451716125e+02 8.899362918e+01 2.104298434e+02 3.188157094e+02 1.180238636e+02 2.108282106e+02 1.22 3.236473157e+02 1.907914162e+02 2.642653343e+02 3.203561424e+02 3.179186251e+02 8.132104094e+01 1.969041992e+02 2.966763314e+02 1.055802767e+02 1.885552460e+02 1.24 3.033815466e+02 1.764793755e+02 2.479216173e+02 2.981243073e+02 2.932145273e+02 7.505395929e+01 1.843083114e+02 2.763139332e+02 9.360486717e+01 1.702832965e+02 1.26 2.852684498e+02 1.604803510e+02 2.323875820e+02 2.783596480e+02 2.714747052e+02 6.877400063e+01 1.711625479e+02 2.570322415e+02 8.329430463e+01 1.567191116e+02 1.28 2.651966265e+02 1.436368151e+02 2.173785017e+02 2.582455490e+02 2.512990690e+02 6.261393865e+01 1.580312924e+02 2.366205012e+02 7.497141152e+01 1.434423469e+02 1.30 2.427893649e+02 1.276759658e+02 2.034494675e+02 2.377056151e+02 2.326204796e+02 5.702394681e+01 1.443629446e+02 2.164874679e+02 6.756399570e+01 1.279791102e+02 1.32 2.202918442e+02 1.141858789e+02 1.909872319e+02 2.179434792e+02 2.155869741e+02 5.232081597e+01 1.299915034e+02 1.982176004e+02 6.087449069e+01 1.122423533e+02 1.34 1.998541865e+02 1.037256467e+02 1.801408201e+02 1.998755342e+02 1.998826713e+02 4.863512250e+01 1.160618241e+02 1.820987340e+02 5.511524675e+01 9.814949744e+01 1.36 1.830398633e+02 9.603590885e+01 1.704617292e+02 1.846612282e+02 1.862643162e+02 4.562921082e+01 1.023397258e+02 1.686737085e+02 5.006344595e+01 8.707196475e+01 1.38 1.705858497e+02 8.988970080e+01 1.612982503e+02 1.728491363e+02 1.750928483e+02 4.280384326e+01 8.881933140e+01 1.574967152e+02 4.592227630e+01 7.964545100e+01 1.40 1.615685500e+02 8.469627505e+01 1.526163363e+02 1.637413174e+02 1.658954038e+02 4.014344951e+01 7.692783933e+01 1.472001067e+02 4.269287950e+01 7.506210205e+01 1.42 1.522150873e+02 7.940582537e+01 1.437572087e+02 1.545002088e+02 1.567684751e+02 3.763835484e+01 6.755569901e+01 1.365651926e+02 4.004556179e+01 7.046805863e+01 1.44 1.417379544e+02 7.371376572e+01 1.343199751e+02 1.445278441e+02 1.473039954e+02 3.527946067e+01 6.035730802e+01 1.258777848e+02 3.755087947e+01 6.544413438e+01 1.46 1.308285127e+02 6.791149789e+01 1.247462674e+02 1.343370132e+02 1.378355528e+02 3.305820993e+01 5.485719365e+01 1.158243612e+02 3.512764738e+01 6.027619561e+01 1.48 1.202265711e+02 6.231179974e+01 1.141917563e+02 1.241372203e+02 1.280416367e+02 3.050493337e+01 5.068165164e+01 1.069516390e+02 3.257474642e+01 5.527169184e+01 1.50 1.105858691e+02 5.717190303e+01 1.016507646e+02 1.140422213e+02 1.174953966e+02 2.711160498e+01 4.704169714e+01 9.958858933e+01 2.992671832e+01 5.070348617e+01 1.52 1.023734292e+02 5.186522445e+01 8.856584361e+01 1.046881304e+02 1.070016851e+02 2.327631098e+01 4.340734022e+01 9.352668618e+01 2.724891154e+01 4.676728314e+01 1.54 9.581458321e+01 4.634148244e+01 7.632073514e+01 9.656120204e+01 9.730753967e+01 1.943743501e+01 3.994430135e+01 8.818816214e+01 2.468009647e+01 4.355779522e+01 1.56 9.072737108e+01 4.094997926e+01 6.589843589e+01 8.981350484e+01 8.889923964e+01 1.598193552e+01 3.679505602e+01 8.343426893e+01 2.234036645e+01 4.099807082e+01 1.58 8.604641793e+01 3.532521253e+01 5.744989730e+01 8.386689440e+01 8.168677207e+01 1.318894250e+01 3.405644991e+01 7.828182864e+01 2.017567392e+01 3.863764329e+01 1.60 8.159280249e+01 2.984014715e+01 5.133643184e+01 7.871693864e+01 7.584036629e+01 1.120704247e+01 3.176940708e+01 7.269549553e+01 1.818855515e+01 3.639947328e+01 1.62 7.731754922e+01 2.498078069e+01 4.765089910e+01 7.435142770e+01 7.138459088e+01 1.005810395e+01 2.985875290e+01 6.615871244e+01 1.636897836e+01 3.426717825e+01 1.64 7.166560851e+01 2.098495522e+01 4.508053753e+01 6.906679675e+01 6.646710175e+01 9.291884015e+00 2.806857162e+01 5.846571641e+01 1.467061016e+01 3.181795259e+01 1.66 6.430734827e+01 1.799602698e+01 4.263291295e+01 6.230915454e+01 6.030976125e+01 8.570333997e+00 2.637086822e+01 5.042399089e+01 1.312998336e+01 2.895709631e+01 1.68 5.603787426e+01 1.561500252e+01 4.030237787e+01 5.476690031e+01 5.349454359e+01 7.890981758e+00 2.476110549e+01 4.279881439e+01 1.176467276e+01 2.589151289e+01 1.70 4.769663077e+01 1.365366926e+01 3.808354555e+01 4.716868419e+01 4.663953761e+01 7.251491610e+00 2.323496530e+01 3.620566829e+01 1.060944990e+01 2.284212686e+01 1.72 4.003538945e+01 1.216310910e+01 3.593742222e+01 4.016739907e+01 4.029881690e+01 6.632391432e+00 2.174241115e+01 3.104959245e+01 9.673156666e+00 2.001125899e+01 1.74 3.362497807e+01 1.096749862e+01 3.325179235e+01 3.421314559e+01 3.480153277e+01 5.726750133e+00 2.011393184e+01 2.723928588e+01 8.734497881e+00 1.755793234e+01 1.76 2.881182756e+01 9.913883311e+00 2.997311492e+01 2.961128604e+01 3.041162404e+01 4.530434312e+00 1.839035730e+01 2.459739993e+01 7.625286102e+00 1.558352595e+01 1.78 2.571914759e+01 9.009067032e+00 2.637317150e+01 2.649730326e+01 2.727655298e+01 3.211213650e+00 1.664638161e+01 2.300262341e+01 6.428103502e+00 1.412748184e+01 1.80 2.408553922e+01 8.235323088e+00 2.274002011e+01 2.466594375e+01 2.524719272e+01 1.932738380e+00 1.495795711e+01 2.164360767e+01 5.233817567e+00 1.311735152e+01 1.82 2.270219476e+01 7.514914970e+00 1.933765671e+01 2.307564556e+01 2.344965083e+01 8.206228191e-01 1.339269462e+01 2.034893265e+01 4.123219288e+00 1.220985063e+01 1.84 2.138290090e+01 6.834336729e+00 1.637614697e+01 2.158153180e+01 2.178047401e+01 -5.560321945e-02 1.200269904e+01 1.911579503e+01 3.156943225e+00 1.135064987e+01 1.86 2.012492316e+01 6.191692217e+00 1.399531950e+01 2.019481842e+01 2.026484694e+01 -6.807001983e-01 1.082037328e+01 1.794150975e+01 2.371339527e+00 1.053738536e+01 1.88 1.892564022e+01 5.585169163e+00 1.226124458e+01 1.892046383e+01 1.891531705e+01 -1.075691015e+00 9.857124277e+00 1.680011965e+01 1.773247403e+00 9.767805278e+00 1.90 1.778253926e+01 5.013035611e+00 1.116994736e+01 1.775678398e+01 1.773102871e+01 -1.274586986e+00 9.088930690e+00 1.562264231e+01 1.260935414e+00 9.039764658e+00 1.92 1.669321152e+01 4.473636516e+00 1.036244722e+01 1.666896946e+01 1.664472739e+01 -1.393810586e+00 8.370954167e+00 1.442492178e+01 7.577045381e-01 8.351220348e+00 1.94 1.565534801e+01 3.965390477e+00 9.595017545e+00 1.563255107e+01 1.560975413e+01 -1.504697533e+00 7.474622893e+00 1.323353948e+01 2.184646426e-01 7.700226261e+00 1.96 1.466673539e+01 3.486786601e+00 8.865918007e+00 1.464531816e+01 1.462390094e+01 -1.607642191e+00 6.391314098e+00 1.207637392e+01 -3.107864248e-01 7.084928819e+00 1.98 1.372524870e+01 3.036381506e+00 8.173478999e+00 1.370514837e+01 1.368504804e+01 -1.703022711e+00 5.205635645e+00 1.097953116e+01 -7.913890275e-01 6.503557727e+00 2.00 1.270167231e+01 2.612796436e+00 7.516098843e+00 1.268412323e+01 1.266657415e+01 -1.791201648e+00 4.005917955e+00 9.885364781e+00 -1.197726608e+00 5.772549154e+00 2.02 1.150370103e+01 2.214714508e+00 6.892241140e+00 1.149094471e+01 1.147818839e+01 -1.872526559e+00 2.872009222e+00 8.753885457e+00 -1.518403087e+00 4.772200597e+00 2.04 1.019119127e+01 1.840878059e+00 6.300432216e+00 1.018499301e+01 1.017879474e+01 -1.947330581e+00 1.866407703e+00 7.632455404e+00 -1.753894682e+00 3.610372093e+00 2.06 8.831839925e+00 1.490086120e+00 5.739258657e+00 8.833386505e+00 8.834933085e+00 -2.015932982e+00 1.029971462e+00 6.564907160e+00 -1.912069014e+00 2.404512719e+00 2.08 7.493507152e+00 1.161191976e+00 5.207364953e+00 7.503323349e+00 7.513139545e+00 -2.078639698e+00 3.821813329e-01 5.573664172e+00 -2.005153648e+00 1.261633392e+00 2.10 6.237526754e+00 8.531008454e-01 4.703451220e+00 6.255426633e+00 6.273326513e+00 -2.135743844e+00 -7.528187203e-02 4.645780371e+00 -2.076020539e+00 2.625698780e-01 2.12 5.113716909e+00 5.647676416e-01 4.226271010e+00 5.138810224e+00 5.163903538e+00 -2.187526212e+00 -3.538815045e-01 3.808363505e+00 -2.140153549e+00 -5.462174888e-01 2.14 4.157407005e+00 2.951948366e-01 3.774629215e+00 4.188177170e+00 4.218947335e+00 -2.234255748e+00 -5.506145608e-01 3.083383496e+00 -2.197920686e+00 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