# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--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 2024-01-04 r Cu Fe Cu Cu Cu Ni Fe Fe Cu Mn Mn Ni Ni Ni Fe Ni Mn Mn Fe Mn 0.02 5.662276769e+02 2.503300357e+04 6.857812468e+02 3.996588086e+05 9.610882794e+02 5.918504901e+02 8.447034974e+02 3.698694164e+02 8.307148610e+02 1.447719124e+03 0.04 5.517651513e+02 2.216723628e+04 6.643137623e+02 1.680214303e+05 9.341060467e+02 5.744729756e+02 8.209425865e+02 3.603897103e+02 8.060852596e+02 1.404092453e+03 0.06 5.375484884e+02 1.962845291e+04 6.432979036e+02 9.586135263e+04 9.076350856e+02 5.574377761e+02 7.975314356e+02 3.510852857e+02 7.819476798e+02 1.361349634e+03 0.08 5.235755890e+02 1.737966673e+04 6.227288642e+02 6.233130540e+04 8.816704814e+02 5.407415249e+02 7.744700596e+02 3.419545037e+02 7.582971481e+02 1.319481627e+03 0.10 5.098443539e+02 1.538804547e+04 6.026018388e+02 4.364679401e+04 8.562073169e+02 5.243808556e+02 7.517584705e+02 3.329957257e+02 7.351286908e+02 1.278479393e+03 0.12 4.963526840e+02 1.362444590e+04 5.829120235e+02 3.206651128e+04 8.312406724e+02 5.083524026e+02 7.293966773e+02 3.242073129e+02 7.124373342e+02 1.238333893e+03 0.14 4.830984800e+02 1.206300054e+04 5.636546154e+02 2.436737678e+04 8.067656257e+02 4.926528012e+02 7.073846859e+02 3.155876270e+02 6.902181049e+02 1.199036088e+03 0.16 4.700796425e+02 1.068075071e+04 5.448248130e+02 1.898772170e+04 7.827772528e+02 4.772786873e+02 6.857224990e+02 3.071350297e+02 6.684660292e+02 1.160576939e+03 0.18 4.572940724e+02 9.457320693e+03 5.264178160e+02 1.508734435e+04 7.592706275e+02 4.622266707e+02 6.644101163e+02 2.988478828e+02 6.471761335e+02 1.122947406e+03 0.20 4.447396703e+02 8.374628363e+03 5.084288257e+02 1.217785091e+04 7.362408222e+02 4.474931830e+02 6.434475343e+02 2.907245482e+02 6.263434441e+02 1.086138450e+03 0.22 4.324143369e+02 7.416628296e+03 4.908530448e+02 9.957914756e+03 7.136829077e+02 4.330748052e+02 6.228347464e+02 2.827633882e+02 6.059629876e+02 1.050141030e+03 0.24 4.203159727e+02 6.569083592e+03 4.736856779e+02 8.232640809e+03 6.915919541e+02 4.189681564e+02 6.025717431e+02 2.749627649e+02 5.860297902e+02 1.014946108e+03 0.26 4.084424784e+02 5.819363284e+03 4.569219312e+02 6.871077275e+03 6.699630303e+02 4.051698551e+02 5.826585115e+02 2.673210409e+02 5.665388783e+02 9.805446431e+02 0.28 3.967917545e+02 5.156262420e+03 4.405570132e+02 5.782445843e+03 6.487912054e+02 3.916765185e+02 5.630950363e+02 2.598365787e+02 5.474852785e+02 9.469275950e+02 0.30 3.853617018e+02 4.569842287e+03 4.245861347e+02 4.902164969e+03 6.280715480e+02 3.784847632e+02 5.438812989e+02 2.525077410e+02 5.288640169e+02 9.140859235e+02 0.32 3.741502209e+02 4.051288524e+03 4.090045092e+02 4.183278743e+03 6.077991274e+02 3.655912046e+02 5.250172783e+02 2.453328908e+02 5.106701200e+02 8.820105884e+02 0.34 3.631552123e+02 3.592785113e+03 3.938073531e+02 3.591008852e+03 5.879690132e+02 3.529924575e+02 5.065029507e+02 2.383103913e+02 4.928986142e+02 8.506925491e+02 0.36 3.523745768e+02 3.187402471e+03 3.789898863e+02 3.099183350e+03 5.685762760e+02 3.406851356e+02 4.883382900e+02 2.312481342e+02 4.755445259e+02 8.201227648e+02 0.38 3.418062153e+02 2.828998061e+03 3.645473326e+02 2.687832558e+03 5.496159878e+02 3.286658517e+02 4.705232678e+02 2.241590526e+02 4.586028814e+02 7.902921948e+02 0.40 3.314480287e+02 2.512128118e+03 3.504749202e+02 2.341532830e+03 5.310832216e+02 3.169312182e+02 4.530578535e+02 2.172049606e+02 4.420687071e+02 7.611917982e+02 0.42 3.212979179e+02 2.231969254e+03 3.367678827e+02 2.048242305e+03 5.129730523e+02 3.054778463e+02 4.359420152e+02 2.103853137e+02 4.259370294e+02 7.328125338e+02 0.44 3.113537843e+02 1.984248822e+03 3.234214595e+02 1.798467892e+03 4.952805565e+02 2.943023468e+02 4.191757193e+02 2.036996109e+02 4.102028747e+02 7.051453605e+02 0.46 3.016135295e+02 1.765183063e+03 3.104308971e+02 1.584659888e+03 4.780008125e+02 2.834013297e+02 4.027589308e+02 1.971474117e+02 3.948612692e+02 6.781812369e+02 0.48 2.920750553e+02 1.571422175e+03 2.977914501e+02 1.400765893e+03 4.611289006e+02 2.727714046e+02 3.866916140e+02 1.907268343e+02 3.799072395e+02 6.519111215e+02 0.50 2.827362640e+02 1.400001505e+03 2.854983734e+02 1.241898024e+03 4.446599031e+02 2.624091805e+02 3.709737330e+02 1.844323397e+02 3.653358118e+02 6.263259728e+02 0.52 2.735950585e+02 1.248298207e+03 2.735464275e+02 1.104081881e+03 4.285889043e+02 2.523112661e+02 3.556052520e+02 1.782627759e+02 3.511420125e+02 6.014167490e+02 0.54 2.646493424e+02 1.113992731e+03 2.619305344e+02 9.840652705e+02 4.129109905e+02 2.424742699e+02 3.405861354e+02 1.722173710e+02 3.373208680e+02 5.771744082e+02 0.56 2.558970201e+02 9.950346132e+02 2.506458895e+02 8.791711373e+02 3.976212496e+02 2.328948001e+02 3.259163491e+02 1.662953481e+02 3.238674045e+02 5.535899083e+02 0.58 2.473359973e+02 8.896120852e+02 2.396876895e+02 7.871835284e+02 3.827147717e+02 2.235694650e+02 3.115958607e+02 1.604959257e+02 3.107766486e+02 5.306542073e+02 0.60 2.389641809e+02 7.961250948e+02 2.290511325e+02 7.062584982e+02 3.681866483e+02 2.144948731e+02 2.976246405e+02 1.548183205e+02 2.980436265e+02 5.083582628e+02 0.62 2.307794795e+02 7.131613174e+02 2.187314176e+02 6.348539989e+02 3.540319727e+02 2.056676331e+02 2.840026622e+02 1.492617513e+02 2.856633646e+02 4.866930324e+02 0.64 2.227798038e+02 6.394748074e+02 2.087237456e+02 5.716743479e+02 3.402458398e+02 1.970843544e+02 2.707299040e+02 1.438254403e+02 2.736308892e+02 4.656494736e+02 0.66 2.149630673e+02 5.739670564e+02 1.990233186e+02 5.156259682e+02 3.268233455e+02 1.887416470e+02 2.578063494e+02 1.385086178e+02 2.619412267e+02 4.452185435e+02 0.68 2.073271865e+02 5.156701641e+02 1.896253398e+02 4.657819076e+02 3.137595872e+02 1.806361220e+02 2.452319890e+02 1.333105256e+02 2.505894033e+02 4.253911995e+02 0.70 1.998700819e+02 4.637318835e+02 1.805250139e+02 4.213532418e+02 3.010496634e+02 1.727643918e+02 2.330068216e+02 1.282302324e+02 2.395704456e+02 4.061583985e+02 0.72 1.925896785e+02 4.174023298e+02 1.717175468e+02 3.816659045e+02 2.886886735e+02 1.651230702e+02 2.211308559e+02 1.232661681e+02 2.288793797e+02 3.875110973e+02 0.74 1.854839076e+02 3.760221698e+02 1.631981449e+02 3.461418218e+02 2.766717177e+02 1.577087734e+02 2.096041125e+02 1.184174555e+02 2.185112321e+02 3.694402527e+02 0.76 1.785507069e+02 3.390121234e+02 1.549620156e+02 3.142834811e+02 2.649938969e+02 1.505181197e+02 1.984266261e+02 1.136833185e+02 2.084610290e+02 3.519368213e+02 0.78 1.717880229e+02 3.058636328e+02 1.470043668e+02 2.856612502e+02 2.536503127e+02 1.435477305e+02 1.875984485e+02 1.090629923e+02 1.987237968e+02 3.349917596e+02 0.80 1.651938117e+02 2.761305679e+02 1.393204059e+02 2.599029128e+02 2.426360671e+02 1.367942305e+02 1.771196515e+02 1.045557262e+02 1.892945619e+02 3.185960238e+02 0.82 1.587660412e+02 2.494218528e+02 1.319053405e+02 2.366849972e+02 2.319462625e+02 1.302542487e+02 1.669902752e+02 1.001607886e+02 1.801683504e+02 3.027405700e+02 0.84 1.525026930e+02 2.253949106e+02 1.247543768e+02 2.157255617e+02 2.215760015e+02 1.239244192e+02 1.572100286e+02 9.587747069e+01 1.713401889e+02 2.874163544e+02 0.86 1.464017640e+02 2.037498348e+02 1.178627200e+02 1.967781690e+02 2.115203869e+02 1.178013819e+02 1.477788932e+02 9.170509090e+01 1.628051035e+02 2.726143327e+02 0.88 1.404612689e+02 1.842242070e+02 1.112255736e+02 1.796268353e+02 2.017745217e+02 1.118817838e+02 1.386969360e+02 8.764300334e+01 1.545581207e+02 2.583254606e+02 0.90 1.346792411e+02 1.665884878e+02 1.048381388e+02 1.640817811e+02 1.923335089e+02 1.061622806e+02 1.299642438e+02 8.369060574e+01 1.465942666e+02 2.445406937e+02 0.92 1.290537347e+02 1.506419188e+02 9.869561459e+01 1.499758431e+02 1.831924515e+02 1.006394995e+02 1.215809266e+02 7.984735134e+01 1.389085677e+02 2.312509873e+02 0.94 1.235828238e+02 1.362088766e+02 9.279319753e+01 1.371614360e+02 1.743464522e+02 9.530948724e+01 1.135471198e+02 7.611175605e+01 1.314960502e+02 2.184472968e+02 0.96 1.182646020e+02 1.231356300e+02 8.712608193e+01 1.255079690e+02 1.657906138e+02 9.016863199e+01 1.058629876e+02 7.248103526e+01 1.243517404e+02 2.061205772e+02 0.98 1.130971788e+02 1.112874557e+02 8.168946037e+01 1.148996444e+02 1.575200389e+02 8.521352289e+01 9.852872744e+01 6.895439747e+01 1.174706647e+02 1.942617833e+02 1.00 1.080786742e+02 1.005460709e+02 7.647852466e+01 1.052326100e+02 1.495298311e+02 8.044075009e+01 9.154457355e+01 6.553111891e+01 1.108478494e+02 1.828618700e+02 1.02 1.032072094e+02 9.080734986e+01 7.148846722e+01 9.631656738e+01 1.418151104e+02 7.584690491e+01 8.491080249e+01 6.221046703e+01 1.044783206e+02 1.719117917e+02 1.04 9.848089547e+01 8.197929136e+01 6.671448296e+01 8.800744353e+01 1.343710022e+02 7.142858032e+01 7.862773902e+01 5.899169954e+01 9.835710481e+01 1.614025031e+02 1.06 9.389781745e+01 7.398020935e+01 6.215177201e+01 8.027725248e+01 1.271926251e+02 6.718237094e+01 7.269576350e+01 5.587406397e+01 9.247922822e+01 1.513249582e+02 1.08 8.945601771e+01 6.673712274e+01 5.779554271e+01 7.309860856e+01 1.202750905e+02 6.310487378e+01 6.711532061e+01 5.285679762e+01 8.683971714e+01 1.416701111e+02 1.10 8.515347793e+01 6.018432160e+01 5.364101569e+01 6.644376815e+01 1.136135032e+02 5.919268822e+01 6.188693054e+01 4.993912843e+01 8.143359784e+01 1.324289158e+02 1.12 8.098810330e+01 5.426209055e+01 4.968343990e+01 6.028490887e+01 1.072029623e+02 5.544241607e+01 5.700879684e+01 4.712027493e+01 7.625589660e+01 1.235923260e+02 1.14 7.695771145e+01 4.891557178e+01 4.591815026e+01 5.459437295e+01 1.010385611e+02 5.185065474e+01 5.246441124e+01 4.439943717e+01 7.130163971e+01 1.151512951e+02 1.16 7.306002876e+01 4.409375233e+01 4.234050484e+01 4.934487631e+01 9.511538850e+01 4.841399407e+01 4.823282658e+01 4.177579354e+01 6.656585343e+01 1.070967766e+02 1.18 6.929269590e+01 3.974856194e+01 3.894585448e+01 4.450968577e+01 8.942852929e+01 4.512901687e+01 4.429458396e+01 3.924850772e+01 6.204356403e+01 9.941972357e+01 1.20 6.565328281e+01 3.583406914e+01 3.572954372e+01 4.006276642e+01 8.397306481e+01 4.199229910e+01 4.063160897e+01 3.681612979e+01 5.772979778e+01 9.211108901e+01 1.22 6.213931171e+01 3.230594890e+01 3.268691011e+01 3.597890169e+01 7.874407367e+01 3.900041000e+01 3.722711550e+01 3.447664000e+01 5.361958093e+01 8.516182568e+01 1.24 5.874828471e+01 2.912286800e+01 2.981328212e+01 3.223378852e+01 7.373663242e+01 3.614991266e+01 3.406552638e+01 3.222885817e+01 4.970793975e+01 7.856288617e+01 1.26 5.547771230e+01 2.624793977e+01 2.710397653e+01 2.880411002e+01 6.894581608e+01 3.343736422e+01 3.113241436e+01 3.007155401e+01 4.598990049e+01 7.230522287e+01 1.28 5.232513847e+01 2.364840042e+01 2.455429532e+01 2.566758818e+01 6.436669870e+01 3.085931637e+01 2.841447064e+01 2.800343394e+01 4.246048939e+01 6.637978794e+01 1.30 4.928815965e+01 2.129515626e+01 2.215952240e+01 2.280301868e+01 5.999435393e+01 2.841231612e+01 2.589875940e+01 2.602314437e+01 3.911473271e+01 6.077753336e+01 1.32 4.636443587e+01 1.916237978e+01 1.991492125e+01 2.019029035e+01 5.582385539e+01 2.609290596e+01 2.356809825e+01 2.412927644e+01 3.594765668e+01 5.548941090e+01 1.34 4.355169431e+01 1.722714920e+01 1.781574601e+01 1.781039108e+01 5.185027716e+01 2.389762488e+01 2.140950362e+01 2.232037196e+01 3.295428755e+01 5.050637212e+01 1.36 4.084772624e+01 1.546912682e+01 1.585735146e+01 1.564540228e+01 4.806869412e+01 2.182300861e+01 1.941170585e+01 2.059493107e+01 3.012965154e+01 4.581936837e+01 1.38 3.825037938e+01 1.387027184e+01 1.403505852e+01 1.367848375e+01 4.447418221e+01 1.986559038e+01 1.756408500e+01 1.895142166e+01 2.746877488e+01 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