# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2004--Mishin-Y--Ni-Al # implementation = 2004--Mishin-Y--Ni-Al--LAMMPS--ipr2 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Al Al Al Ni Ni Ni 0.02 3.446377395e+01 3.404743041e+02 -1.496470519e-01 0.04 3.354816056e+01 3.298184325e+02 6.962634701e-02 0.06 3.264957428e+01 3.193930113e+02 2.796040986e-01 0.08 3.176784326e+01 3.091954508e+02 4.804256547e-01 0.10 3.090279565e+01 2.992231616e+02 6.722305042e-01 0.12 3.005425963e+01 2.894735543e+02 8.551581723e-01 0.14 2.922206335e+01 2.799440394e+02 1.029348219e+00 0.16 2.840603496e+01 2.706320274e+02 1.194940238e+00 0.18 2.760600264e+01 2.615349287e+02 1.352073855e+00 0.20 2.682179454e+01 2.526501538e+02 1.500888731e+00 0.22 2.605323883e+01 2.439751132e+02 1.641524557e+00 0.24 2.530016367e+01 2.355072173e+02 1.774121054e+00 0.26 2.456239722e+01 2.272438766e+02 1.898817974e+00 0.28 2.383976765e+01 2.191825014e+02 2.015755100e+00 0.30 2.313210312e+01 2.113205023e+02 2.125072239e+00 0.32 2.243923179e+01 2.036552896e+02 2.226909230e+00 0.34 2.176098184e+01 1.961842737e+02 2.321405937e+00 0.36 2.109718142e+01 1.889048649e+02 2.408702253e+00 0.38 2.044765871e+01 1.818144738e+02 2.488938096e+00 0.40 1.981224187e+01 1.749105105e+02 2.562253410e+00 0.42 1.919075907e+01 1.681903856e+02 2.628788166e+00 0.44 1.858303848e+01 1.616515092e+02 2.688682360e+00 0.46 1.798890826e+01 1.552912919e+02 2.742076014e+00 0.48 1.740819660e+01 1.491071438e+02 2.789109172e+00 0.50 1.684073165e+01 1.430964753e+02 2.829921905e+00 0.52 1.628634159e+01 1.372566968e+02 2.864654308e+00 0.54 1.574485460e+01 1.315852185e+02 2.893446500e+00 0.56 1.521609885e+01 1.260794508e+02 2.916438623e+00 0.58 1.469990250e+01 1.207368039e+02 2.933770847e+00 0.60 1.419609374e+01 1.155546881e+02 2.945583362e+00 0.62 1.370450074e+01 1.105305136e+02 2.952016386e+00 0.64 1.322495168e+01 1.056616909e+02 2.953210157e+00 0.66 1.275727473e+01 1.009456300e+02 2.949304941e+00 0.68 1.230129808e+01 9.637974134e+01 2.940441027e+00 0.70 1.185684990e+01 9.196143506e+01 2.926758730e+00 0.72 1.142375838e+01 8.768812143e+01 2.908398390e+00 0.74 1.100185169e+01 8.355721069e+01 2.885500370e+00 0.76 1.059095802e+01 7.956611306e+01 2.858205061e+00 0.78 1.019090555e+01 7.571223875e+01 2.826652880e+00 0.80 9.801522465e+00 7.199299798e+01 2.790984269e+00 0.82 9.422636953e+00 6.840580096e+01 2.751339698e+00 0.84 9.054077199e+00 6.494805788e+01 2.707859663e+00 0.86 8.695671392e+00 6.161717893e+01 2.660684688e+00 0.88 8.347247722e+00 5.841057431e+01 2.609955326e+00 0.90 8.008634379e+00 5.532565419e+01 2.555812157e+00 0.92 7.679659555e+00 5.235982874e+01 2.498395792e+00 0.94 7.360151444e+00 4.951050814e+01 2.437846871e+00 0.96 7.049938240e+00 4.677510254e+01 2.374306066e+00 0.98 6.748848139e+00 4.415102211e+01 2.307914079e+00 1.00 6.456709338e+00 4.163567700e+01 2.238811643e+00 1.02 6.173350037e+00 3.922647734e+01 2.167139526e+00 1.04 5.898598437e+00 3.692083329e+01 2.093038527e+00 1.06 5.632282739e+00 3.471615498e+01 2.016649479e+00 1.08 5.374231147e+00 3.260985255e+01 1.938113252e+00 1.10 5.124271866e+00 3.059933612e+01 1.857570752e+00 1.12 4.882233104e+00 2.868201583e+01 1.775162919e+00 1.14 4.647943069e+00 2.685530178e+01 1.691030734e+00 1.16 4.421229971e+00 2.511660412e+01 1.605315215e+00 1.18 4.201922023e+00 2.346333295e+01 1.518157417e+00 1.20 3.989847438e+00 2.189289839e+01 1.429698440e+00 1.22 3.784834433e+00 2.040271057e+01 1.340079423e+00 1.24 3.586711225e+00 1.899017961e+01 1.249441547e+00 1.26 3.395306035e+00 1.765271561e+01 1.157926037e+00 1.28 3.210447084e+00 1.638772871e+01 1.065674165e+00 1.30 3.031962596e+00 1.519262903e+01 9.728272451e-01 1.32 2.859680798e+00 1.406482671e+01 8.795266424e-01 1.34 2.693429919e+00 1.300173188e+01 7.859137687e-01 1.36 2.533038188e+00 1.200075468e+01 6.921300855e-01 1.38 2.378333839e+00 1.105930527e+01 5.983171052e-01 1.40 2.229145108e+00 1.017479381e+01 5.046163938e-01 1.42 2.085300233e+00 9.344630483e+00 4.111695727e-01 1.44 1.946627456e+00 8.566225479e+00 3.181183188e-01 1.46 1.812955018e+00 7.836989006e+00 2.256043654e-01 1.48 1.684111167e+00 7.154331291e+00 1.337695073e-01 1.50 1.559924151e+00 6.515662587e+00 4.275560192e-02 1.52 1.440222879e+00 5.918395117e+00 -4.729437566e-02 1.54 1.324842929e+00 5.359994566e+00 -1.362326437e-01 1.56 1.213627860e+00 4.838066483e+00 -2.239145752e-01 1.58 1.106427587e+00 4.350363503e+00 -3.102019853e-01 1.60 1.003098002e+00 3.894776352e+00 -3.949632095e-01 1.62 9.035006290e-01 3.469325373e+00 -4.780732021e-01 1.64 8.075023047e-01 3.072152584e+00 -5.594135952e-01 1.66 7.149749104e-01 2.701514205e+00 -6.388727611e-01 1.68 6.257951148e-01 2.355773644e+00 -7.163458695e-01 1.70 5.398441551e-01 2.033394910e+00 -7.917349359e-01 1.72 4.570076481e-01 1.732936423e+00 -8.649488438e-01 1.74 3.771754077e-01 1.453045207e+00 -9.359033728e-01 1.76 3.002413171e-01 1.192451432e+00 -1.004521230e+00 1.78 2.261031915e-01 9.499632904e-01 -1.070732050e+00 1.80 1.546626775e-01 7.244621822e-01 -1.134472382e+00 1.82 8.582516803e-02 5.148981973e-01 -1.195685682e+00 1.84 1.949972405e-02 3.202858824e-01 -1.254322272e+00 1.86 -4.440098755e-02 1.397002436e-01 -1.310339292e+00 1.88 -1.059607389e-01 -2.772698405e-02 -1.363700637e+00 1.90 -1.652597937e-01 -1.828108489e-01 -1.414376896e+00 1.92 -2.223749378e-01 -3.263164835e-01 -1.462345260e+00 1.94 -2.773795255e-01 -4.589621914e-01 -1.507589419e+00 1.96 -3.303435103e-01 -5.814223513e-01 -1.550099458e+00 1.98 -3.813334847e-01 -6.943301475e-01 -1.589871726e+00 2.00 -4.304127239e-01 -7.982801006e-01 -1.626908705e+00 2.02 -4.776412324e-01 -8.938304801e-01 -1.661218860e+00 2.04 -5.230758009e-01 -9.815055353e-01 -1.692816472e+00 2.06 -5.667700691e-01 -1.061797616e+00 -1.721721468e+00 2.08 -6.087745984e-01 -1.135169150e+00 -1.747959236e+00 2.10 -6.491369542e-01 -1.202054488e+00 -1.771560429e+00 2.12 -6.879018025e-01 -1.262861660e+00 -1.792560755e+00 2.14 -7.251110141e-01 -1.317973998e+00 -1.811000768e+00 2.16 -7.608037807e-01 -1.367751664e+00 -1.826925638e+00 2.18 -7.950167423e-01 -1.412533093e+00 -1.840384913e+00 2.20 -8.277841272e-01 -1.452636325e+00 -1.851432283e+00 2.22 -8.591379003e-01 -1.488360281e+00 -1.860125327e+00 2.24 -8.891079196e-01 -1.519985933e+00 -1.866525255e+00 2.26 -9.177220998e-01 -1.547777407e+00 -1.870696649e+00 2.28 -9.450065846e-01 -1.571983040e+00 -1.872707194e+00 2.30 -9.709859224e-01 -1.592836326e+00 -1.872627408e+00 2.32 -9.956832449e-01 -1.610556848e+00 -1.870530368e+00 2.34 -1.019120446e+00 -1.625351122e+00 -1.866491429e+00 2.36 -1.041318369e+00 -1.637413392e+00 -1.860587955e+00 2.38 -1.062296986e+00 -1.646926387e+00 -1.852899030e+00 2.40 -1.082075577e+00 -1.654062021e+00 -1.843505189e+00 2.42 -1.100672903e+00 -1.658982038e+00 -1.832488137e+00 2.44 -1.118107378e+00 -1.661838650e+00 -1.819930475e+00 2.46 -1.134397227e+00 -1.662775091e+00 -1.805915431e+00 2.48 -1.149560630e+00 -1.661926162e+00 -1.790526593e+00 2.50 -1.163615876e+00 -1.659418755e+00 -1.773847647e+00 2.52 -1.176581487e+00 -1.655372301e+00 -1.755962122e+00 2.54 -1.188476340e+00 -1.649899219e+00 -1.736953144e+00 2.56 -1.199319776e+00 -1.643105356e+00 -1.716903192e+00 2.58 -1.209131696e+00 -1.635090338e+00 -1.695893867e+00 2.60 -1.217932639e+00 -1.625947964e+00 -1.674005671e+00 2.62 -1.225743843e+00 -1.615766543e+00 -1.651317792e+00 2.64 -1.232587307e+00 -1.604629193e+00 -1.627907902e+00 2.66 -1.238485813e+00 -1.592614176e+00 -1.603851967e+00 2.68 -1.243462962e+00 -1.579795154e+00 -1.579224068e+00 2.70 -1.247543187e+00 -1.566241449e+00 -1.554096232e+00 2.72 -1.250751747e+00 -1.552018326e+00 -1.528538283e+00 2.74 -1.253114714e+00 -1.537187171e+00 -1.502617695e+00 2.76 -1.254658945e+00 -1.521805760e+00 -1.476399467e+00 2.78 -1.255412031e+00 -1.505928434e+00 -1.449946006e+00 2.80 -1.255402257e+00 -1.489606284e+00 -1.423317032e+00 2.82 -1.254658546e+00 -1.472887374e+00 -1.396569490e+00 2.84 -1.253210392e+00 -1.455816832e+00 -1.369757474e+00 2.86 -1.251087789e+00 -1.438437109e+00 -1.342932170e+00 2.88 -1.248321147e+00 -1.420788025e+00 -1.316141811e+00 2.90 -1.244941188e+00 -1.402906984e+00 -1.289431646e+00 2.92 -1.240978870e+00 -1.384829078e+00 -1.262843922e+00 2.94 -1.236465284e+00 -1.366587178e+00 -1.236417885e+00 2.96 -1.231431570e+00 -1.348212135e+00 -1.210189771e+00 2.98 -1.225908816e+00 -1.329732761e+00 -1.184192833e+00 3.00 -1.219927948e+00 -1.311176097e+00 -1.158457391e+00 3.02 -1.213519633e+00 -1.292567296e+00 -1.133010858e+00 3.04 -1.206714163e+00 -1.273929969e+00 -1.107877773e+00 3.06 -1.199541387e+00 -1.255285988e+00 -1.083079905e+00 3.08 -1.192030613e+00 -1.236655867e+00 -1.058636320e+00 3.10 -1.184210517e+00 -1.218058512e+00 -1.034563419e+00 3.12 -1.176109054e+00 -1.199511637e+00 -1.010875076e+00 3.14 -1.167753345e+00 -1.181031486e+00 -9.875827422e-01 3.16 -1.159169636e+00 -1.162633209e+00 -9.646954751e-01 3.18 -1.150383226e+00 -1.144330683e+00 -9.422201480e-01 3.20 -1.141418410e+00 -1.126136678e+00 -9.201615179e-01 3.22 -1.132298401e+00 -1.108063000e+00 -8.985222832e-01 3.24 -1.123045262e+00 -1.090120198e+00 -8.773033797e-01 3.26 -1.113679874e+00 -1.072318197e+00 -8.565038564e-01 3.28 -1.104221914e+00 -1.054665638e+00 -8.361212724e-01 3.30 -1.094689832e+00 -1.037170541e+00 -8.161516205e-01 3.32 -1.085100798e+00 -1.019840077e+00 -7.965895693e-01 3.34 -1.075470674e+00 -1.002680304e+00 -7.774285370e-01 3.36 -1.065813998e+00 -9.856970354e-01 -7.586608290e-01 3.38 -1.056144031e+00 -9.688949799e-01 -7.402778818e-01 3.40 -1.046472741e+00 -9.522781612e-01 -7.222701282e-01 3.42 -1.036810803e+00 -9.358504598e-01 -7.046273669e-01 3.44 -1.027167551e+00 -9.196144491e-01 -6.873389133e-01 3.46 -1.017551075e+00 -9.035721368e-01 -6.703932919e-01 3.48 -1.007968243e+00 -8.877255945e-01 -6.537791824e-01 3.50 -9.984247521e-01 -8.720761204e-01 -6.374842144e-01 3.52 -9.889250761e-01 -8.566243602e-01 -6.214966523e-01 3.54 -9.794725460e-01 -8.413711884e-01 -6.058043498e-01 3.56 -9.700694102e-01 -8.263168054e-01 -5.903953464e-01 3.58 -9.607169348e-01 -8.114591736e-01 -5.752583454e-01 3.60 -9.514153874e-01 -7.967964844e-01 -5.603799200e-01 3.62 -9.421640733e-01 -7.823274881e-01 -5.457488353e-01 3.64 -9.329613953e-01 -7.680513262e-01 -5.313544730e-01 3.66 -9.238050077e-01 -7.539674301e-01 -5.171877572e-01 3.68 -9.146918537e-01 -7.400753388e-01 -5.032408765e-01 3.70 -9.056181575e-01 -7.263756285e-01 -4.895036170e-01 3.72 -8.965794631e-01 -7.128655298e-01 -4.759606001e-01 3.74 -8.875708109e-01 -6.995393730e-01 -4.625984751e-01 3.76 -8.785868373e-01 -6.863875804e-01 -4.494084710e-01 3.78 -8.696217415e-01 -6.734030133e-01 -4.363926613e-01 3.80 -8.606693150e-01 -6.605807266e-01 -4.235545303e-01 3.82 -8.517230560e-01 -6.479167307e-01 -4.109102874e-01 3.84 -8.427763580e-01 -6.354124032e-01 -3.984506784e-01 3.86 -8.338224832e-01 -6.230738185e-01 -3.861518050e-01 3.88 -8.248545778e-01 -6.109053105e-01 -3.739822023e-01 3.90 -8.158656633e-01 -5.989105788e-01 -3.618982926e-01 3.92 -8.068489207e-01 -5.870913881e-01 -3.498993563e-01 3.94 -7.977977028e-01 -5.754557976e-01 -3.379833533e-01 3.96 -7.887055224e-01 -5.639946019e-01 -3.261816649e-01 3.98 -7.795659199e-01 -5.526878989e-01 -3.145764485e-01 4.00 -7.703727848e-01 -5.415213556e-01 -3.031973246e-01 4.02 -7.611204340e-01 -5.304781006e-01 -2.920888192e-01 4.04 -7.518035880e-01 -5.195423066e-01 -2.813276475e-01 4.06 -7.424171916e-01 -5.087058958e-01 -2.708903956e-01 4.08 -7.329565929e-01 -4.979645338e-01 -2.606541804e-01 4.10 -7.234177364e-01 -4.873159338e-01 -2.505254595e-01 4.12 -7.137971826e-01 -4.767599615e-01 -2.404597131e-01 4.14 -7.040919578e-01 -4.662980845e-01 -2.304083394e-01 4.16 -6.942994292e-01 -4.559329163e-01 -2.203285414e-01 4.18 -6.844175914e-01 -4.456679349e-01 -2.102023632e-01 4.20 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