# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Dickel-D-E-Baskes-M-I-Aslam-I-Barrett-C-D--Mg-Al-Zn # implementation = 2018--Dickel-D-E--Mg-Al-Zn--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 Al Zn Mg Mg Mg Zn Zn Zn 0.02 1.026948277e+05 9.489989383e+04 2.329077981e+05 8.772413638e+04 2.152970184e+05 5.285173898e+05 0.04 4.404402642e+04 4.073033183e+04 9.850498783e+04 3.769258184e+04 9.115700430e+04 2.206144226e+05 0.06 2.557688900e+04 2.366303553e+04 5.653359721e+04 2.191811996e+04 5.236330592e+04 1.252482409e+05 0.08 1.689535057e+04 1.563481620e+04 3.695509329e+04 1.449315011e+04 3.425543403e+04 8.109422973e+04 0.10 1.200616692e+04 1.111130310e+04 2.600630257e+04 1.030706705e+04 2.412324529e+04 5.656675950e+04 0.12 8.946105660e+03 8.278932482e+03 1.919803648e+04 7.684577021e+03 1.781946058e+04 4.140919570e+04 0.14 6.892282349e+03 6.377261659e+03 1.465701595e+04 5.922945359e+03 1.361281807e+04 3.136009138e+04 0.16 5.443572504e+03 5.035470309e+03 1.147378695e+04 4.679367607e+03 1.066252854e+04 2.435826043e+04 0.18 4.383069454e+03 4.052975934e+03 9.158251459e+03 3.768356585e+03 8.515370669e+03 1.929630897e+04 0.20 3.584159651e+03 3.312663341e+03 7.425140167e+03 3.081582049e+03 6.907479278e+03 1.553128285e+04 0.22 2.968440325e+03 2.741995631e+03 6.098236799e+03 2.551933132e+03 5.675827104e+03 1.266692694e+04 0.24 2.485024054e+03 2.293883572e+03 5.063428679e+03 2.135834370e+03 4.714821702e+03 1.044723980e+04 0.26 2.099593139e+03 1.936564999e+03 4.243940711e+03 1.803888004e+03 3.953405536e+03 8.700434076e+03 0.28 1.788259791e+03 1.647926668e+03 3.586470050e+03 1.535622774e+03 3.342233626e+03 7.307601710e+03 0.30 1.533949761e+03 1.412159310e+03 3.053029762e+03 1.316400024e+03 2.846130120e+03 6.184294213e+03 0.32 1.324182397e+03 1.217704130e+03 2.615945834e+03 1.135514126e+03 2.439461023e+03 5.269228740e+03 0.34 1.149658726e+03 1.055946661e+03 2.254676574e+03 9.849841788e+02 2.103192393e+03 4.517110667e+03 0.36 1.003335398e+03 9.203600714e+02 1.953727235e+03 8.587614599e+02 1.822961454e+03 3.893930130e+03 0.38 8.798007936e+02 8.059279703e+02 1.701245641e+03 7.521954320e+02 1.587777551e+03 3.373797253e+03 0.40 7.748446621e+02 7.087462591e+02 1.488054107e+03 6.616653837e+02 1.389126613e+03 2.936763432e+03 0.42 6.851550449e+02 6.257427146e+02 1.306968372e+03 5.843209804e+02 1.220341031e+03 2.567291277e+03 0.44 6.081008724e+02 5.544758290e+02 1.152309753e+03 5.178961297e+02 1.076148255e+03 2.253161185e+03 0.46 5.415734591e+02 4.929881269e+02 1.019550143e+03 4.605732401e+02 9.523422227e+02 1.984677838e+03 0.48 4.838692469e+02 4.396976387e+02 9.050500081e+02 4.108827740e+02 8.455408253e+02 1.754086457e+03 0.50 4.336019308e+02 3.933165526e+02 8.058625778e+02 3.676279428e+02 7.530045869e+02 1.555138091e+03 0.52 3.896358318e+02 3.527895215e+02 7.195858532e+02 3.298275829e+02 6.724995858e+02 1.382762328e+03 0.54 3.510348454e+02 3.172463801e+02 6.442496083e+02 2.966723645e+02 6.021927531e+02 1.232818436e+03 0.56 3.170229514e+02 2.859655587e+02 5.782283123e+02 2.674908970e+02 5.405711610e+02 1.101904405e+03 0.58 2.869533997e+02 2.583455271e+02 5.201734593e+02 2.417232651e+02 4.863792765e+02 9.872092088e+02 0.60 2.602844771e+02 2.338823280e+02 4.689605725e+02 2.189002022e+02 4.385698027e+02 8.863976303e+02 0.62 2.365603083e+02 2.121517728e+02 4.236474033e+02 1.986265794e+02 3.962648901e+02 7.975198194e+02 0.64 2.153955443e+02 1.927952366e+02 3.834407425e+02 1.805682275e+02 3.587253274e+02 7.189398141e+02 0.66 1.964630750e+02 1.755082546e+02 3.476699063e+02 1.644413538e+02 3.253259182e+02 6.492786906e+02 0.68 1.794841114e+02 1.600313140e+02 3.157654327e+02 1.500039937e+02 2.955356894e+02 5.873690839e+02 0.70 1.642201363e+02 1.461423785e+02 2.872418711e+02 1.370490673e+02 2.689018964e+02 5.322186039e+02 0.72 1.504663404e+02 1.336507887e+02 2.616838072e+02 1.253987124e+02 2.450370295e+02 4.829802513e+02 0.74 1.380462413e+02 1.223922613e+02 2.387344604e+02 1.148996362e+02 2.236082093e+02 4.389283744e+02 0.76 1.268072548e+02 1.122247713e+02 2.180863375e+02 1.054192864e+02 2.043284904e+02 3.994390344e+02 0.78 1.166170334e+02 1.030251453e+02 1.994735370e+02 9.684268225e+01 1.869496992e+02 3.639738988e+02 0.80 1.073604259e+02 9.468623331e+01 1.826653870e+02 8.906978302e+01 1.712565106e+02 3.320669686e+02 0.82 9.893694487e+01 8.711455111e+01 1.674611638e+02 8.201329302e+01 1.570615298e+02 3.033135956e+02 0.84 9.125864752e+01 8.022830708e+01 1.536856906e+02 7.559682443e+01 1.442011918e+02 2.773613570e+02 0.86 8.424835725e+01 7.395574584e+01 1.411856561e+02 6.975335429e+01 1.325323313e+02 2.539024427e+02 0.88 7.783816556e+01 6.823375249e+01 1.298265241e+02 6.442392392e+01 1.219293026e+02 2.326672808e+02 0.90 7.196816610e+01 6.300667286e+01 1.194899300e+02 5.955653930e+01 1.122815518e+02 2.134191803e+02 0.92 6.658538143e+01 5.822531309e+01 1.100714802e+02 5.510523826e+01 1.034915653e+02 1.959498114e+02 0.94 6.164285038e+01 5.384608873e+01 1.014788860e+02 5.102929695e+01 9.547312952e+01 1.800753807e+02 0.96 5.709884969e+01 4.983029878e+01 9.363037608e+01 4.729255264e+01 8.814984973e+01 1.656333824e+02 0.98 5.291622817e+01 4.614350474e+01 8.645450561e+01 4.386282424e+01 8.145388636e+01 1.524798309e+02 1.00 4.906183558e+01 4.275499776e+01 7.967954780e+01 4.071141507e+01 7.532487310e+01 1.404868946e+02 1.02 4.550614916e+01 3.963734037e+01 7.310344134e+01 3.781268500e+01 6.970898809e+01 1.295408680e+02 1.04 4.225849788e+01 3.676597114e+01 6.681105679e+01 3.514368142e+01 6.455815443e+01 1.195404282e+02 1.06 3.957063747e+01 3.411886289e+01 6.085850310e+01 3.268381998e+01 5.982934992e+01 1.103951308e+02 1.08 3.735722901e+01 3.167622638e+01 5.527854783e+01 3.041460788e+01 5.548400970e+01 1.020241100e+02 1.10 3.548262417e+01 2.942025285e+01 5.008648619e+01 2.831940340e+01 5.148750791e+01 9.435495186e+01 1.12 3.384357714e+01 2.733488976e+01 4.528473573e+01 2.638320632e+01 4.780870680e+01 8.732271475e+01 1.14 3.236283607e+01 2.540564498e+01 4.086641759e+01 2.459247507e+01 4.441956350e+01 8.086907580e+01 1.16 3.098374810e+01 2.361941554e+01 3.681813292e+01 2.293496661e+01 4.129478640e+01 7.494158595e+01 1.18 2.966584962e+01 2.196433741e+01 3.312210075e+01 2.139959611e+01 3.841153414e+01 6.949301762e+01 1.20 2.838127667e+01 2.042965349e+01 2.975779081e+01 1.997631354e+01 3.574915131e+01 6.448079267e+01 1.22 2.711185600e+01 1.900559741e+01 2.670315751e+01 1.865599509e+01 3.328893594e+01 5.986647955e+01 1.24 2.584675998e+01 1.768326353e+01 2.393556015e+01 1.743034733e+01 3.101393460e+01 5.561535045e+01 1.26 2.458062725e+01 1.642547355e+01 2.143243747e+01 1.629182242e+01 2.890876128e+01 5.169599046e+01 1.28 2.331206700e+01 1.517385101e+01 1.917179035e+01 1.523354312e+01 2.695943722e+01 4.807995220e+01 1.30 2.204247813e+01 1.394780921e+01 1.713251611e+01 1.424923617e+01 2.515324884e+01 4.474144977e+01 1.32 2.077512586e+01 1.276354236e+01 1.529462851e+01 1.333317307e+01 2.347862160e+01 4.165708745e+01 1.34 1.951442817e+01 1.163216305e+01 1.363939061e+01 1.248011736e+01 2.192500770e+01 3.880561858e+01 1.36 1.826541209e+01 1.056080792e+01 1.214938209e+01 1.168527764e+01 2.048278610e+01 3.616773091e+01 1.38 1.703330707e+01 9.553536335e+00 1.080851782e+01 1.094426549e+01 1.914317319e+01 3.372585547e+01 1.40 1.582324803e+01 8.612056966e+00 9.602030989e+00 1.025305794e+01 1.789814303e+01 3.146399590e+01 1.42 1.464006568e+01 7.736312747e+00 8.516431125e+00 9.607963711e+00 1.674035584e+01 2.936757592e+01 1.44 1.348814552e+01 6.924949133e+00 7.539445004e+00 9.005593022e+00 1.566316560e+01 2.742330293e+01 1.46 1.237134047e+01 6.175686582e+00 6.659946603e+00 8.442830387e+00 1.462966183e+01 2.561904570e+01 1.48 1.129292473e+01 5.485614525e+00 5.867880755e+00 7.916788829e+00 1.359929557e+01 2.394372477e+01 1.50 1.025557886e+01 4.851421204e+00 5.154184018e+00 7.428989616e+00 1.258915950e+01 2.238721397e+01 1.52 9.261397916e+00 4.269571298e+00 4.510705355e+00 6.983206338e+00 1.161194460e+01 2.094025188e+01 1.54 8.311916377e+00 3.736441259e+00 3.930128480e+00 6.574732242e+00 1.067620838e+01 1.959436219e+01 1.56 7.408144428e+00 3.248420547e+00 3.405897200e+00 6.198936992e+00 9.787363493e+00 1.834178194e+01 1.58 6.550611749e+00 2.801985548e+00 2.932144599e+00 5.851571998e+00 8.948453210e+00 1.717479210e+01 1.60 5.739415553e+00 2.393751767e+00 2.503626618e+00 5.528815861e+00 8.160757303e+00 1.615543814e+01 1.62 4.974270449e+00 2.020508910e+00 2.115660325e+00 5.227290676e+00 7.424263049e+00 1.531751851e+01 1.64 4.254558310e+00 1.679242594e+00 1.764066955e+00 4.944057384e+00 6.738029443e+00 1.456684366e+01 1.66 3.579376779e+00 1.367145784e+00 1.445119703e+00 4.676596538e+00 6.100467035e+00 1.384383243e+01 1.68 2.947585450e+00 1.081622420e+00 1.155496120e+00 4.422779436e+00 5.509551342e+00 1.311529115e+01 1.70 2.357849073e+00 8.202852711e-01 8.922349122e-01 4.180833428e+00 4.962984174e+00 1.236605226e+01 1.72 1.808677347e+00 5.809495876e-01 6.526968911e-01 3.949304247e+00 4.458314298e+00 1.159279031e+01 1.74 1.298461103e+00 3.616238642e-01 4.345298022e-01 3.727017501e+00 3.993026509e+00 1.079951542e+01 1.76 8.255047770e-01 1.604986886e-01 2.356367429e-01 3.513040856e+00 3.564606307e+00 9.994349634e+00 1.78 3.880552192e-01 -2.406553088e-02 5.414787814e-02 3.306647983e+00 3.170585846e+00 9.187275726e+00 1.80 -1.567305538e-02 -1.935513645e-01 -1.116048296e-01 3.107284995e+00 2.808575625e+00 8.388616155e+00 1.82 -3.874759990e-01 -3.492972395e-01 -2.631101522e-01 2.914539788e+00 2.476285417e+00 7.608053926e+00 1.84 -7.291413338e-01 -4.925100656e-01 -4.016976511e-01 2.728114527e+00 2.171537154e+00 6.854050001e+00 1.86 -1.042432791e+00 -6.242773724e-01 -5.285555004e-01 2.547801326e+00 1.892271876e+00 6.133545683e+00 1.88 -1.329077033e+00 -7.455788004e-01 -6.447463063e-01 2.373461085e+00 1.636552380e+00 5.451864772e+00 1.90 -1.590753013e+00 -8.572968425e-01 -7.512211333e-01 2.205005325e+00 1.402562791e+00 4.812750835e+00 1.92 -1.829083508e+00 -9.602267824e-01 -8.488319296e-01 2.042380858e+00 1.188606007e+00 4.218490938e+00 1.94 -2.045628594e+00 -1.055085808e+00 -9.383425271e-01 1.885557040e+00 9.930997146e-01 3.670089608e+00 1.96 -2.241880826e+00 -1.142521309e+00 -1.020438375e+00 1.734515380e+00 8.145715131e-01 3.167466540e+00 1.98 -2.419261905e+00 -1.223118371e+00 -1.095735149e+00 1.589241240e+00 6.516535046e-01 2.709659190e+00 2.00 -2.579120629e+00 -1.297406529e+00 -1.164786369e+00 1.449717391e+00 5.030766485e-01 2.295017378e+00 2.02 -2.722731937e+00 -1.365865787e+00 -1.228090132e+00 1.315919162e+00 3.676650592e-01 1.921381668e+00 2.04 -2.851296923e+00 -1.428932016e+00 -1.286095114e+00 1.187810974e+00 2.443303855e-01 1.586240877e+00 2.06 -2.965943778e+00 -1.487001808e+00 -1.339206102e+00 1.065344041e+00 1.320663549e-01 1.286866683e+00 2.08 -3.067729008e+00 -1.540436618e+00 -1.387788445e+00 9.484550332e-01 2.994353961e-02 1.020425244e+00 2.10 -3.157639213e+00 -1.589566411e+00 -1.432172020e+00 8.370655448e-01 -6.289562885e-02 7.840669823e-01 2.12 -3.236593393e+00 -1.634692939e+00 -1.472654918e+00 7.310821947e-01 -1.472415808e-01 5.749965121e-01 2.14 -3.305445589e+00 -1.676092618e+00 -1.509506715e+00 6.303972319e-01 -2.238220652e-01 3.905250793e-01 2.16 -3.364987731e+00 -1.714019046e+00 -1.542971377e+00 5.348895205e-01 -2.933063467e-01 2.281080501e-01 2.18 -3.415952662e+00 -1.748705223e+00 -1.573269856e+00 4.444258029e-01 -3.563091533e-01 8.536991502e-02 2.20 -3.459017253e+00 -1.780365483e+00 -1.600602393e+00 3.588621523e-01 -4.133943870e-01 -3.988087283e-02 2.22 -3.494805566e+00 -1.809197197e+00 -1.625150577e+00 2.780455404e-01 -4.650786116e-01 -1.496451507e-01 2.24 -3.523892026e+00 -1.835382270e+00 -1.647079207e+00 2.018154600e-01 -5.118343307e-01 -2.457325730e-01 2.26 -3.546804567e+00 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