# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Mendelev-M-I-Zhang-F-Ye-Z-et-al--Al-Sm # implementation = 2015--Mendelev-M-I--Al-Sm--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 Sm Sm Sm 0.02 4.367544468e+13 4.367544468e+13 4.367544468e+13 0.04 1.867544468e+13 1.867544468e+13 1.867544468e+13 0.06 1.034211135e+13 1.034211135e+13 1.034211135e+13 0.08 6.175444683e+12 6.175444683e+12 6.175444683e+12 0.10 1.251727540e+04 4.891149623e+04 2.018382717e+05 0.12 9.375549672e+03 3.562568542e+04 1.440231155e+05 0.14 7.257787537e+03 2.684946298e+04 1.064298163e+05 0.16 5.757762162e+03 2.075699746e+04 8.074919121e+04 0.18 4.655192326e+03 1.636897532e+04 6.255261722e+04 0.20 3.821190200e+03 1.311761731e+04 4.928821026e+04 0.22 3.175785560e+03 1.065348632e+04 3.939613147e+04 0.24 2.666982820e+03 8.751172683e+03 3.187825548e+04 0.26 2.259658884e+03 7.259684857e+03 2.607225346e+04 0.28 1.929323762e+03 6.074723980e+03 2.152547841e+04 0.30 1.658440306e+03 5.122390034e+03 1.792094496e+04 0.32 1.434162847e+03 4.349193557e+03 1.503205140e+04 0.34 1.246898047e+03 3.715709980e+03 1.269391360e+04 0.36 1.089360643e+03 3.192423457e+03 1.078468310e+04 0.38 9.559371263e+02 2.756932681e+03 9.213068592e+03 0.40 8.422467034e+02 2.392029498e+03 7.909822798e+03 0.42 7.448319908e+02 2.084351572e+03 6.821826813e+03 0.44 6.609370173e+02 1.823421236e+03 5.907912308e+03 0.46 5.883452348e+02 1.600949414e+03 5.135868370e+03 0.48 5.252595495e+02 1.410324698e+03 4.480269172e+03 0.50 4.702122870e+02 1.246233800e+03 3.920878801e+03 0.52 4.219968071e+02 1.104376530e+03 3.441467290e+03 0.54 3.796150003e+02 9.812496453e+02 3.028923108e+03 0.56 3.422365800e+02 8.739814512e+02 2.672581758e+03 0.58 3.091672393e+02 7.802041834e+02 2.363713454e+03 0.60 2.798235379e+02 6.979547878e+02 2.095129033e+03 0.62 2.537129497e+02 6.255972236e+02 1.860874478e+03 0.64 2.304179013e+02 5.617612148e+02 1.655992402e+03 0.66 2.095829220e+02 5.052936634e+02 1.476334534e+03 0.68 1.909042385e+02 4.552198758e+02 1.318413311e+03 0.70 1.741213029e+02 4.107124454e+02 1.179283686e+03 0.72 1.590098592e+02 3.710661388e+02 1.056448421e+03 0.74 1.453762423e+02 3.356775315e+02 9.477817670e+02 0.76 1.330526494e+02 3.040284151e+02 8.514676015e+02 0.78 1.218932031e+02 2.756722105e+02 7.659490339e+02 0.80 1.117707027e+02 2.502227910e+02 6.898871303e+02 0.82 1.025739161e+02 2.273452478e+02 6.221269464e+02 0.84 9.420530855e+01 2.067482283e+02 5.616694423e+02 0.86 8.657912991e+01 1.881775526e+02 5.076481565e+02 0.88 7.961979985e+01 1.714108740e+02 4.593097495e+02 0.90 7.326053969e+01 1.562531976e+02 4.159977093e+02 0.92 6.744222216e+01 1.425331070e+02 3.771386522e+02 0.94 6.211240312e+01 1.300995717e+02 3.422307617e+02 0.96 5.722447162e+01 1.188192339e+02 3.108339998e+02 0.98 5.273691506e+01 1.085740988e+02 2.825617899e+02 1.00 4.861268736e+01 9.925956055e+01 2.570739282e+02 1.02 4.481479891e+01 9.081369081e+01 2.341160268e+02 1.04 4.131125562e+01 8.317456476e+01 2.134535074e+02 1.06 3.807735452e+01 7.625522163e+01 1.948324649e+02 1.08 3.509064525e+01 6.997901758e+01 1.780294870e+02 1.10 3.233070940e+01 6.427830092e+01 1.628477305e+02 1.12 2.977895995e+01 5.909326925e+01 1.491135336e+02 1.14 2.741846130e+01 5.437098196e+01 1.366734867e+02 1.16 2.523377126e+01 5.006450518e+01 1.253918962e+02 1.18 2.321079950e+01 4.613217091e+01 1.151485861e+02 1.20 2.133668035e+01 4.253693467e+01 1.058369902e+02 1.22 1.959965829e+01 3.924581735e+01 9.736249308e+01 1.24 1.798898491e+01 3.622941939e+01 8.964098699e+01 1.26 1.649482610e+01 3.346149737e+01 8.259761442e+01 1.28 1.510817826e+01 3.091859447e+01 7.616567086e+01 1.30 1.382079282e+01 2.857971754e+01 7.028564653e+01 1.32 1.262510803e+01 2.642605444e+01 6.490438830e+01 1.34 1.151418733e+01 2.444072634e+01 5.997436586e+01 1.36 1.048166366e+01 2.260857043e+01 5.545302843e+01 1.38 9.521689043e+00 2.091594891e+01 5.130224015e+01 1.40 8.628888971e+00 1.935058101e+01 4.748778396e+01 1.42 7.798321048e+00 1.790139499e+01 4.397892518e+01 1.44 7.025437523e+00 1.655839765e+01 4.074802711e+01 1.46 6.306051288e+00 1.531255903e+01 3.777021214e+01 1.48 5.636305024e+00 1.415571049e+01 3.502306257e+01 1.50 5.012643161e+00 1.308045455e+01 3.248635630e+01 1.52 4.431786410e+00 1.208008488e+01 3.014183296e+01 1.54 3.890708580e+00 1.114851538e+01 2.797298683e+01 1.56 3.386615502e+00 1.028021715e+01 2.596488322e+01 1.58 2.916925817e+00 9.470162415e+00 2.410399558e+01 1.60 2.479253482e+00 8.713774652e+00 2.237806071e+01 1.62 2.071391817e+00 8.006884072e+00 2.077595006e+01 1.64 1.691298952e+00 7.345687927e+00 1.928755513e+01 1.66 1.337084536e+00 6.726715045e+00 1.790368536e+01 1.68 1.006997607e+00 6.146794104e+00 1.661597705e+01 1.70 6.994154956e-01 5.603025239e+00 1.541681199e+01 1.72 4.128336882e-01 5.092754584e+00 1.429924485e+01 1.74 1.458565405e-01 4.613551441e+00 1.325693805e+01 1.76 -1.028112169e-01 4.163187763e+00 1.228410363e+01 1.78 -3.343722637e-01 3.739619719e+00 1.137545097e+01 1.80 -5.499438250e-01 3.340971090e+00 1.052614002e+01 1.82 -7.505642152e-01 2.965518316e+00 9.731739233e+00 1.84 -9.371988438e-01 2.611677009e+00 8.988187766e+00 1.86 -1.110745729e+00 2.277989771e+00 8.291761485e+00 1.88 -1.272040563e+00 1.963115190e+00 7.639042348e+00 1.90 -1.421861371e+00 1.665817874e+00 7.026890820e+00 1.92 -1.560932788e+00 1.384959434e+00 6.452420977e+00 1.94 -1.689930010e+00 1.119490301e+00 5.912978048e+00 1.96 -1.809482411e+00 8.684423009e-01 5.406118104e+00 1.98 -1.920176896e+00 6.309219018e-01 4.929589708e+00 2.00 -2.022560978e+00 4.061040776e-01 4.481317290e+00 2.02 -2.117145621e+00 1.932267123e-01 4.059386100e+00 2.04 -2.204407863e+00 -8.414500315e-03 3.662028558e+00 2.06 -2.284793238e+00 -1.994707138e-01 3.287611871e+00 2.08 -2.358718013e+00 -3.805441862e-01 2.934626792e+00 2.10 -2.426571254e+00 -5.521921777e-01 2.601677394e+00 2.12 -2.488716743e+00 -7.149305201e-01 2.287471781e+00 2.14 -2.545494742e+00 -8.692368947e-01 1.990813623e+00 2.16 -2.597223636e+00 -1.015553842e+00 1.710594447e+00 2.18 -2.644201451e+00 -1.154291531e+00 1.445786608e+00 2.20 -2.686707255e+00 -1.285830310e+00 1.195436880e+00 2.22 -2.725002473e+00 -1.410523060e+00 9.586605910e-01 2.24 -2.759332088e+00 -1.528697364e+00 7.346362788e-01 2.26 -2.789925773e+00 -1.640657517e+00 5.226007891e-01 2.28 -2.816998932e+00 -1.746686386e+00 3.218447965e-01 2.30 -2.840753673e+00 -1.847047128e+00 1.317086983e-01 2.32 -2.861379710e+00 -1.941984792e+00 -4.842115000e-02 2.34 -2.879055208e+00 -2.031727797e+00 -2.191158887e-01 2.36 -2.893947561e+00 -2.116489314e+00 -3.809073259e-01 2.38 -2.906214127e+00 -2.196468540e+00 -5.342908526e-01 2.40 -2.916002911e+00 -2.271851898e+00 -6.797281244e-01 2.42 -2.922957387e+00 -2.342814136e+00 -8.176495302e-01 2.44 -2.926938224e+00 -2.409519363e+00 -9.484564664e-01 2.46 -2.928325418e+00 -2.472122007e+00 -1.072523434e+00 2.48 -2.927405554e+00 -2.530767707e+00 -1.190199976e+00 2.50 -2.924396101e+00 -2.585594140e+00 -1.301812462e+00 2.52 -2.919465133e+00 -2.636731793e+00 -1.407665742e+00 2.54 -2.912747021e+00 -2.684304671e+00 -1.508044679e+00 2.56 -2.904354584e+00 -2.728430965e+00 -1.603215561e+00 2.58 -2.894388193e+00 -2.769223651e+00 -1.693427414e+00 2.60 -2.882942270e+00 -2.806791060e+00 -1.778913221e+00 2.62 -2.870109568e+00 -2.841237386e+00 -1.859891052e+00 2.64 -2.855983571e+00 -2.872663162e+00 -1.936565113e+00 2.66 -2.840659435e+00 -2.901165683e+00 -2.009126723e+00 2.68 -2.824233891e+00 -2.926839399e+00 -2.077755222e+00 2.70 -2.806804354e+00 -2.949776261e+00 -2.142618821e+00 2.72 -2.788467470e+00 -2.969175583e+00 -2.203875384e+00 2.74 -2.769317247e+00 -2.984627191e+00 -2.261673170e+00 2.76 -2.749443082e+00 -2.996707214e+00 -2.316151515e+00 2.78 -2.728927970e+00 -3.005876654e+00 -2.367441476e+00 2.80 -2.707846953e+00 -3.012501654e+00 -2.415666428e+00 2.82 -2.686265923e+00 -3.016871162e+00 -2.460942624e+00 2.84 -2.664240762e+00 -3.019212230e+00 -2.503379717e+00 2.86 -2.641816983e+00 -3.019703114e+00 -2.543081253e+00 2.88 -2.619030024e+00 -3.018484400e+00 -2.580145122e+00 2.90 -2.595906103e+00 -3.015668324e+00 -2.614663994e+00 2.92 -2.572463594e+00 -3.011346477e+00 -2.646725712e+00 2.94 -2.548714877e+00 -3.005596056e+00 -2.676413670e+00 2.96 -2.524668574e+00 -2.998484826e+00 -2.703807161e+00 2.98 -2.500332054e+00 -2.990074950e+00 -2.728981705e+00 3.00 -2.475714077e+00 -2.980425821e+00 -2.752009354e+00 3.02 -2.450827375e+00 -2.969596052e+00 -2.772958972e+00 3.04 -2.425690882e+00 -2.957644731e+00 -2.791896505e+00 3.06 -2.400331478e+00 -2.944632081e+00 -2.808885225e+00 3.08 -2.374785093e+00 -2.930619624e+00 -2.823985956e+00 3.10 -2.349096801e+00 -2.915669954e+00 -2.837257289e+00 3.12 -2.323319565e+00 -2.899846228e+00 -2.848755776e+00 3.14 -2.297511281e+00 -2.883211441e+00 -2.858536110e+00 3.16 -2.271729755e+00 -2.865827583e+00 -2.866651292e+00 3.18 -2.246025165e+00 -2.847754741e+00 -2.873152781e+00 3.20 -2.220429620e+00 -2.829050207e+00 -2.878090634e+00 3.22 -2.194945819e+00 -2.809767648e+00 -2.881513630e+00 3.24 -2.169559316e+00 -2.789956389e+00 -2.883469385e+00 3.26 -2.144259019e+00 -2.769660837e+00 -2.884004454e+00 3.28 -2.119038499e+00 -2.748920089e+00 -2.883164420e+00 3.30 -2.093895248e+00 -2.727767728e+00 -2.880993977e+00 3.32 -2.068829881e+00 -2.706231836e+00 -2.877714249e+00 3.34 -2.043845505e+00 -2.684335222e+00 -2.873546014e+00 3.36 -2.018947262e+00 -2.662095857e+00 -2.868529911e+00 3.38 -1.994141650e+00 -2.639527519e+00 -2.862702914e+00 3.40 -1.969436190e+00 -2.616640612e+00 -2.856098596e+00 3.42 -1.944839091e+00 -2.593443137e+00 -2.848747395e+00 3.44 -1.920358672e+00 -2.569941780e+00 -2.840676875e+00 3.46 -1.896003431e+00 -2.546143060e+00 -2.831911983e+00 3.48 -1.871781387e+00 -2.522054520e+00 -2.822475304e+00 3.50 -1.847700272e+00 -2.497685864e+00 -2.812387305e+00 3.52 -1.823767074e+00 -2.473049964e+00 -2.801666578e+00 3.54 -1.799988114e+00 -2.448163681e+00 -2.790330062e+00 3.56 -1.776368846e+00 -2.423048440e+00 -2.778393270e+00 3.58 -1.752913850e+00 -2.397730419e+00 -2.765870493e+00 3.60 -1.729626764e+00 -2.372240212e+00 -2.752774998e+00 3.62 -1.706510352e+00 -2.346611984e+00 -2.739119218e+00 3.64 -1.683566311e+00 -2.320881920e+00 -2.724914914e+00 3.66 -1.660795735e+00 -2.295085744e+00 -2.710173345e+00 3.68 -1.638198396e+00 -2.269255380e+00 -2.694905404e+00 3.70 -1.615773964e+00 -2.243414513e+00 -2.679121754e+00 3.72 -1.593520554e+00 -2.217573708e+00 -2.662832938e+00 3.74 -1.571436453e+00 -2.191735499e+00 -2.646049477e+00 3.76 -1.549518845e+00 -2.165902797e+00 -2.628781968e+00 3.78 -1.527764466e+00 -2.140079580e+00 -2.611041147e+00 3.80 -1.506170387e+00 -2.114270920e+00 -2.592837952e+00 3.82 -1.484732164e+00 -2.088482621e+00 -2.574183551e+00 3.84 -1.463446270e+00 -2.062721363e+00 -2.555089377e+00 3.86 -1.442308896e+00 -2.036994352e+00 -2.535567151e+00 3.88 -1.421315259e+00 -2.011309391e+00 -2.515628886e+00 3.90 -1.400462170e+00 -1.985674676e+00 -2.495286840e+00 3.92 -1.379745870e+00 -1.960098719e+00 -2.474553524e+00 3.94 -1.359161944e+00 -1.934590313e+00 -2.453441683e+00 3.96 -1.338708014e+00 -1.909158334e+00 -2.431964203e+00 3.98 -1.318381683e+00 -1.883811802e+00 -2.410134069e+00 4.00 -1.298179043e+00 -1.858559665e+00 -2.387964355e+00 4.02 -1.278098725e+00 -1.833410833e+00 -2.365468081e+00 4.04 -1.258140792e+00 -1.808374096e+00 -2.342658148e+00 4.06 -1.238302492e+00 -1.783457928e+00 -2.319547338e+00 4.08 -1.218582925e+00 -1.758670795e+00 -2.296148103e+00 4.10 -1.198983706e+00 -1.734020454e+00 -2.272472557e+00 4.12 -1.179506918e+00 -1.709514863e+00 -2.248532436e+00 4.14 -1.160150455e+00 -1.685160950e+00 -2.224338836e+00 4.16 -1.140916069e+00 -1.660965796e+00 -2.199902377e+00 4.18 -1.121807906e+00 -1.636935667e+00 -2.175232904e+00 4.20 -1.102831171e+00 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