# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2009--Bonny-G-Pasianot-R-C-Castin-N-Malerba-L--Fe-Cu-Ni # implementation = 2009--Bonny-G--Fe-Cu-Ni--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 Cu Cu Cu Fe Cu Ni Fe Fe Fe Ni Ni Ni 0.02 2.503300357e+04 5.661995092e+02 6.857812468e+02 3.996608672e+05 3.698694165e+02 8.447034974e+02 0.04 2.216723628e+04 5.517404660e+02 6.643137623e+02 1.680231913e+05 3.603897104e+02 8.209425865e+02 0.06 1.962845291e+04 5.375270662e+02 6.432979036e+02 9.586284411e+04 3.510852858e+02 7.975314356e+02 0.08 1.737966673e+04 5.235572088e+02 6.227288642e+02 6.233255409e+04 3.419545038e+02 7.744700596e+02 0.10 1.538804547e+04 5.098287924e+02 6.026018388e+02 4.364782543e+04 3.329957258e+02 7.517584705e+02 0.12 1.362444590e+04 4.963397155e+02 5.829120235e+02 3.206734972e+04 3.242073130e+02 7.293966773e+02 0.14 1.206300054e+04 4.830878766e+02 5.636546154e+02 2.436804534e+04 3.155876271e+02 7.073846859e+02 0.16 1.068075071e+04 4.700711741e+02 5.448248130e+02 1.898824235e+04 3.071350297e+02 6.857224990e+02 0.18 9.457320693e+03 4.572875060e+02 5.264178160e+02 1.508773792e+04 2.988478828e+02 6.644101163e+02 0.20 8.374628363e+03 4.447347704e+02 5.084288256e+02 1.217813717e+04 2.907245483e+02 6.434475342e+02 0.22 7.416628296e+03 4.324108653e+02 4.908530448e+02 9.958112402e+03 2.827633882e+02 6.228347464e+02 0.24 6.569083592e+03 4.203136884e+02 4.736856779e+02 8.232767520e+03 2.749627649e+02 6.025717431e+02 0.26 5.819363284e+03 4.084411373e+02 4.569219312e+02 6.871149739e+03 2.673210409e+02 5.826585115e+02 0.28 5.156262420e+03 3.967911095e+02 4.405570132e+02 5.782479787e+03 2.598365787e+02 5.630950363e+02 0.30 4.569842287e+03 3.853615024e+02 4.245861347e+02 4.902175189e+03 2.525077410e+02 5.438812989e+02 0.32 4.051288524e+03 3.741502130e+02 4.090045092e+02 4.183279133e+03 2.453328908e+02 5.250172783e+02 0.34 3.592785113e+03 3.631552123e+02 3.938073531e+02 3.591008852e+03 2.383103913e+02 5.065029507e+02 0.36 3.187402471e+03 3.523745768e+02 3.789898863e+02 3.099183350e+03 2.312481342e+02 4.883382900e+02 0.38 2.828998061e+03 3.418062153e+02 3.645473326e+02 2.687832558e+03 2.241590526e+02 4.705232678e+02 0.40 2.512128118e+03 3.314480287e+02 3.504749202e+02 2.341532830e+03 2.172049606e+02 4.530578535e+02 0.42 2.231969254e+03 3.212979179e+02 3.367678827e+02 2.048242305e+03 2.103853137e+02 4.359420152e+02 0.44 1.984248822e+03 3.113537843e+02 3.234214595e+02 1.798467892e+03 2.036996109e+02 4.191757193e+02 0.46 1.765183063e+03 3.016135295e+02 3.104308971e+02 1.584659888e+03 1.971474117e+02 4.027589308e+02 0.48 1.571422175e+03 2.920750553e+02 2.977914501e+02 1.400765893e+03 1.907268343e+02 3.866916140e+02 0.50 1.400001505e+03 2.827362640e+02 2.854983735e+02 1.241898024e+03 1.844323397e+02 3.709737330e+02 0.52 1.248298207e+03 2.735950585e+02 2.735464275e+02 1.104081881e+03 1.782627759e+02 3.556052520e+02 0.54 1.113992731e+03 2.646493424e+02 2.619305344e+02 9.840652705e+02 1.722173710e+02 3.405861354e+02 0.56 9.950346132e+02 2.558970201e+02 2.506458895e+02 8.791711373e+02 1.662953481e+02 3.259163491e+02 0.58 8.896120852e+02 2.473359973e+02 2.396876895e+02 7.871835284e+02 1.604959257e+02 3.115958607e+02 0.60 7.961250948e+02 2.389641809e+02 2.290511325e+02 7.062584982e+02 1.548183205e+02 2.976246405e+02 0.62 7.131613174e+02 2.307794795e+02 2.187314176e+02 6.348539989e+02 1.492617513e+02 2.840026622e+02 0.64 6.394748074e+02 2.227798038e+02 2.087237456e+02 5.716743479e+02 1.438254402e+02 2.707299040e+02 0.66 5.739670564e+02 2.149630673e+02 1.990233186e+02 5.156259682e+02 1.385086178e+02 2.578063494e+02 0.68 5.156701641e+02 2.073271865e+02 1.896253398e+02 4.657819076e+02 1.333105255e+02 2.452319891e+02 0.70 4.637318835e+02 1.998700819e+02 1.805250139e+02 4.213532418e+02 1.282302324e+02 2.330068216e+02 0.72 4.174023298e+02 1.925896785e+02 1.717175468e+02 3.816659045e+02 1.232661681e+02 2.211308559e+02 0.74 3.760221698e+02 1.854839076e+02 1.631981449e+02 3.461418218e+02 1.184174555e+02 2.096041125e+02 0.76 3.390121234e+02 1.785507069e+02 1.549620156e+02 3.142834811e+02 1.136833185e+02 1.984266261e+02 0.78 3.058636328e+02 1.717880229e+02 1.470043668e+02 2.856612502e+02 1.090629923e+02 1.875984485e+02 0.80 2.761305679e+02 1.651938117e+02 1.393204059e+02 2.599029128e+02 1.045557262e+02 1.771196515e+02 0.82 2.494218528e+02 1.587660412e+02 1.319053405e+02 2.366849972e+02 1.001607886e+02 1.669902752e+02 0.84 2.253949106e+02 1.525026930e+02 1.247543768e+02 2.157255617e+02 9.587747069e+01 1.572100286e+02 0.86 2.037498348e+02 1.464017640e+02 1.178627200e+02 1.967781690e+02 9.170509090e+01 1.477788932e+02 0.88 1.842242070e+02 1.404612689e+02 1.112255736e+02 1.796268353e+02 8.764300334e+01 1.386969360e+02 0.90 1.665884878e+02 1.346792411e+02 1.048381388e+02 1.640817811e+02 8.369060574e+01 1.299642438e+02 0.92 1.506419188e+02 1.290537347e+02 9.869561459e+01 1.499758431e+02 7.984735134e+01 1.215809266e+02 0.94 1.362088766e+02 1.235828238e+02 9.279319753e+01 1.371614360e+02 7.611175606e+01 1.135471198e+02 0.96 1.231356300e+02 1.182646020e+02 8.712608193e+01 1.255079690e+02 7.248103527e+01 1.058629876e+02 0.98 1.112874557e+02 1.130971788e+02 8.168946037e+01 1.148996444e+02 6.895439747e+01 9.852872745e+01 1.00 1.005460709e+02 1.080786742e+02 7.647852466e+01 1.052315850e+02 6.553111892e+01 9.154457355e+01 1.02 9.080734986e+01 1.032072094e+02 7.148846722e+01 9.631656738e+01 6.221046703e+01 8.491080249e+01 1.04 8.197929136e+01 9.848089547e+01 6.671448297e+01 8.800744353e+01 5.899169954e+01 7.862773904e+01 1.06 7.398020935e+01 9.389781745e+01 6.215177201e+01 8.027725248e+01 5.587406397e+01 7.269576350e+01 1.08 6.673712274e+01 8.945601771e+01 5.779554271e+01 7.309860856e+01 5.285679762e+01 6.711532061e+01 1.10 6.018432160e+01 8.515347793e+01 5.364101569e+01 6.644376815e+01 4.993912844e+01 6.188693054e+01 1.12 5.426209055e+01 8.098810330e+01 4.968343990e+01 6.028490887e+01 4.712027493e+01 5.700879648e+01 1.14 4.891557178e+01 7.695771145e+01 4.591815026e+01 5.459437295e+01 4.439943717e+01 5.246441171e+01 1.16 4.409375233e+01 7.306002876e+01 4.234050484e+01 4.934487631e+01 4.177579354e+01 4.823282648e+01 1.18 3.974856194e+01 6.929269590e+01 3.894585448e+01 4.450968577e+01 3.924850772e+01 4.429458371e+01 1.20 3.583406914e+01 6.565328281e+01 3.572954372e+01 4.006276642e+01 3.681612979e+01 4.063160924e+01 1.22 3.230594890e+01 6.213931171e+01 3.268691012e+01 3.597890169e+01 3.447664000e+01 3.722711545e+01 1.24 2.912286800e+01 5.874828471e+01 2.981328212e+01 3.223378852e+01 3.222885817e+01 3.406552635e+01 1.26 2.624793977e+01 5.547771230e+01 2.710397653e+01 2.880411002e+01 3.007155401e+01 3.113241431e+01 1.28 2.364840042e+01 5.232513847e+01 2.455429530e+01 2.566758818e+01 2.800343394e+01 2.841447067e+01 1.30 2.129515626e+01 4.928815965e+01 2.215952240e+01 2.280301868e+01 2.602314437e+01 2.589875937e+01 1.32 1.916237978e+01 4.636443587e+01 1.991492123e+01 2.019029035e+01 2.412927644e+01 2.356809818e+01 1.34 1.722714920e+01 4.355169431e+01 1.781574601e+01 1.781039108e+01 2.232037196e+01 2.140950380e+01 1.36 1.546912682e+01 4.084772624e+01 1.585735146e+01 1.564540228e+01 2.059493107e+01 1.941170568e+01 1.38 1.387027184e+01 3.825037938e+01 1.403505854e+01 1.367848375e+01 1.895142166e+01 1.756408494e+01 1.40 1.241458390e+01 3.575754759e+01 1.234405209e+01 1.189385043e+01 1.738829082e+01 1.585663813e+01 1.42 1.108787409e+01 3.336715956e+01 1.077940507e+01 1.027674272e+01 1.590397913e+01 1.427994373e+01 1.44 9.877560260e+00 3.107716790e+01 9.336109289e+00 8.813391534e+00 1.449693845e+01 1.282513415e+01 1.46 8.772484200e+00 2.888553933e+01 8.009105633e+00 7.490979487e+00 1.316565518e+01 1.148386728e+01 1.48 7.762748146e+00 2.679024652e+01 6.793311101e+00 6.297599089e+00 1.190868130e+01 1.024830129e+01 1.50 6.839568620e+00 2.478926152e+01 5.683640484e+00 5.222208971e+00 1.072467736e+01 9.111070619e+00 1.52 5.995145684e+00 2.288055083e+01 4.675022600e+00 4.254588905e+00 9.610085200e+00 8.065262853e+00 1.54 5.222545971e+00 2.106207493e+01 3.762410930e+00 3.385294315e+00 8.561026136e+00 7.104397074e+00 1.56 4.515597989e+00 1.933189632e+01 2.940629578e+00 2.605610831e+00 7.575464093e+00 6.222401811e+00 1.58 3.868798393e+00 1.768812426e+01 2.204567202e+00 1.907509397e+00 6.651350179e+00 5.413595106e+00 1.60 3.277228050e+00 1.612871563e+01 1.549248081e+00 1.283602300e+00 5.786627429e+00 4.672664352e+00 1.62 2.736476828e+00 1.465149797e+01 9.697237239e-01 7.271004456e-01 4.979235060e+00 3.994646535e+00 1.64 2.242576211e+00 1.325420908e+01 4.610681283e-01 2.317721347e-01 4.227112189e+00 3.374910109e+00 1.66 1.791938872e+00 1.193453340e+01 1.837397163e-02 -2.080964829e-01 3.528201213e+00 2.809136347e+00 1.68 1.381304491e+00 1.069013258e+01 -3.632517673e-01 -5.977391289e-01 2.880450385e+00 2.293301611e+00 1.70 1.007691136e+00 9.518669098e+00 -6.886911698e-01 -9.419452052e-01 2.281816246e+00 1.823661247e+00 1.72 6.683516334e-01 8.417822957e+00 -9.628184478e-01 -1.245093633e+00 1.730265501e+00 1.396732035e+00 1.74 3.607343872e-01 7.385302054e+00 -1.190502289e+00 -1.511184700e+00 1.223776581e+00 1.009277996e+00 1.76 8.244819290e-02 6.418847251e+00 -1.376607619e+00 -1.743869918e+00 7.603407746e-01 6.582943524e-01 1.78 -1.687693858e-01 5.516233240e+00 -1.525996760e+00 -1.946479913e+00 3.379632951e-01 3.409937883e-01 1.80 -3.950804443e-01 4.675266338e+00 -1.643530195e+00 -2.122050401e+00 -4.533595722e-02 5.479365038e-02 1.82 -5.985659037e-01 3.893780253e+00 -1.734066809e+00 -2.273346284e+00 -3.915221353e-01 -2.026978347e-01 1.84 -7.811781153e-01 3.169630715e+00 -1.802464116e+00 -2.402883957e+00 -7.025449838e-01 -4.336930817e-01 1.86 -9.446911683e-01 2.500689705e+00 -1.853578096e+00 -2.512951881e+00 -9.803386690e-01 -6.402349279e-01 1.88 -1.090713140e+00 1.884839858e+00 -1.892263013e+00 -2.605629515e+00 -1.226821862e+00 -8.244858913e-01 1.90 -1.220702899e+00 1.319969430e+00 -1.923371286e+00 -2.682804687e+00 -1.443897823e+00 -9.888787116e-01 1.92 -1.335985256e+00 8.039681024e-01 -1.950953106e+00 -2.746189483e+00 -1.633454524e+00 -1.135080708e+00 1.94 -1.437764623e+00 3.347237684e-01 -1.975856446e+00 -2.797334761e+00 -1.797365041e+00 -1.264602734e+00 1.96 -1.527137348e+00 -8.987966769e-02 -1.998126810e+00 -2.837643351e+00 -1.937487589e+00 -1.378840159e+00 1.98 -1.605102843e+00 -4.719634996e-01 -2.017807097e+00 -2.868382059e+00 -2.055665848e+00 -1.479081663e+00 2.00 -1.672573641e+00 -8.136545306e-01 -2.034937790e+00 -2.890692105e+00 -2.153729516e+00 -1.566516706e+00 2.02 -1.730384490e+00 -1.117084611e+00 -2.049556925e+00 -2.909130334e+00 -2.233499116e+00 -1.642242626e+00 2.04 -1.779300569e+00 -1.384389549e+00 -2.061699839e+00 -2.927285039e+00 -2.297222110e+00 -1.707271752e+00 2.06 -1.820024933e+00 -1.617707538e+00 -2.071400100e+00 -2.944754947e+00 -2.346992546e+00 -1.762537288e+00 2.08 -1.853205244e+00 -1.819177267e+00 -2.078688769e+00 -2.961128904e+00 -2.384626139e+00 -1.808899469e+00 2.10 -1.879439880e+00 -1.990935832e+00 -2.083595422e+00 -2.975985364e+00 -2.411928200e+00 -1.847150811e+00 2.12 -1.899283466e+00 -2.135116588e+00 -2.086147760e+00 -2.988891464e+00 -2.430694508e+00 -1.878021154e+00 2.14 -1.913251897e+00 -2.253847030e+00 -2.086372237e+00 -2.999402152e+00 -2.442711791e+00 -1.902182475e+00 2.16 -1.921826895e+00 -2.349246806e+00 -2.084294103e+00 -3.007059346e+00 -2.449758137e+00 -1.920253193e+00 2.18 -1.925460148e+00 -2.423425898e+00 -2.079937692e+00 -3.011391169e+00 -2.453603555e+00 -1.932802306e+00 2.20 -1.924577080e+00 -2.478483033e+00 -2.073326527e+00 -3.011911234e+00 -2.456010362e+00 -1.940353066e+00 2.22 -1.919580270e+00 -2.516504335e+00 -2.064483768e+00 -3.008310240e+00 -2.458333505e+00 -1.943386487e+00 2.24 -1.910852576e+00 -2.539562231e+00 -2.053432259e+00 -3.001032063e+00 -2.460321048e+00 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