# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2012--Schopf-D-Brommer-P-Frigan-B-Trebin-H-R--Al-Mn-Pd # implementation = EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 # 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 Mn Al Pd Mn Mn Mn Pd Pd Pd 0.02 -5.441864059e+03 -5.977372960e+03 nan -1.385548773e+03 nan nan 0.04 -5.271942200e+03 -5.771914814e+03 nan -1.338051362e+03 nan nan 0.06 -5.105587400e+03 -5.571208517e+03 nan -1.291644439e+03 nan nan 0.08 -4.942760232e+03 -5.375194836e+03 nan -1.246314882e+03 nan nan 0.10 -4.783423559e+03 -5.183820598e+03 nan -1.202051400e+03 nan nan 0.12 -4.627539815e+03 -4.997029078e+03 nan -1.158839491e+03 nan nan 0.14 -4.475070670e+03 -4.814765893e+03 nan -1.116667545e+03 nan nan 0.16 -4.325979224e+03 -4.636974014e+03 nan -1.075523336e+03 nan nan 0.18 -4.180226814e+03 -4.463599723e+03 nan -1.035393661e+03 nan nan 0.20 -4.037776673e+03 -4.294586412e+03 nan -9.962656777e+02 nan nan 0.22 -3.898590446e+03 -4.129879303e+03 nan -9.581273980e+02 nan nan 0.24 -3.762630107e+03 -3.969422669e+03 nan -9.209661467e+02 nan nan 0.26 -3.629858743e+03 -3.813161116e+03 nan -8.847689282e+02 nan nan 0.28 -3.500237813e+03 -3.661038750e+03 nan -8.495232594e+02 nan nan 0.30 -3.373728917e+03 -3.513002778e+03 nan -8.152168415e+02 nan nan 0.32 -3.250296150e+03 -3.368994315e+03 nan -7.818366202e+02 nan nan 0.34 -3.129901471e+03 -3.228957409e+03 nan -7.493702890e+02 nan nan 0.36 -3.012506441e+03 -3.092841220e+03 nan -7.178053941e+02 nan nan 0.38 -2.898074184e+03 -2.960584995e+03 nan -6.871288405e+02 nan nan 0.40 -2.786565280e+03 -2.832138794e+03 nan -6.573282776e+02 nan nan 0.42 -2.677942098e+03 -2.707443512e+03 nan -6.283911165e+02 nan nan 0.44 -2.572168725e+03 -2.586444346e+03 nan -6.003045899e+02 nan nan 0.46 -2.469205188e+03 -2.469084356e+03 nan -5.730564259e+02 nan nan 0.48 -2.369016983e+03 -2.355311922e+03 nan -5.466336918e+02 nan nan 0.50 -2.271561953e+03 -2.245068319e+03 nan -5.210240349e+02 nan nan 0.52 -2.176805532e+03 -2.138299489e+03 nan -4.962146023e+02 nan nan 0.54 -2.084709167e+03 -2.034951341e+03 nan -4.721928280e+02 nan nan 0.56 -1.995234956e+03 -1.934965536e+03 nan -4.489462951e+02 nan nan 0.58 -1.908345403e+03 -1.838288024e+03 nan -4.264621055e+02 nan nan 0.60 -1.824002808e+03 -1.744864355e+03 nan -4.047280344e+02 nan nan 0.62 -1.742169245e+03 -1.654636634e+03 nan -3.837311584e+02 nan nan 0.64 -1.662806776e+03 -1.567551811e+03 nan -3.634589112e+02 nan nan 0.66 -1.585877957e+03 -1.483554229e+03 nan -3.438987540e+02 nan nan 0.68 -1.511343588e+03 -1.402587307e+03 -1.221994625e+03 -3.250380246e+02 -7.007029973e+02 -2.395324857e+03 0.70 -1.439169241e+03 -1.324596179e+03 -1.165496223e+03 -3.068642594e+02 -6.756435032e+02 -2.303143179e+03 0.72 -1.369313680e+03 -1.249525497e+03 -1.110761481e+03 -2.893646859e+02 -6.509863040e+02 -2.213272165e+03 0.74 -1.301741055e+03 -1.177319808e+03 -1.057762303e+03 -2.725267087e+02 -6.267446277e+02 -2.125687755e+03 0.76 -1.236413133e+03 -1.107923575e+03 -1.006470537e+03 -2.563378309e+02 -6.029309547e+02 -2.040361487e+03 0.78 -1.173292128e+03 -1.041281348e+03 -9.568583132e+02 -2.407853656e+02 -5.795567717e+02 -1.957267439e+03 0.80 -1.112340464e+03 -9.773378427e+02 -9.088974602e+02 -2.258567254e+02 -5.566328243e+02 -1.876379859e+03 0.82 -1.053520172e+03 -9.160376206e+02 -8.625598206e+02 -2.115391694e+02 -5.341688315e+02 -1.797671747e+03 0.84 -9.967937650e+02 -8.573251789e+02 -8.178174527e+02 -1.978204022e+02 -5.121738582e+02 -1.721116807e+03 0.86 -9.421231957e+02 -8.011451051e+02 -7.746422542e+02 -1.846875180e+02 -4.906558797e+02 -1.646688999e+03 0.88 -8.894708971e+02 -7.474420764e+02 -7.330062385e+02 -1.721279891e+02 -4.696225127e+02 -1.574361571e+03 0.90 -8.387991074e+02 -6.961605456e+02 -6.928810856e+02 -1.601292286e+02 -4.490800874e+02 -1.504106320e+03 0.92 -7.900700632e+02 -6.472451754e+02 -6.542390472e+02 -1.486787147e+02 -4.290343887e+02 -1.435898754e+03 0.94 -7.432459339e+02 -6.006404832e+02 -6.170518387e+02 -1.377636963e+02 -4.094903968e+02 -1.369710457e+03 0.96 -6.982890680e+02 -5.562910868e+02 -5.812915466e+02 -1.273715550e+02 -3.904522557e+02 -1.305515538e+03 0.98 -6.551616902e+02 -5.141415054e+02 -5.469300873e+02 -1.174898920e+02 -3.719234328e+02 -1.243286225e+03 1.00 -6.138260091e+02 -4.741363580e+02 -5.139395081e+02 -1.081059051e+02 -3.539064724e+02 -1.182996197e+03 1.02 -5.742442840e+02 -4.362201653e+02 -4.822916778e+02 -9.920700456e+01 -3.364035351e+02 -1.124619209e+03 1.04 -5.363788423e+02 -4.003375788e+02 -4.519586118e+02 -9.078063770e+01 -3.194156728e+02 -1.068126739e+03 1.06 -5.001918148e+02 -3.664331449e+02 -4.229123206e+02 -8.281417892e+01 -3.029435871e+02 -1.013492933e+03 1.08 -4.656455805e+02 -3.344515059e+02 -3.951247335e+02 -7.529501825e+01 -2.869869376e+02 -9.606897599e+02 1.10 -4.327022561e+02 -3.043370318e+02 -3.685680031e+02 -6.821054340e+01 -2.715448657e+02 -9.096900003e+02 1.12 -4.013241519e+02 -2.760345539e+02 -3.432140791e+02 -6.154815223e+01 -2.566160940e+02 -8.604669253e+02 1.14 -3.714735239e+02 -2.494884254e+02 -3.190350005e+02 -5.529522911e+01 -2.421981864e+02 -8.129928150e+02 1.16 -3.431126075e+02 -2.246433734e+02 -2.960028184e+02 -4.943916715e+01 -2.282884801e+02 -7.672402609e+02 1.18 -3.162036663e+02 -2.014439929e+02 -2.740896609e+02 -4.396735973e+01 -2.148835284e+02 -7.231817900e+02 1.20 -2.907089468e+02 -1.798347231e+02 -2.532675610e+02 -3.886720186e+01 -2.019793209e+02 -6.807897701e+02 1.22 -2.665907186e+02 -1.597602045e+02 -2.335086953e+02 -3.412607899e+01 -1.895712007e+02 -6.400365721e+02 1.24 -2.438111307e+02 -1.411649882e+02 -2.147852625e+02 -2.973139252e+01 -1.776540512e+02 -6.008943908e+02 1.26 -2.223325746e+02 -1.239937503e+02 -1.970694279e+02 -2.567051334e+01 -1.662220645e+02 -5.633354919e+02 1.28 -2.021172212e+02 -1.081909948e+02 -1.803335079e+02 -2.193086207e+01 -1.552689869e+02 -5.273318705e+02 1.30 -1.831272978e+02 -9.370121609e+01 -1.645498208e+02 -1.849980110e+01 -1.447878969e+02 -4.928556047e+02 1.32 -1.653251459e+02 -8.046916742e+01 -1.496906635e+02 -1.536474512e+01 -1.347716287e+02 -4.598785982e+02 1.34 -1.493428226e+02 -7.041284883e+01 -1.359239747e+02 -1.424142629e+01 -1.273300664e+02 -4.283726336e+02 1.36 -1.359921241e+02 -6.051952248e+01 -1.238398023e+02 -1.370221509e+01 -1.198414551e+02 -3.983094936e+02 1.38 -1.222799554e+02 -5.142514608e+01 -1.122547849e+02 -1.310582478e+01 -1.123478475e+02 -3.696607108e+02 1.40 -1.093282025e+02 -4.321428118e+01 -1.013368134e+02 -1.247346820e+01 -1.050170557e+02 -3.423977027e+02 1.42 -9.724362818e+01 -3.587992576e+01 -9.110701494e+01 -1.182960522e+01 -9.791733307e+01 -3.164919116e+02 1.44 -8.603708882e+01 -2.939088361e+01 -8.156224136e+01 -1.119438893e+01 -9.108326094e+01 -2.919142770e+02 1.46 -7.569509753e+01 -2.370638123e+01 -7.269045380e+01 -1.058314972e+01 -8.453358982e+01 -2.686357108e+02 1.48 -6.619469799e+01 -1.878101580e+01 -6.447543846e+01 -1.000690133e+01 -7.827800676e+01 -2.466265590e+02 1.50 -5.750755510e+01 -1.456678693e+01 -5.689864657e+01 -9.472989064e+00 -7.232070069e+01 -2.258568708e+02 1.52 -4.960245781e+01 -1.101412575e+01 -4.994008502e+01 -8.985734172e+00 -6.666207826e+01 -2.062959524e+02 1.54 -4.244639911e+01 -8.072441647e+00 -4.357758477e+01 -8.546981794e+00 -6.129998834e+01 -1.879118606e+02 1.56 -3.600524079e+01 -5.690447099e+00 -3.779027752e+01 -8.156590878e+00 -5.623039421e+01 -1.706722897e+02 1.58 -3.024407891e+01 -3.816367210e+00 -3.255628530e+01 -7.812867625e+00 -5.144792839e+01 -1.545436899e+02 1.60 -2.512751207e+01 -2.398084928e+00 -2.785058259e+01 -7.512923347e+00 -4.694630721e+01 -1.394899422e+02 1.62 -2.061977682e+01 -1.383240733e+00 -2.364723027e+01 -7.253009525e+00 -4.271859885e+01 -1.254733765e+02 1.64 -1.668487718e+01 -7.193135761e-01 -1.992047369e+01 -7.028793913e+00 -3.875741937e+01 -1.124552850e+02 1.66 -1.328667087e+01 -3.536778731e-01 -1.664382667e+01 -6.835610554e+00 -3.505513549e+01 -1.003958134e+02 1.68 -1.038891750e+01 -2.336578167e-01 -1.378993841e+01 -6.668657383e+00 -3.160400726e+01 -8.925386245e+01 1.70 -7.955353417e+00 -3.065649259e-01 -1.133093367e+01 -6.523185623e+00 -2.839630326e+01 -7.898805867e+01 1.72 -5.949714972e+00 -5.197438347e-01 -9.238873414e+00 -6.394635417e+00 -2.542439890e+01 -6.955670523e+01 1.74 -4.335780930e+00 -8.205970968e-01 -7.486092128e+00 -6.278754413e+00 -2.268086016e+01 -6.091827240e+01 1.76 -3.077398179e+00 -1.156624995e+00 -6.045374168e+00 -6.171665573e+00 -2.015851708e+01 -5.303177470e+01 1.78 -2.138469574e+00 -1.476392275e+00 -4.889680455e+00 -6.069771544e+00 -1.785046977e+01 -4.585652273e+01 1.80 -1.481976912e+00 -1.758958633e+00 -3.991538240e+00 -5.965430567e+00 -1.574836199e+01 -3.935633653e+01 1.82 -1.070012715e+00 -2.010660499e+00 -3.323012700e+00 -5.855415394e+00 -1.384233185e+01 -3.349890216e+01 1.84 -8.647898312e-01 -2.233955568e+00 -2.856172306e+00 -5.740763545e+00 -1.212275060e+01 -2.825145968e+01 1.86 -8.284963118e-01 -2.431724220e+00 -2.563110269e+00 -5.621878020e+00 -1.057994662e+01 -2.358142612e+01 1.88 -9.233301177e-01 -2.606409427e+00 -2.415973230e+00 -5.499212933e+00 -9.204282796e+00 -1.945625147e+01 1.90 -1.111489079e+00 -2.760205526e+00 -2.386913752e+00 -5.373202751e+00 -7.986130955e+00 -1.584343608e+01 1.92 -1.355172632e+00 -2.895070751e+00 -2.448104066e+00 -5.244255047e+00 -6.915879059e+00 -1.271049988e+01 1.94 -1.616580689e+00 -3.012755125e+00 -2.571736152e+00 -5.112756297e+00 -5.983927175e+00 -1.002500885e+01 1.96 -1.860716713e+00 -3.114825713e+00 -2.730006505e+00 -4.979078258e+00 -5.180683125e+00 -7.754548670e+00 1.98 -2.080988207e+00 -3.202684771e+00 -2.895123418e+00 -4.843564073e+00 -4.496568277e+00 -5.866726717e+00 2.00 -2.280494295e+00 -3.277594800e+00 -3.043495603e+00 -4.706543908e+00 -3.922011173e+00 -4.329160158e+00 2.02 -2.461053076e+00 -3.340685690e+00 -3.174199222e+00 -4.568332482e+00 -3.447445576e+00 -3.109488944e+00 2.04 -2.624361304e+00 -3.392974823e+00 -3.289039196e+00 -4.429223778e+00 -3.063315577e+00 -2.175363043e+00 2.06 -2.771964999e+00 -3.435382030e+00 -3.389554102e+00 -4.289499365e+00 -2.760071964e+00 -1.494440553e+00 2.08 -2.905244801e+00 -3.468730854e+00 -3.477041601e+00 -4.149423346e+00 -2.528166719e+00 -1.034388988e+00 2.10 -3.025448539e+00 -3.493768455e+00 -3.552686281e+00 -4.009248369e+00 -2.358059664e+00 -7.628827073e-01 2.12 -3.133701511e+00 -3.511168863e+00 -3.617540180e+00 -3.869213607e+00 -2.240215992e+00 -6.476044073e-01 2.14 -3.231018148e+00 -3.521541761e+00 -3.672541595e+00 -3.729541718e+00 -2.165100288e+00 -6.562408810e-01 2.16 -3.318315739e+00 -3.525438338e+00 -3.718533304e+00 -3.590445491e+00 -2.123180894e+00 -7.564781431e-01 2.18 -3.396422289e+00 -3.523360332e+00 -3.756272160e+00 -3.452127350e+00 -2.104932326e+00 -9.160123063e-01 2.20 -3.466088035e+00 -3.515761171e+00 -3.786439144e+00 -3.314774020e+00 -2.100827302e+00 -1.102541553e+00 2.22 -3.527993178e+00 -3.503050985e+00 -3.809647801e+00 -3.178567635e+00 -2.101339656e+00 -1.283839774e+00 2.24 -3.582757249e+00 -3.485605029e+00 -3.826456279e+00 -3.043674913e+00 -2.097688664e+00 -1.440387805e+00 2.26 -3.630944530e+00 -3.463762953e+00 -3.837371131e+00 -2.910252409e+00 -2.088071964e+00 -1.575449410e+00 2.28 -3.673070633e+00 -3.437835023e+00 -3.842858545e+00 -2.778450154e+00 -2.072948393e+00 -1.690916369e+00 2.30 -3.709605785e+00 -3.408099327e+00 -3.843348543e+00 -2.648407469e+00 -2.052603721e+00 -1.788835402e+00 2.32 -3.740983029e+00 -3.374812608e+00 -3.839229840e+00 -2.520256229e+00 -2.027311186e+00 -1.870955170e+00 2.34 -3.767598700e+00 -3.338199044e+00 -3.830871409e+00 -2.394117623e+00 -1.997344609e+00 -1.938846450e+00 2.36 -3.789816379e+00 -3.298473358e+00 -3.818631975e+00 -2.270104669e+00 -1.962969431e+00 -1.993912905e+00 2.38 -3.807973585e+00 -3.255831188e+00 -3.802835030e+00 -2.148324427e+00 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