# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2012--Schopf-D-Brommer-P-Frigan-B-Trebin-H-R--Al-Mn-Pd # implementation = EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 # 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 1.359670803e+08 6.396779199e+07 2.606514304e+09 3.653758463e+14 -1.136248808e+05 3.377828199e+10 0.04 1.359670803e+08 6.396779199e+07 2.606514304e+09 3.653758463e+14 -1.136248808e+05 3.377828199e+10 0.06 1.359670803e+08 6.396779199e+07 2.606514304e+09 3.653758463e+14 -1.136248808e+05 3.377828199e+10 0.08 1.359670803e+08 6.396779199e+07 2.606514304e+09 3.653758463e+14 -1.136248808e+05 3.377828199e+10 0.10 1.359670803e+08 6.396779199e+07 2.606514304e+09 3.653758463e+14 -1.136248808e+05 3.377828199e+10 0.12 1.359670803e+08 6.396779199e+07 2.606514304e+09 3.653758463e+14 -1.136248808e+05 3.377828199e+10 0.14 1.359670803e+08 6.396779199e+07 2.606514304e+09 3.653758463e+14 -1.136248808e+05 3.377828199e+10 0.16 1.359670803e+08 6.396779199e+07 2.606514304e+09 3.653758463e+14 -1.136248808e+05 3.377828199e+10 0.18 1.359670803e+08 6.396779199e+07 2.606514304e+09 3.653758463e+14 -1.136248808e+05 3.377828199e+10 0.20 1.359670803e+08 6.396779199e+07 2.606514304e+09 3.653758463e+14 -1.136248808e+05 3.377828199e+10 0.22 6.569570342e+07 3.128365699e+07 1.092782315e+09 5.699083740e+13 -7.310298494e+04 1.363475665e+10 0.24 3.364674327e+07 1.620345946e+07 4.903027164e+08 9.864531799e+12 -4.866897153e+04 5.904210760e+09 0.26 1.817627517e+07 8.844374503e+06 2.344807727e+08 1.963752542e+12 -3.338401223e+04 2.732807842e+09 0.28 1.027694771e+07 5.048852114e+06 1.184268164e+08 4.400802824e+11 -2.349014141e+04 1.339063076e+09 0.30 6.051386609e+06 2.999454702e+06 6.281865145e+07 1.106772342e+11 -1.689360246e+04 6.906913988e+08 0.32 3.686009355e+06 1.842295046e+06 3.469797861e+07 3.038101833e+10 -1.237442140e+04 3.716303039e+08 0.34 2.314361596e+06 1.165807311e+06 1.987577640e+07 9.036924069e+09 -9.211238445e+03 2.077069387e+08 0.36 1.492036529e+06 7.571431834e+05 1.175037544e+07 2.875658892e+09 -6.952333581e+03 1.199768866e+08 0.38 9.850807374e+05 5.033845671e+05 7.147863960e+06 9.744774047e+08 -5.311818309e+03 7.139955776e+07 0.40 6.643875553e+05 3.417626749e+05 4.460526243e+06 3.491565534e+08 -4.101989699e+03 4.363885193e+07 0.42 4.567541566e+05 2.364413160e+05 2.847955705e+06 1.314048471e+08 -3.197451109e+03 2.731674524e+07 0.44 3.195856760e+05 1.664322407e+05 1.857195128e+06 5.185255355e+07 -2.513123423e+03 1.748163114e+07 0.46 2.271578141e+05 1.189763135e+05 1.234079227e+06 2.129310831e+07 -1.989449250e+03 1.140930262e+07 0.48 1.638367777e+05 8.628008975e+04 8.345161503e+05 9.090197668e+06 -1.584887347e+03 7.583904003e+06 0.50 1.197521457e+05 6.339362563e+04 5.733956602e+05 4.017594234e+06 -1.269499903e+03 5.125929588e+06 0.52 8.861163848e+04 4.714322058e+04 3.998171369e+05 1.833451671e+06 -1.021644730e+03 3.518329248e+06 0.54 6.631934394e+04 3.545219151e+04 2.826107881e+05 8.621139761e+05 -8.254434687e+02 2.449627749e+06 0.56 5.015823227e+04 2.693602565e+04 2.022832207e+05 4.164587766e+05 -6.690813046e+02 1.728084765e+06 0.58 3.830969390e+04 2.066355418e+04 1.465016495e+05 2.064710925e+05 -5.437416274e+02 1.234213849e+06 0.60 2.952761527e+04 1.599375763e+04 1.072647090e+05 1.048191301e+05 -4.427139448e+02 8.916199206e+05 0.62 2.295336148e+04 1.248295490e+04 7.934150703e+04 5.441786825e+04 -3.608874133e+02 6.510591618e+05 0.64 1.798564581e+04 9.819093887e+03 5.925034671e+04 2.885332029e+04 -2.943220790e+02 4.801977932e+05 0.66 1.419874616e+04 7.780306136e+03 4.464489483e+04 1.560577171e+04 -2.457353999e+02 3.575264796e+05 0.68 1.128827276e+04 6.207311092e+03 3.392464186e+04 8.603408453e+03 -2.052352941e+02 2.685672735e+05 0.70 9.033826600e+03 4.984322468e+03 2.598341458e+04 4.830113820e+03 -1.712578965e+02 2.034329376e+05 0.72 7.274860862e+03 4.026674733e+03 2.005068212e+04 2.760688414e+03 -1.426815085e+02 1.553179877e+05 0.74 5.892911776e+03 3.271662438e+03 1.558212200e+04 1.605872836e+03 -1.185945117e+02 1.194703762e+05 0.76 4.800073978e+03 2.672587205e+03 1.219054847e+04 9.508207504e+02 -9.825496006e+01 9.254775694e+04 0.78 3.930519602e+03 2.194356174e+03 9.597698046e+03 5.733205394e+02 -8.105519280e+01 7.217416328e+04 0.80 3.234565581e+03 1.810392761e+03 7.601798411e+03 3.523494537e+02 -6.649502936e+01 5.664496308e+04 0.82 2.674433429e+03 1.500421111e+03 6.055300860e+03 2.209540392e+02 -5.416076923e+01 4.472644201e+04 0.84 2.221230752e+03 1.248884358e+03 4.849573436e+03 1.415708852e+02 -4.370930950e+01 3.551936029e+04 0.86 1.852696833e+03 1.043758600e+03 3.903966419e+03 9.280233332e+01 -3.485465703e+01 2.836259808e+04 0.88 1.551567362e+03 8.756900018e+02 3.158159173e+03 6.229297081e+01 -2.735739216e+01 2.276636193e+04 0.90 1.304388308e+03 7.373673110e+02 2.566777473e+03 4.282226765e+01 -2.101665894e+01 1.836561062e+04 0.92 1.100600133e+03 6.230354315e+02 2.095420880e+03 3.011260119e+01 -1.566306306e+01 1.488606988e+04 0.94 9.318841113e+02 5.281476350e+02 1.717889501e+03 2.160300435e+01 -1.115359077e+01 1.212066858e+04 0.96 7.916430126e+02 4.490880857e+02 1.414081860e+03 1.574018692e+01 -7.366909005e+00 9.911883047e+03 0.98 6.746244535e+02 3.829702444e+02 1.168503846e+03 1.157219256e+01 -4.199917897e+00 8.139296997e+03 1.00 5.766237053e+02 3.274772292e+02 9.691390038e+02 8.508581428e+00 -1.564692909e+00 6.710271987e+03 1.02 4.942600574e+02 2.807414116e+02 8.066213955e+02 6.179081600e+00 6.139244000e-01 5.553167795e+03 1.04 4.248035397e+02 2.412508722e+02 6.736147654e+02 4.348795047e+00 2.400332157e+00 4.612296179e+03 1.06 3.660412964e+02 2.077770881e+02 5.643472584e+02 2.866919272e+00 3.849805447e+00 3.844167936e+03 1.08 3.161708539e+02 1.793169872e+02 4.742531202e+02 1.635296166e+00 5.009936456e+00 3.214629086e+03 1.10 2.737195860e+02 1.550491587e+02 3.997076392e+02 5.891605597e-01 5.921741679e+00 2.696754789e+03 1.12 2.374790439e+02 1.342980257e+02 3.378189718e+02 -3.149416463e-01 6.620661225e+00 2.269210343e+03 1.14 2.064542777e+02 1.165061469e+02 2.862710827e+02 -1.106695115e+00 7.137358112e+00 1.915022414e+03 1.16 1.798231251e+02 1.012119059e+02 2.432013585e+02 -1.806808888e+00 7.498407247e+00 1.620628922e+03 1.18 1.569041918e+02 8.803193070e+01 2.071065847e+02 -2.430070225e+00 7.726861276e+00 1.375153805e+03 1.20 1.371306622e+02 7.664667273e+01 1.767684869e+02 -2.987322850e+00 7.842749981e+00 1.169837237e+03 1.22 1.200297489e+02 6.678907299e+01 1.511964750e+02 -3.486743097e+00 7.863485371e+00 9.976000209e+02 1.24 1.052057076e+02 5.823516805e+01 1.295818240e+02 -3.934682551e+00 7.804221371e+00 8.526976495e+02 1.26 9.232647520e+01 5.079668919e+01 1.112622854e+02 -4.336219077e+00 7.678144418e+00 7.304544621e+02 1.28 8.111256304e+01 4.431489441e+01 9.569358698e+01 -4.695527900e+00 7.496730359e+00 6.270509023e+02 1.30 7.132807418e+01 3.865557064e+01 8.242696125e+01 -5.016130501e+00 7.269959961e+00 5.393564284e+02 1.32 6.277347258e+01 3.370500403e+01 7.109148658e+01 -5.301062215e+00 7.006497622e+00 4.647983681e+02 1.34 5.527942064e+01 2.936653585e+01 6.137963498e+01 -5.552990964e+00 6.713853468e+00 4.012547295e+02 1.36 4.870193629e+01 2.555785328e+01 5.303613699e+01 -5.774296809e+00 6.398514390e+00 3.469713121e+02 1.38 4.291827549e+01 2.220868034e+01 4.584881901e+01 -5.967129944e+00 6.066065186e+00 3.004937492e+02 1.40 3.782356197e+01 1.925888464e+01 3.964119341e+01 -6.133451885e+00 5.721297054e+00 2.606131829e+02 1.42 3.332797235e+01 1.665689317e+01 3.426627396e+01 -6.275066002e+00 5.368308721e+00 2.263220923e+02 1.44 2.935441666e+01 1.435838475e+01 2.960141627e+01 -6.393639953e+00 5.010598815e+00 1.967786501e+02 1.46 2.583658749e+01 1.232518827e+01 2.554396256e+01 -6.490723138e+00 4.651150039e+00 1.712775277e+02 1.48 2.271733917e+01 1.052436589e+01 2.200765467e+01 -6.567760132e+00 4.292502560e+00 1.492262040e+02 1.50 1.994731763e+01 8.927436631e+00 1.891969849e+01 -6.626101692e+00 3.936816996e+00 1.301255256e+02 1.52 1.748381593e+01 7.509726932e+00 1.621841385e+01 -6.667013625e+00 3.585926934e+00 1.135538991e+02 1.54 1.528981273e+01 6.249824114e+00 1.385135464e+01 -6.691684124e+00 3.241382637e+00 9.915437355e+01 1.56 1.333315061e+01 5.129108610e+00 1.177378046e+01 -6.701230286e+00 2.904487996e+00 8.662394882e+01 1.58 1.158585283e+01 4.131364530e+00 9.947433035e+00 -6.696703423e+00 2.576331449e+00 7.570488194e+01 1.60 1.002353170e+01 3.242441843e+00 8.339515033e+00 -6.679094095e+00 2.257812834e+00 6.617739700e+01 1.62 8.624896118e+00 2.449974888e+00 6.921859803e+00 -6.649336266e+00 1.949666396e+00 5.785373434e+01 1.64 7.371326963e+00 1.743139319e+00 5.670231410e+00 -6.608311197e+00 1.652481071e+00 5.057315732e+01 1.66 6.246513970e+00 1.112443958e+00 4.563738173e+00 -6.556851009e+00 1.366718260e+00 4.419778514e+01 1.68 5.236148752e+00 5.495546486e-01 3.584343171e+00 -6.495741794e+00 1.092727523e+00 3.860913726e+01 1.70 4.327658975e+00 4.714151629e-02 2.716447461e+00 -6.425726579e+00 8.307604739e-01 3.370521455e+01 1.72 3.509982114e+00 -4.012511571e-01 1.946540124e+00 -6.347507959e+00 5.809830850e-01 2.939806258e+01 1.74 2.773369194e+00 -8.013179533e-01 1.262899297e+00 -6.261750613e+00 3.434865830e-01 2.561170654e+01 1.76 2.109216708e+00 -1.158089204e+00 6.553395290e-01 -6.169083574e+00 1.182970964e-01 2.228041628e+01 1.78 1.509921728e+00 -1.476014584e+00 1.149969052e-01 -6.070102327e+00 -9.461578314e-02 1.934723998e+01 1.80 9.687569879e-01 -1.759035254e+00 -3.658536611e-01 -5.965370746e+00 -2.953313944e-01 1.676276351e+01 1.82 4.797607152e-01 -2.010647557e+00 -7.939565295e-01 -5.855422980e+00 -4.839713823e-01 1.448404315e+01 1.84 3.764388743e-02 -2.233956647e+00 -1.175207455e+00 -5.740765070e+00 -6.606936989e-01 1.247371687e+01 1.86 -3.622921470e-01 -2.431724195e+00 -1.514768702e+00 -5.621876552e+00 -8.256873933e-01 1.069923388e+01 1.88 -7.242268108e-01 -2.606409605e+00 -1.817167009e+00 -5.499211914e+00 -9.791679880e-01 9.132200495e+00 1.90 -1.051882103e+00 -2.760205831e+00 -2.086377734e+00 -5.373201951e+00 -1.121373373e+00 7.747821299e+00 1.92 -1.348576864e+00 -2.895070852e+00 -2.325897292e+00 -5.244255042e+00 -1.252560223e+00 6.524418184e+00 1.94 -1.617273819e+00 -3.012754975e+00 -2.538805429e+00 -5.112758320e+00 -1.373000795e+00 5.443019264e+00 1.96 -1.860621079e+00 -3.114824902e+00 -2.727818972e+00 -4.979078790e+00 -1.482980146e+00 4.487003799e+00 1.98 -2.080988146e+00 -3.202684655e+00 -2.895338107e+00 -4.843564344e+00 -1.582793638e+00 3.641797699e+00 2.00 -2.280497798e+00 -3.277594061e+00 -3.043486541e+00 -4.706544732e+00 -1.672744778e+00 2.894609641e+00 2.02 -2.461053864e+00 -3.340684889e+00 -3.174146131e+00 -4.568332457e+00 -1.753143287e+00 2.234203809e+00 2.04 -2.624365913e+00 -3.392975173e+00 -3.288987146e+00 -4.429223619e+00 -1.824303436e+00 1.650701951e+00 2.06 -2.771970645e+00 -3.435381612e+00 -3.389494112e+00 -4.289498701e+00 -1.886542530e+00 1.135413746e+00 2.08 -2.905251112e+00 -3.468730716e+00 -3.476988772e+00 -4.149423302e+00 -1.940179634e+00 6.806873517e-01 2.10 -3.025453400e+00 -3.493768451e+00 -3.552649624e+00 -4.009248836e+00 -1.985534400e+00 2.797812477e-01 2.12 -3.133701525e+00 -3.511168856e+00 -3.617529292e+00 -3.869213170e+00 -2.022926064e+00 -7.324846858e-02 2.14 -3.231010534e+00 -3.521541601e+00 -3.672569395e+00 -3.729541242e+00 -2.052672554e+00 -3.836456551e-01 2.16 -3.318298203e+00 -3.525438708e+00 -3.718613795e+00 -3.590445626e+00 -2.075089712e+00 -6.560399120e-01 2.18 -3.396395288e+00 -3.523360425e+00 -3.756419992e+00 -3.452127073e+00 -2.090490590e+00 -8.945209001e-01 2.20 -3.466054700e+00 -3.515760490e+00 -3.786669164e+00 -3.314775015e+00 -2.099184856e+00 -1.102703885e+00 2.22 -3.527959649e+00 -3.503050718e+00 -3.809974991e+00 -3.178568047e+00 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