# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2009--Bonny-G-Pasianot-R-C-Malerba-L--Fe-Ni # implementation = 2009--Bonny-G--Fe-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 Fe Fe Fe Ni Ni Ni 0.02 3.996608672e+05 3.413668093e+02 8.447034974e+02 0.04 1.680231913e+05 3.318871031e+02 8.209425865e+02 0.06 9.586284411e+04 3.225826785e+02 7.975314356e+02 0.08 6.233255409e+04 3.134518966e+02 7.744700596e+02 0.10 4.364782543e+04 3.044931185e+02 7.517584705e+02 0.12 3.206734972e+04 2.957047057e+02 7.293966773e+02 0.14 2.436804534e+04 2.870850198e+02 7.073846859e+02 0.16 1.898824235e+04 2.786324225e+02 6.857224990e+02 0.18 1.508773792e+04 2.703452755e+02 6.644101163e+02 0.20 1.217813717e+04 2.622219410e+02 6.434475342e+02 0.22 9.958112402e+03 2.542607809e+02 6.228347464e+02 0.24 8.232767520e+03 2.464601577e+02 6.025717431e+02 0.26 6.871149739e+03 2.388184336e+02 5.826585115e+02 0.28 5.782479787e+03 2.313339714e+02 5.630950363e+02 0.30 4.902175189e+03 2.240051337e+02 5.438812989e+02 0.32 4.183279133e+03 2.168302836e+02 5.250172783e+02 0.34 3.591008852e+03 2.098077840e+02 5.065029507e+02 0.36 3.099183350e+03 2.312481342e+02 4.883382900e+02 0.38 2.687832558e+03 2.241590526e+02 4.705232678e+02 0.40 2.341532830e+03 2.172049606e+02 4.530578535e+02 0.42 2.048242305e+03 2.103853137e+02 4.359420152e+02 0.44 1.798467892e+03 2.036996109e+02 4.191757193e+02 0.46 1.584659888e+03 1.971474117e+02 4.027589308e+02 0.48 1.400765893e+03 1.907268343e+02 3.866916140e+02 0.50 1.241898024e+03 1.844323397e+02 3.709737330e+02 0.52 1.104081881e+03 1.782627759e+02 3.556052520e+02 0.54 9.840652705e+02 1.722173710e+02 3.405861354e+02 0.56 8.791711373e+02 1.662953481e+02 3.259163491e+02 0.58 7.871835284e+02 1.604959257e+02 3.115958607e+02 0.60 7.062584982e+02 1.548183205e+02 2.976246405e+02 0.62 6.348539989e+02 1.492617513e+02 2.840026622e+02 0.64 5.716743479e+02 1.438254402e+02 2.707299040e+02 0.66 5.156259682e+02 1.385086178e+02 2.578063494e+02 0.68 4.657819076e+02 1.333105255e+02 2.452319891e+02 0.70 4.213532418e+02 1.282302324e+02 2.330068216e+02 0.72 3.816659045e+02 1.232661681e+02 2.211308559e+02 0.74 3.461418218e+02 1.184174555e+02 2.096041125e+02 0.76 3.142834811e+02 1.136833185e+02 1.984266261e+02 0.78 2.856612502e+02 1.090629923e+02 1.875984485e+02 0.80 2.599029128e+02 1.045557262e+02 1.771196515e+02 0.82 2.366849972e+02 1.001607886e+02 1.669902752e+02 0.84 2.157255617e+02 9.587747069e+01 1.572100286e+02 0.86 1.967781690e+02 9.170509090e+01 1.477788932e+02 0.88 1.796268353e+02 8.764300334e+01 1.386969360e+02 0.90 1.640817811e+02 8.369060574e+01 1.299642438e+02 0.92 1.499758431e+02 7.984735134e+01 1.215809266e+02 0.94 1.371614360e+02 7.611175606e+01 1.135471198e+02 0.96 1.255079690e+02 7.248103527e+01 1.058629876e+02 0.98 1.148996444e+02 6.895439747e+01 9.852872745e+01 1.00 1.052315850e+02 6.553111892e+01 9.154457355e+01 1.02 9.631656738e+01 6.221046703e+01 8.491080249e+01 1.04 8.800744353e+01 5.899169954e+01 7.862773904e+01 1.06 8.027725248e+01 5.587406397e+01 7.269576350e+01 1.08 7.309860856e+01 5.285679762e+01 6.711532061e+01 1.10 6.644376815e+01 4.993912844e+01 6.188693054e+01 1.12 6.028490887e+01 4.712027493e+01 5.700879648e+01 1.14 5.459437295e+01 4.439943717e+01 5.246441171e+01 1.16 4.934487631e+01 4.177579354e+01 4.823282648e+01 1.18 4.450968577e+01 3.924850772e+01 4.429458371e+01 1.20 4.006276642e+01 3.681612979e+01 4.063160924e+01 1.22 3.597890169e+01 3.447664000e+01 3.722711545e+01 1.24 3.223378852e+01 3.222885817e+01 3.406552635e+01 1.26 2.880411002e+01 3.007155401e+01 3.113241431e+01 1.28 2.566758818e+01 2.800343394e+01 2.841447067e+01 1.30 2.280301868e+01 2.602314437e+01 2.589875937e+01 1.32 2.019029035e+01 2.412927644e+01 2.356809818e+01 1.34 1.781039108e+01 2.232037196e+01 2.140950380e+01 1.36 1.564540228e+01 2.059493107e+01 1.941170568e+01 1.38 1.367848375e+01 1.895142166e+01 1.756408494e+01 1.40 1.189385043e+01 1.738829082e+01 1.585663813e+01 1.42 1.027674272e+01 1.590397913e+01 1.427994373e+01 1.44 8.813391534e+00 1.449693845e+01 1.282513415e+01 1.46 7.490979487e+00 1.316565518e+01 1.148386728e+01 1.48 6.297599089e+00 1.190868130e+01 1.024830129e+01 1.50 5.222208971e+00 1.072467736e+01 9.111070619e+00 1.52 4.254588905e+00 9.610085200e+00 8.065262853e+00 1.54 3.385294315e+00 8.561026136e+00 7.104397074e+00 1.56 2.605610831e+00 7.575464093e+00 6.222401811e+00 1.58 1.907509397e+00 6.651350179e+00 5.413595106e+00 1.60 1.283602300e+00 5.786627429e+00 4.672664352e+00 1.62 7.271004456e-01 4.979235060e+00 3.994646535e+00 1.64 2.317721347e-01 4.227112189e+00 3.374910109e+00 1.66 -2.080964829e-01 3.528201213e+00 2.809136347e+00 1.68 -5.977391289e-01 2.880450385e+00 2.293301611e+00 1.70 -9.419452052e-01 2.281816246e+00 1.823661247e+00 1.72 -1.245093633e+00 1.730265501e+00 1.396732035e+00 1.74 -1.511184700e+00 1.223776581e+00 1.009277996e+00 1.76 -1.743869918e+00 7.603407746e-01 6.582943524e-01 1.78 -1.946479913e+00 3.379632951e-01 3.409937883e-01 1.80 -2.122050401e+00 -4.533595722e-02 5.479365038e-02 1.82 -2.273346284e+00 -3.915221353e-01 -2.026978347e-01 1.84 -2.402883957e+00 -7.025449838e-01 -4.336930817e-01 1.86 -2.512951881e+00 -9.803386690e-01 -6.402349279e-01 1.88 -2.605629515e+00 -1.226821862e+00 -8.244858913e-01 1.90 -2.682804687e+00 -1.443897823e+00 -9.888787116e-01 1.92 -2.746189483e+00 -1.633454524e+00 -1.135080708e+00 1.94 -2.797334761e+00 -1.797365041e+00 -1.264602734e+00 1.96 -2.837643351e+00 -1.937487589e+00 -1.378840159e+00 1.98 -2.868382059e+00 -2.055665848e+00 -1.479081663e+00 2.00 -2.890692105e+00 -2.153729516e+00 -1.566516706e+00 2.02 -2.909130334e+00 -2.233499116e+00 -1.642242626e+00 2.04 -2.927285039e+00 -2.297222110e+00 -1.707271752e+00 2.06 -2.944754947e+00 -2.346992546e+00 -1.762537288e+00 2.08 -2.961128904e+00 -2.384626139e+00 -1.808899469e+00 2.10 -2.975985364e+00 -2.411928200e+00 -1.847150811e+00 2.12 -2.988891464e+00 -2.430694508e+00 -1.878021154e+00 2.14 -2.999402152e+00 -2.442711791e+00 -1.902182475e+00 2.16 -3.007059346e+00 -2.449758137e+00 -1.920253193e+00 2.18 -3.011391169e+00 -2.453603555e+00 -1.932802306e+00 2.20 -3.011911234e+00 -2.456010362e+00 -1.940353066e+00 2.22 -3.008310240e+00 -2.458333505e+00 -1.943386487e+00 2.24 -3.001032063e+00 -2.460321048e+00 -1.942344471e+00 2.26 -2.990696585e+00 -2.461314556e+00 -1.937633194e+00 2.28 -2.977907013e+00 -2.460649429e+00 -1.929625460e+00 2.30 -2.963249454e+00 -2.457655180e+00 -1.918663101e+00 2.32 -2.947202106e+00 -2.451655834e+00 -1.905060329e+00 2.34 -2.929863622e+00 -2.441970045e+00 -1.889104399e+00 2.36 -2.911223824e+00 -2.427936506e+00 -1.871059330e+00 2.38 -2.891253515e+00 -2.409463932e+00 -1.851166354e+00 2.40 -2.869903693e+00 -2.387031110e+00 -1.829646582e+00 2.42 -2.847119740e+00 -2.361158805e+00 -1.806702196e+00 2.44 -2.822893445e+00 -2.332451322e+00 -1.782518059e+00 2.46 -2.797230028e+00 -2.301534415e+00 -1.757263012e+00 2.48 -2.770134764e+00 -2.269034431e+00 -1.731091087e+00 2.50 -2.741612992e+00 -2.235578041e+00 -1.704142912e+00 2.52 -2.711707436e+00 -2.201692780e+00 -1.676546678e+00 2.54 -2.680610192e+00 -2.167507825e+00 -1.648419091e+00 2.56 -2.648550746e+00 -2.133053407e+00 -1.619866343e+00 2.58 -2.615758647e+00 -2.098359561e+00 -1.590984622e+00 2.60 -2.582463506e+00 -2.063457406e+00 -1.561861433e+00 2.62 -2.548847289e+00 -2.028377468e+00 -1.532576018e+00 2.64 -2.514901187e+00 -1.993150946e+00 -1.503200125e+00 2.66 -2.480568747e+00 -1.957809430e+00 -1.473798551e+00 2.68 -2.445793583e+00 -1.922384264e+00 -1.444429718e+00 2.70 -2.410519381e+00 -1.886907122e+00 -1.415146257e+00 2.72 -2.374704063e+00 -1.851409955e+00 -1.385995424e+00 2.74 -2.338362299e+00 -1.815924694e+00 -1.357019546e+00 2.76 -2.301523000e+00 -1.780483341e+00 -1.328256424e+00 2.78 -2.264215154e+00 -1.745117983e+00 -1.299739635e+00 2.80 -2.226467827e+00 -1.709860757e+00 -1.271498970e+00 2.82 -2.188303297e+00 -1.674743814e+00 -1.243560953e+00 2.84 -2.149716428e+00 -1.639799264e+00 -1.215949080e+00 2.86 -2.110695301e+00 -1.605059209e+00 -1.188683460e+00 2.88 -2.071228086e+00 -1.570555713e+00 -1.161781041e+00 2.90 -2.031303048e+00 -1.536320753e+00 -1.135257302e+00 2.92 -1.990908545e+00 -1.502386397e+00 -1.109126377e+00 2.94 -1.950033040e+00 -1.468784521e+00 -1.083397952e+00 2.96 -1.908665102e+00 -1.435546316e+00 -1.058079985e+00 2.98 -1.866793415e+00 -1.402703126e+00 -1.033182804e+00 3.00 -1.824406762e+00 -1.370286858e+00 -1.008710657e+00 3.02 -1.781511557e+00 -1.338325422e+00 -9.846659066e-01 3.04 -1.738184208e+00 -1.306829706e+00 -9.610566935e-01 3.06 -1.694518783e+00 -1.275806616e+00 -9.378789969e-01 3.08 -1.650609443e+00 -1.245264700e+00 -9.151378270e-01 3.10 -1.606550553e+00 -1.215211015e+00 -8.928314980e-01 3.12 -1.562436619e+00 -1.185651865e+00 -8.709581984e-01 3.14 -1.518362304e+00 -1.156594966e+00 -8.495184711e-01 3.16 -1.474422486e+00 -1.128045510e+00 -8.285066903e-01 3.18 -1.430712252e+00 -1.100012447e+00 -8.079229207e-01 3.20 -1.387326899e+00 -1.072497670e+00 -7.877606401e-01 3.22 -1.344361772e+00 -1.045513167e+00 -7.680175058e-01 3.24 -1.301911722e+00 -1.019056474e+00 -7.486880108e-01 3.26 -1.260071578e+00 -9.931435363e-01 -7.297666630e-01 3.28 -1.218936307e+00 -9.677644899e-01 -7.112490441e-01 3.30 -1.178601042e+00 -9.429459262e-01 -6.931286841e-01 3.32 -1.139139980e+00 -9.186627024e-01 -6.753981380e-01 3.34 -1.100542912e+00 -8.949551518e-01 -6.580556168e-01 3.36 -1.062778586e+00 -8.717971046e-01 -6.410878556e-01 3.38 -1.025815793e+00 -8.491974768e-01 -6.244928939e-01 3.40 -9.896237379e-01 -8.272029702e-01 -6.082668735e-01 3.42 -9.541725528e-01 -8.057315825e-01 -5.923903773e-01 3.44 -9.194309530e-01 -7.848689203e-01 -5.768699115e-01 3.46 -8.853684135e-01 -7.646851374e-01 -5.616987038e-01 3.48 -8.519574694e-01 -7.449920823e-01 -5.468503833e-01 3.50 -8.191638051e-01 -7.258064599e-01 -5.323360745e-01 3.52 -7.869648040e-01 -7.072882803e-01 -5.181583060e-01 3.54 -7.553221532e-01 -6.893484292e-01 -5.042798284e-01 3.56 -7.242201767e-01 -6.718348671e-01 -4.906980082e-01 3.58 -6.936091592e-01 -6.547496684e-01 -4.774407167e-01 3.60 -6.634973727e-01 -6.381277867e-01 -4.644849045e-01 3.62 -6.337909800e-01 -6.219797087e-01 -4.517848832e-01 3.64 -6.045279260e-01 -6.063138076e-01 -4.393537200e-01 3.66 -5.754948644e-01 -5.911369008e-01 -4.272312615e-01 3.68 -5.460535627e-01 -5.764474787e-01 -4.153959568e-01 3.70 -5.176581542e-01 -5.622412536e-01 -4.037808204e-01 3.72 -4.914434989e-01 -5.485091254e-01 -3.923698125e-01 3.74 -4.686142233e-01 -5.352386970e-01 -3.812430718e-01 3.76 -4.461774947e-01 -5.224147747e-01 -3.704604942e-01 3.78 -4.208723047e-01 -5.100171104e-01 -3.599483571e-01 3.80 -3.911725851e-01 -4.980250705e-01 -3.495933014e-01 3.82 -3.567706105e-01 -4.864133491e-01 -3.393410363e-01 3.84 -3.180979307e-01 -4.751370970e-01 -3.292617308e-01 3.86 -2.779579687e-01 -4.641729816e-01 -3.194333176e-01 3.88 -2.389363180e-01 -4.535024090e-01 -3.098852669e-01 3.90 -2.026034524e-01 -4.430977332e-01 -3.005468893e-01 3.92 -1.698088834e-01 -4.329297464e-01 -2.913453944e-01 3.94 -1.409067965e-01 -4.229640177e-01 -2.822326515e-01 3.96 -1.159254333e-01 -4.131550493e-01 -2.732232847e-01 3.98 -9.469095059e-02 -4.034648606e-01 -2.643402351e-01 4.00 -7.691506939e-02 -3.938573249e-01 -2.556020955e-01 4.02 -6.225449697e-02 -3.842958721e-01 -2.470219998e-01 4.04 -5.034888703e-02 -3.747508683e-01 -2.386033532e-01 4.06 -4.084298082e-02 -3.652240615e-01 -2.303554560e-01 4.08 -3.339755437e-02 -3.557203598e-01 -2.222869226e-01 4.10 -2.769288039e-02 -3.462453409e-01 -2.144050698e-01 4.12 -2.342759863e-02 -3.366644279e-01 -2.067154740e-01 4.14 -2.031517579e-02 -3.268940659e-01 -1.992220985e-01 4.16 -1.807952481e-02 -3.171155009e-01 -1.919287790e-01 4.18 -1.645084440e-02 -3.074736527e-01 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