# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2009--Kim-Y-M-Kim-N-J-Lee-B-J--Mg-Al # implementation = 2009--Kim-Y-M--Mg-Al--LAMMPS--ipr1 # 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 Mg Mg Mg 0.02 4.975659968e+02 8.672729434e+01 2.888691025e+02 0.04 4.734661694e+02 8.344729200e+01 2.768394410e+02 0.06 4.504710498e+02 8.035024248e+01 2.652922638e+02 0.08 4.285317607e+02 7.742751958e+01 2.542087331e+02 0.10 4.076015262e+02 7.466995917e+01 2.435707309e+02 0.12 3.876355837e+02 7.206796503e+01 2.333608312e+02 0.14 3.685910993e+02 6.961162748e+01 2.235622752e+02 0.16 3.504270874e+02 6.729085044e+01 2.141589451e+02 0.18 3.331043327e+02 6.509548200e+01 2.051353410e+02 0.20 3.165853158e+02 6.301544382e+01 1.964765571e+02 0.22 3.008341417e+02 6.104085481e+01 1.881682595e+02 0.24 2.858164714e+02 5.916214511e+01 1.801966648e+02 0.26 2.714994565e+02 5.737015730e+01 1.725485192e+02 0.28 2.578516757e+02 5.565623208e+01 1.652110786e+02 0.30 2.448430748e+02 5.401227718e+01 1.581720895e+02 0.32 2.324449089e+02 5.243081874e+01 1.514197703e+02 0.34 2.206296864e+02 5.090503506e+01 1.449427936e+02 0.36 2.093711163e+02 4.942877383e+01 1.387302689e+02 0.38 1.986440572e+02 4.799655397e+01 1.327717263e+02 0.40 1.884244678e+02 4.660355385e+01 1.270571005e+02 0.42 1.786893608e+02 4.524558819e+01 1.215767152e+02 0.44 1.694167576e+02 4.391907534e+01 1.163212689e+02 0.46 1.605856451e+02 4.262099752e+01 1.112818202e+02 0.48 1.521759346e+02 4.134885594e+01 1.064497744e+02 0.50 1.441684226e+02 4.010062257e+01 1.018168700e+02 0.52 1.365447521e+02 3.887469049e+01 9.737516680e+01 0.54 1.292873771e+02 3.766982419e+01 9.311703270e+01 0.56 1.223795272e+02 3.648511080e+01 8.903513267e+01 0.58 1.158051746e+02 3.531991365e+01 8.512241718e+01 0.60 1.095490020e+02 3.417382840e+01 8.137211134e+01 0.62 1.035963721e+02 3.304664248e+01 7.777770445e+01 0.64 9.793329796e+01 3.193829816e+01 7.433293991e+01 0.66 9.254641541e+01 3.084885928e+01 7.103180550e+01 0.68 8.742295569e+01 2.977848177e+01 6.786852407e+01 0.70 8.255071991e+01 2.872738779e+01 6.483754453e+01 0.72 7.791805426e+01 2.769584344e+01 6.193353320e+01 0.74 7.351382635e+01 2.668413966e+01 5.915136547e+01 0.76 6.932740265e+01 2.569257631e+01 5.648611785e+01 0.78 6.534862665e+01 2.472144890e+01 5.393306014e+01 0.80 6.156779820e+01 2.377103789e+01 5.148764814e+01 0.82 5.797565359e+01 2.284160022e+01 4.914551641e+01 0.84 5.456334641e+01 2.193336272e+01 4.690247144e+01 0.86 5.132242944e+01 2.104651726e+01 4.475448505e+01 0.88 4.824483708e+01 2.018121739e+01 4.269768798e+01 0.90 4.532286865e+01 1.933757615e+01 4.072836382e+01 0.92 4.254917243e+01 1.851566498e+01 3.884294308e+01 0.94 3.991673023e+01 1.771551345e+01 3.703799754e+01 0.96 3.741884280e+01 1.693710974e+01 3.531023480e+01 0.98 3.504911575e+01 1.618040165e+01 3.365649301e+01 1.00 3.280144610e+01 1.544529808e+01 3.207373587e+01 1.02 3.067000939e+01 1.473167083e+01 3.055904771e+01 1.04 2.864924742e+01 1.403935670e+01 2.910962888e+01 1.06 2.673385637e+01 1.336815971e+01 2.772279122e+01 1.08 2.491877560e+01 1.271785347e+01 2.639595375e+01 1.10 2.319917678e+01 1.208818362e+01 2.512663850e+01 1.12 2.157045360e+01 1.147887026e+01 2.391246652e+01 1.14 2.002821191e+01 1.088961040e+01 2.275115406e+01 1.16 1.856826020e+01 1.032008031e+01 2.164050881e+01 1.18 1.718660058e+01 9.769937886e+00 2.057842639e+01 1.20 1.587942018e+01 9.238824836e+00 1.956288692e+01 1.22 1.464308283e+01 8.726368858e+00 1.859195168e+01 1.24 1.347412117e+01 8.232185657e+00 1.766376004e+01 1.26 1.236922912e+01 7.755880870e+00 1.677652630e+01 1.28 1.132525461e+01 7.297051881e+00 1.592853687e+01 1.30 1.033919273e+01 6.855289505e+00 1.511814735e+01 1.32 9.408179101e+00 6.430179572e+00 1.434377993e+01 1.34 8.529483584e+00 6.021304386e+00 1.360392068e+01 1.36 7.700504237e+00 5.628244078e+00 1.289711712e+01 1.38 6.918761553e+00 5.250577849e+00 1.222197578e+01 1.40 6.181892946e+00 4.887885105e+00 1.157715988e+01 1.42 5.487647480e+00 4.539746498e+00 1.096138711e+01 1.44 4.833880805e+00 4.205744863e+00 1.037342751e+01 1.46 4.218550339e+00 3.885466063e+00 9.812101350e+00 1.48 3.639710637e+00 3.578499750e+00 9.276277210e+00 1.50 3.095508955e+00 3.284440022e+00 8.764870036e+00 1.52 2.584181019e+00 3.002885997e+00 8.276839322e+00 1.54 2.104046959e+00 2.733442294e+00 7.811187345e+00 1.56 1.653507419e+00 2.475719398e+00 7.366957463e+00 1.58 1.231039841e+00 2.229333919e+00 6.943232492e+00 1.60 8.351949008e-01 1.993908717e+00 6.539133131e+00 1.62 4.645930974e-01 1.769072870e+00 6.153816453e+00 1.64 1.179215030e-01 1.554461468e+00 5.786474458e+00 1.66 -2.060693611e-01 1.349715202e+00 5.436332667e+00 1.68 -5.085684937e-01 1.154479726e+00 5.102648787e+00 1.70 -7.907072555e-01 9.684047791e-01 4.784711410e+00 1.72 -1.053562087e+00 7.911430462e-01 4.481838776e+00 1.74 -1.298157086e+00 6.223487896e-01 4.193377569e+00 1.76 -1.525466484e+00 4.616762687e-01 3.918701772e+00 1.78 -1.736416992e+00 3.087780267e-01 3.657211552e+00 1.80 -1.931890042e+00 1.633031475e-01 3.408332201e+00 1.82 -2.112723920e+00 2.489563438e-02 3.171513104e+00 1.84 -2.279715802e+00 -1.068068885e-01 2.946226756e+00 1.86 -2.433623681e+00 -2.321738972e-01 2.731967813e+00 1.88 -2.575168220e+00 -3.515818117e-01 2.528252177e+00 1.90 -2.705034493e+00 -4.654126126e-01 2.334616120e+00 1.92 -2.823873667e+00 -5.740508563e-01 2.150615444e+00 1.94 -2.932304586e+00 -6.778787183e-01 1.975824663e+00 1.96 -3.030915285e+00 -7.772687413e-01 1.809836231e+00 1.98 -3.120264438e+00 -8.725741094e-01 1.652259793e+00 2.00 -3.200882732e+00 -9.641165134e-01 1.502721462e+00 2.02 -3.273274177e+00 -1.052172074e+00 1.360863140e+00 2.04 -3.337917358e+00 -1.136956355e+00 1.226341846e+00 2.06 -3.395266630e+00 -1.218610185e+00 1.098829092e+00 2.08 -3.445753254e+00 -1.297188681e+00 9.780102733e-01 2.10 -3.489786485e+00 -1.372656374e+00 8.635840853e-01 2.12 -3.527754614e+00 -1.444891237e+00 7.552619703e-01 2.14 -3.560025953e+00 -1.513699542e+00 6.527675851e-01 2.16 -3.586949788e+00 -1.578841588e+00 5.558362907e-01 2.18 -3.608857279e+00 -1.640065762e+00 4.642146682e-01 2.20 -3.626062331e+00 -1.697145843e+00 3.776600532e-01 2.22 -3.638862414e+00 -1.749914867e+00 2.959400910e-01 2.24 -3.647539357e+00 -1.798289257e+00 2.188323143e-01 2.26 -3.652360102e+00 -1.842279158e+00 1.461237367e-01 2.28 -3.653577425e+00 -1.881984498e+00 7.761046558e-02 2.30 -3.651430623e+00 -1.917579648e+00 1.309733315e-02 2.32 -3.646146176e+00 -1.949291646e+00 -4.760245909e-02 2.34 -3.637938375e+00 -1.977377203e+00 -1.046676779e-01 2.36 -3.627009919e+00 -2.002102506e+00 -1.582693830e-01 2.38 -3.613552493e+00 -2.023728013e+00 -2.085712384e-01 2.40 -3.597747313e+00 -2.042498685e+00 -2.557298101e-01 2.42 -3.579765648e+00 -2.058638968e+00 -2.998948530e-01 2.44 -3.559769318e+00 -2.072351287e+00 -3.412095869e-01 2.46 -3.537911170e+00 -2.083816808e+00 -3.798109610e-01 2.48 -3.514335532e+00 -2.093197391e+00 -4.158299098e-01 2.50 -3.489178643e+00 -2.100638033e+00 -4.493916001e-01 2.52 -3.462569063e+00 -2.106269312e+00 -4.806156680e-01 2.54 -3.434628069e+00 -2.110209618e+00 -5.096164495e-01 2.56 -3.405470026e+00 -2.112567056e+00 -5.365032020e-01 2.58 -3.375202742e+00 -2.113441026e+00 -5.613803190e-01 2.60 -3.343927806e+00 -2.112923492e+00 -5.843475374e-01 2.62 -3.311740911e+00 -2.111100004e+00 -6.055001373e-01 2.64 -3.278732161e+00 -2.108050509e+00 -6.249291357e-01 2.66 -3.244986358e+00 -2.103849995e+00 -6.427214729e-01 2.68 -3.210583283e+00 -2.098569019e+00 -6.589601916e-01 2.70 -3.175597959e+00 -2.092274129e+00 -6.737246107e-01 2.72 -3.140100899e+00 -2.085028216e+00 -6.870904911e-01 2.74 -3.104158342e+00 -2.076890808e+00 -6.991301956e-01 2.76 -3.067832486e+00 -2.067918321e+00 -7.099128419e-01 2.78 -3.031181694e+00 -2.058164273e+00 -7.195044491e-01 2.80 -2.994260704e+00 -2.047679472e+00 -7.279680782e-01 2.82 -2.957120820e+00 -2.036512186e+00 -7.353639656e-01 2.84 -2.919810094e+00 -2.024708290e+00 -7.417496505e-01 2.86 -2.882373503e+00 -2.012311398e+00 -7.471800966e-01 2.88 -2.844853116e+00 -1.999362989e+00 -7.517078073e-01 2.90 -2.807288246e+00 -1.985902519e+00 -7.553829353e-01 2.92 -2.769715602e+00 -1.971967520e+00 -7.582533867e-01 2.94 -2.732169432e+00 -1.957593700e+00 -7.603649197e-01 2.96 -2.694681656e+00 -1.942815030e+00 -7.617612378e-01 2.98 -2.657281993e+00 -1.927663825e+00 -7.624840789e-01 3.00 -2.619998079e+00 -1.912170825e+00 -7.625732989e-01 3.02 -2.582855589e+00 -1.896365267e+00 -7.620669514e-01 3.04 -2.545878339e+00 -1.880274949e+00 -7.610013632e-01 3.06 -2.509088392e+00 -1.863926303e+00 -7.594112056e-01 3.08 -2.472506156e+00 -1.847344448e+00 -7.573295631e-01 3.10 -2.436150476e+00 -1.830553254e+00 -7.547879972e-01 3.12 -2.400038722e+00 -1.813575392e+00 -7.518166083e-01 3.14 -2.364186873e+00 -1.796432391e+00 -7.484440943e-01 3.16 -2.328609594e+00 -1.779144684e+00 -7.446978065e-01 3.18 -2.293320316e+00 -1.761731659e+00 -7.406038028e-01 3.20 -2.258331301e+00 -1.744211698e+00 -7.361868994e-01 3.22 -2.223653713e+00 -1.726602228e+00 -7.314707189e-01 3.24 -2.189297682e+00 -1.708919757e+00 -7.264777381e-01 3.26 -2.155272363e+00 -1.691179916e+00 -7.212293329e-01 3.28 -2.121585992e+00 -1.673397493e+00 -7.157458216e-01 3.30 -2.088245946e+00 -1.655586474e+00 -7.100465074e-01 3.32 -2.055258788e+00 -1.637760077e+00 -7.041497179e-01 3.34 -2.022630319e+00 -1.619930781e+00 -6.980728449e-01 3.36 -1.990365626e+00 -1.602110363e+00 -6.918323818e-01 3.38 -1.958469120e+00 -1.584309926e+00 -6.854439601e-01 3.40 -1.926944584e+00 -1.566539928e+00 -6.789223844e-01 3.42 -1.895795206e+00 -1.548810215e+00 -6.722816670e-01 3.44 -1.865023624e+00 -1.531130041e+00 -6.655350607e-01 3.46 -1.834631952e+00 -1.513508099e+00 -6.586950905e-01 3.48 -1.804621819e+00 -1.495952545e+00 -6.517735853e-01 3.50 -1.774994401e+00 -1.478471024e+00 -6.447817070e-01 3.52 -1.745750448e+00 -1.461070688e+00 -6.377299805e-01 3.54 -1.716890311e+00 -1.443758225e+00 -6.306283208e-01 3.56 -1.688413975e+00 -1.426539876e+00 -6.234860610e-01 3.58 -1.660321076e+00 -1.409421456e+00 -6.163119781e-01 3.60 -1.632610931e+00 -1.392408377e+00 -6.091143188e-01 3.62 -1.605282558e+00 -1.375505665e+00 -6.019008235e-01 3.64 -1.578334696e+00 -1.358717975e+00 -5.946787505e-01 3.66 -1.551765828e+00 -1.342049615e+00 -5.874548987e-01 3.68 -1.525574200e+00 -1.325504560e+00 -5.802356295e-01 3.70 -1.499757833e+00 -1.309086467e+00 -5.730268882e-01 3.72 -1.474314548e+00 -1.292798692e+00 -5.658342243e-01 3.74 -1.449241977e+00 -1.276644303e+00 -5.586628114e-01 3.76 -1.424537579e+00 -1.260626100e+00 -5.515174658e-01 3.78 -1.400198655e+00 -1.244746621e+00 -5.444026649e-01 3.80 -1.376222359e+00 -1.229008161e+00 -5.373225645e-01 3.82 -1.352605714e+00 -1.213412782e+00 -5.302810154e-01 3.84 -1.329345621e+00 -1.197962326e+00 -5.232815799e-01 3.86 -1.306438873e+00 -1.182658426e+00 -5.163275464e-01 3.88 -1.283882161e+00 -1.167502517e+00 -5.094219447e-01 3.90 -1.261672089e+00 -1.152495847e+00 -5.025675596e-01 3.92 -1.239805179e+00 -1.137639489e+00 -4.957669445e-01 3.94 -1.218277882e+00 -1.122934347e+00 -4.890224342e-01 3.96 -1.197086586e+00 -1.108381166e+00 -4.823361570e-01 3.98 -1.176227624e+00 -1.093980544e+00 -4.757100464e-01 4.00 -1.155697279e+00 -1.079732937e+00 -4.691458520e-01 4.02 -1.135491793e+00 -1.065638668e+00 -4.626451504e-01 4.04 -1.115607374e+00 -1.051697937e+00 -4.562093547e-01 4.06 -1.096040198e+00 -1.037910825e+00 -4.498397247e-01 4.08 -1.076786419e+00 -1.024277301e+00 -4.435373752e-01 4.10 -1.057842172e+00 -1.010797231e+00 -4.373032853e-01 4.12 -1.039203577e+00 -9.974703846e-01 -4.311383061e-01 4.14 -1.020866745e+00 -9.842964370e-01 -4.250431687e-01 4.16 -1.002827784e+00 -9.712749789e-01 -4.190184914e-01 4.18 -9.850827971e-01 -9.584055202e-01 -4.130647868e-01 4.20 -9.676278926e-01 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