# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--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 Co Co Co Cr Co Cu Co Fe Co Ni Cr Cr Cr Cu Cr Fe Cr Ni Cu Cu Cu Fe Cu Ni Fe Fe Fe Ni Ni Ni 0.02 3.113014901e+02 3.164359521e+02 3.164931818e+02 3.131231833e+02 3.155752290e+02 3.213379396e+02 3.219205353e+02 3.149858246e+02 3.203640084e+02 3.223784130e+02 3.150090680e+02 3.208908973e+02 3.128775065e+02 3.140136816e+02 3.193867276e+02 0.04 3.002937383e+02 3.052995132e+02 3.053564370e+02 3.022971572e+02 3.044681898e+02 3.100264280e+02 3.106054841e+02 3.038578469e+02 3.090810086e+02 3.110556300e+02 3.038555924e+02 3.096018533e+02 3.025946022e+02 3.029022754e+02 3.081312187e+02 0.06 2.895501407e+02 2.944290389e+02 2.944853863e+02 2.917319823e+02 2.936263566e+02 2.989842708e+02 2.995587587e+02 2.929909823e+02 2.980666957e+02 3.000003775e+02 2.929636926e+02 2.985805608e+02 2.925256993e+02 2.920508542e+02 2.971437234e+02 0.08 2.790674958e+02 2.838212053e+02 2.838767464e+02 2.814240365e+02 2.830464315e+02 2.882081828e+02 2.887770941e+02 2.823818580e+02 2.873177869e+02 2.892094172e+02 2.823300788e+02 2.878237636e+02 2.826703568e+02 2.814561844e+02 2.864209673e+02 0.10 2.688426001e+02 2.734726964e+02 2.735272396e+02 2.713697347e+02 2.727251232e+02 2.776948794e+02 2.782572282e+02 2.720271285e+02 2.768310008e+02 2.786795140e+02 2.719514815e+02 2.773282077e+02 2.730280159e+02 2.711150505e+02 2.759596772e+02 0.12 2.588722480e+02 2.633802038e+02 2.634335929e+02 2.615655277e+02 2.626591469e+02 2.674410772e+02 2.679959005e+02 2.619234747e+02 2.666030577e+02 2.684074352e+02 2.618246501e+02 2.670906415e+02 2.635980035e+02 2.610242549e+02 2.657565823e+02 0.14 2.491532323e+02 2.535404263e+02 2.535925400e+02 2.520079002e+02 2.528452243e+02 2.574434936e+02 2.579898583e+02 2.520676026e+02 2.566306795e+02 2.583899633e+02 2.519464637e+02 2.571078229e+02 2.543795357e+02 2.511806164e+02 2.558084135e+02 0.16 2.396823439e+02 2.439500697e+02 2.440008638e+02 2.426933701e+02 2.432800978e+02 2.476988469e+02 2.482359506e+02 2.424562425e+02 2.469106229e+02 2.486241374e+02 2.423159936e+02 2.473767037e+02 2.453717219e+02 2.415816921e+02 2.461120027e+02 0.18 2.304563719e+02 2.346058468e+02 2.346553874e+02 2.336184871e+02 2.339605755e+02 2.382038562e+02 2.387311101e+02 2.330861477e+02 2.374397810e+02 2.391072045e+02 2.329340893e+02 2.378945296e+02 2.365735680e+02 2.322279833e+02 2.366645858e+02 0.20 2.214721043e+02 2.255044769e+02 2.255529316e+02 2.247798312e+02 2.248834802e+02 2.289552420e+02 2.294722564e+02 2.239540937e+02 2.282150683e+02 2.298363763e+02 2.238012975e+02 2.286585514e+02 2.279839797e+02 2.231204366e+02 2.274634593e+02 0.22 2.127263273e+02 2.166426856e+02 2.166903135e+02 2.161740118e+02 2.160456316e+02 2.199497262e+02 2.204562940e+02 2.150568856e+02 2.192333829e+02 2.208088222e+02 2.149177972e+02 2.196659721e+02 2.196017668e+02 2.142596068e+02 2.185058662e+02 0.24 2.042158257e+02 2.080172350e+02 2.080643465e+02 2.077976661e+02 2.074438469e+02 2.111841675e+02 2.116801987e+02 2.063928227e+02 2.104917074e+02 2.120216706e+02 2.062834145e+02 2.109139486e+02 2.114256451e+02 2.056456724e+02 2.097889973e+02 0.26 1.959373830e+02 1.996249529e+02 1.996718405e+02 1.996474582e+02 1.990749403e+02 2.026556965e+02 2.031411030e+02 1.979631635e+02 2.019872108e+02 2.034720106e+02 1.978976377e+02 2.023995933e+02 2.034542410e+02 1.972784512e+02 2.013099940e+02 0.28 1.878877814e+02 1.914626716e+02 1.915096022e+02 1.917200778e+02 1.909357240e+02 1.943614396e+02 1.948361228e+02 1.897691261e+02 1.937170428e+02 1.951568942e+02 1.897596312e+02 1.941199770e+02 1.956860939e+02 1.891574156e+02 1.930659504e+02 0.30 1.800638019e+02 1.835272190e+02 1.835744350e+02 1.840122389e+02 1.830230074e+02 1.862984810e+02 1.867623333e+02 1.818114777e+02 1.856783069e+02 1.870733372e+02 1.818682499e+02 1.860721295e+02 1.881196596e+02 1.812817071e+02 1.850539146e+02 0.32 1.724622247e+02 1.758154195e+02 1.758631397e+02 1.765206790e+02 1.753335980e+02 1.784638646e+02 1.789167711e+02 1.740905542e+02 1.778680623e+02 1.792183214e+02 1.742220531e+02 1.782530426e+02 1.807533133e+02 1.736501512e+02 1.772708924e+02 0.34 1.650798285e+02 1.683240930e+02 1.683725137e+02 1.692421575e+02 1.678643007e+02 1.708545959e+02 1.712964359e+02 1.666062786e+02 1.702833257e+02 1.715887961e+02 1.668193183e+02 1.706596712e+02 1.735853524e+02 1.662612720e+02 1.697138475e+02 0.36 1.579133913e+02 1.610500563e+02 1.610993523e+02 1.621734552e+02 1.606119187e+02 1.634676439e+02 1.638982923e+02 1.593581801e+02 1.629210735e+02 1.641816795e+02 1.596580545e+02 1.632889352e+02 1.666140000e+02 1.591133059e+02 1.623797048e+02 0.38 1.509596904e+02 1.539901225e+02 1.540404478e+02 1.553113727e+02 1.535732532e+02 1.562999429e+02 1.567192716e+02 1.523454120e+02 1.557782440e+02 1.569938604e+02 1.527360155e+02 1.561377215e+02 1.598374067e+02 1.522042159e+02 1.552653520e+02 0.40 1.442155019e+02 1.471411015e+02 1.471925905e+02 1.486527295e+02 1.467451035e+02 1.493483940e+02 1.497562733e+02 1.455667699e+02 1.488517388e+02 1.500221996e+02 1.460507129e+02 1.492028854e+02 1.532536545e+02 1.455317050e+02 1.483676411e+02 0.42 1.376776013e+02 1.404997999e+02 1.405525681e+02 1.421943629e+02 1.401242672e+02 1.426098670e+02 1.430061668e+02 1.390207090e+02 1.421384251e+02 1.432635315e+02 1.395994285e+02 1.424812525e+02 1.468607585e+02 1.390932297e+02 1.416833909e+02 0.44 1.313427635e+02 1.340630216e+02 1.341171665e+02 1.359331272e+02 1.337075401e+02 1.360812022e+02 1.364657932e+02 1.327053616e+02 1.356351375e+02 1.367146654e+02 1.333792272e+02 1.359696204e+02 1.406566702e+02 1.328860132e+02 1.352093885e+02 0.46 1.252077627e+02 1.278275676e+02 1.278831695e+02 1.298658925e+02 1.274917168e+02 1.297592116e+02 1.301319664e+02 1.266185538e+02 1.293386798e+02 1.303723874e+02 1.273869692e+02 1.296647600e+02 1.346392799e+02 1.269070582e+02 1.289423914e+02 0.48 1.192693727e+02 1.217902363e+02 1.218473591e+02 1.239895437e+02 1.214735902e+02 1.236406810e+02 1.240014752e+02 1.207578224e+02 1.232458267e+02 1.242334608e+02 1.216193213e+02 1.235634174e+02 1.288064189e+02 1.211531595e+02 1.228791289e+02 0.50 1.135243665e+02 1.159478235e+02 1.160065422e+02 1.183009796e+02 1.156499613e+02 1.177223712e+02 1.180710468e+02 1.151204309e+02 1.173533121e+02 1.182945929e+02 1.160715723e+02 1.176622456e+02 1.231558623e+02 1.156204887e+02 1.170162592e+02 0.52 1.079695170e+02 1.102971229e+02 1.103576094e+02 1.127971118e+02 1.100177143e+02 1.120010199e+02 1.123372654e+02 1.097033854e+02 1.116577250e+02 1.125523573e+02 1.107350196e+02 1.119576184e+02 1.176853306e+02 1.103012552e+02 1.113500173e+02 0.54 1.026015965e+02 1.048349259e+02 1.048974532e+02 1.074748643e+02 1.045737646e+02 1.064733430e+02 1.067966892e+02 1.045034507e+02 1.061555846e+02 1.070033038e+02 1.056006362e+02 1.064458579e+02 1.123924932e+02 1.051860317e+02 1.058764612e+02 0.56 9.741737702e+01 9.955802444e+01 9.962294894e+01 1.023311718e+02 9.931500989e+01 1.011360286e+02 1.014458780e+02 9.951704623e+01 1.008434051e+02 1.016439879e+02 1.006599768e+02 1.011233174e+02 1.072749693e+02 1.002659860e+02 1.005917072e+02 0.58 9.241363056e+01 9.446327812e+01 9.453095530e+01 9.736297946e+01 9.423833043e+01 9.598554976e+01 9.628134919e+01 9.473727098e+01 9.571753944e+01 9.647096989e+01 9.590514787e+01 9.598638008e+01 1.023303310e+02 9.553287004e+01 9.549192917e+01 0.60 8.758712867e+01 8.954760833e+01 8.961831536e+01 9.256724159e+01 8.934059025e+01 9.101818124e+01 9.129958072e+01 9.015416063e+01 9.077419228e+01 9.148081509e+01 9.132877789e+01 9.103145729e+01 9.755610469e+01 9.097898992e+01 9.057335594e+01 0.62 8.293464289e+01 8.480791919e+01 8.488185778e+01 8.794092118e+01 8.461863809e+01 8.623022673e+01 8.649706523e+01 8.575828011e+01 8.600960873e+01 8.667009392e+01 8.692398861e+01 8.625498767e+01 9.294977332e+01 8.659717504e+01 8.583226835e+01 0.64 7.845294464e+01 8.024109446e+01 8.031839762e+01 8.348098881e+01 8.006930835e+01 8.161802862e+01 8.187031195e+01 8.154087167e+01 8.142008172e+01 8.203538190e+01 8.268436654e+01 8.165343562e+01 8.850877833e+01 8.238074859e+01 8.126499651e+01 0.66 7.413880531e+01 7.584399893e+01 7.592473734e+01 7.918442197e+01 7.568942210e+01 7.717796614e+01 7.741584607e+01 7.749381683e+01 7.700194954e+01 7.757325972e+01 7.860393569e+01 7.722329014e+01 8.423052138e+01 7.832349882e+01 7.686791719e+01 0.68 6.998899634e+01 7.161347963e+01 7.169766770e+01 7.504820419e+01 7.147578796e+01 7.290645339e+01 7.313020809e+01 7.360959902e+01 7.275159334e+01 7.328031325e+01 7.467713049e+01 7.296106358e+01 8.011236615e+01 7.441965058e+01 7.263745115e+01 0.70 6.600028923e+01 6.754636705e+01 6.763396867e+01 7.106932433e+01 6.742520305e+01 6.879993750e+01 6.900995314e+01 6.988126734e+01 6.866543476e+01 6.915313354e+01 7.089876978e+01 6.886329044e+01 7.615164004e+01 7.066383804e+01 6.857006065e+01 0.72 6.216945558e+01 6.363947634e+01 6.373041026e+01 6.724477580e+01 6.353445381e+01 6.485489688e+01 6.505165036e+01 6.630240133e+01 6.473993367e+01 6.518831691e+01 6.726403117e+01 6.492652621e+01 7.234563578e+01 6.705107784e+01 6.466224691e+01 0.74 5.849326719e+01 5.988960847e+01 5.998375344e+01 6.357155588e+01 5.980031694e+01 6.106783944e+01 6.125188231e+01 6.286707640e+01 6.097158584e+01 6.138246491e+01 6.376842635e+01 6.114734626e+01 6.869161302e+01 6.357674303e+01 6.091054778e+01 0.76 5.496849607e+01 5.629355136e+01 5.639075091e+01 6.004666493e+01 5.621956017e+01 5.743530083e+01 5.760724434e+01 5.956983029e+01 5.735692077e+01 5.773218442e+01 6.040777681e+01 5.752234469e+01 6.518679972e+01 6.023653760e+01 5.731153530e+01 0.78 5.159191450e+01 5.284808098e+01 5.294814790e+01 5.666710576e+01 5.278894311e+01 5.395384289e+01 5.411434403e+01 5.640563074e+01 5.389249960e+01 5.423408759e+01 5.717819049e+01 5.404813331e+01 6.182839363e+01 5.702647202e+01 5.386181348e+01 0.80 4.836029505e+01 4.954996238e+01 4.965268300e+01 5.342988297e+01 4.950521804e+01 5.062005193e+01 5.076980065e+01 5.336984353e+01 5.057491298e+01 5.088479197e+01 5.407603898e+01 5.072134060e+01 5.861356368e+01 5.394283912e+01 5.055801613e+01 0.82 4.527041065e+01 4.639595081e+01 4.650108884e+01 5.033200226e+01 4.636513065e+01 4.743053727e+01 4.757024457e+01 5.045820203e+01 4.740077910e+01 4.768092040e+01 5.109793531e+01 4.753861065e+01 5.553945106e+01 5.098219085e+01 4.739680455e+01 0.84 4.231903462e+01 4.338279261e+01 4.349009288e+01 4.737046981e+01 4.336542079e+01 4.438192961e+01 4.451231675e+01 4.766677718e+01 4.436674168e+01 4.461910116e+01 4.824071268e+01 4.449660221e+01 5.260317056e+01 4.814131579e+01 4.437486562e+01 0.86 3.950294073e+01 4.050722628e+01 4.061641814e+01 4.454229170e+01 4.050282324e+01 4.147087964e+01 4.159266825e+01 4.499194874e+01 4.146946814e+01 4.169596798e+01 4.550140374e+01 4.159198782e+01 4.980181174e+01 4.541721725e+01 4.148890967e+01 0.88 3.681890319e+01 3.776598335e+01 3.787678381e+01 4.184447327e+01 3.777406832e+01 3.869405659e+01 3.880795971e+01 4.243037740e+01 3.870564777e+01 3.890815994e+01 4.287722035e+01 3.882145275e+01 4.713243983e+01 4.280709220e+01 3.873566857e+01 0.90 3.426369675e+01 3.515578934e+01 3.526790594e+01 3.927401861e+01 3.517588264e+01 3.604814687e+01 3.615486086e+01 3.997897764e+01 3.607198988e+01 3.625232164e+01 4.036553438e+01 3.618169423e+01 4.459209681e+01 4.030831080e+01 3.611189382e+01 0.92 3.183409670e+01 3.267336461e+01 3.278649813e+01 3.682792997e+01 3.270498972e+01 3.352985271e+01 3.363005010e+01 3.763489167e+01 3.356522221e+01 3.372510314e+01 3.796385893e+01 3.366942058e+01 4.217780224e+01 3.791839664e+01 3.361435476e+01 0.94 2.952687888e+01 3.031542523e+01 3.042927207e+01 3.450320720e+01 3.035811060e+01 3.113589091e+01 3.123021405e+01 3.539546438e+01 3.118208921e+01 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