# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--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 Al Al Al Co Al Cr Al Fe Al Ni Co Co Co Cr Co Fe Co Ni Cr Cr Cr Fe Cr Ni Fe Fe Fe Ni Ni Ni 0.02 1.155342780e+01 2.508638471e+02 2.597066389e+02 2.471378885e+02 2.580593132e+02 3.113014902e+02 3.164359521e+02 3.131231833e+02 3.155752290e+02 3.213379396e+02 3.149858246e+02 3.203640084e+02 3.128775066e+02 3.140136817e+02 3.193867276e+02 0.04 1.142002915e+01 2.420393318e+02 2.506246146e+02 2.383368115e+02 2.490214259e+02 3.002937383e+02 3.052995132e+02 3.022971572e+02 3.044681897e+02 3.100264280e+02 3.038578469e+02 3.090810086e+02 3.025946022e+02 3.029022754e+02 3.081312186e+02 0.06 1.128780263e+01 2.334259822e+02 2.417581913e+02 2.297515412e+02 2.401985897e+02 2.895501407e+02 2.944290389e+02 2.917319823e+02 2.936263566e+02 2.989842708e+02 2.929909823e+02 2.980666957e+02 2.925256992e+02 2.920508542e+02 2.971437234e+02 0.08 1.115672390e+01 2.250212505e+02 2.331048430e+02 2.213810689e+02 2.315883310e+02 2.790674958e+02 2.838212053e+02 2.814240365e+02 2.830464315e+02 2.882081828e+02 2.823818580e+02 2.873177869e+02 2.826703568e+02 2.814561844e+02 2.864209673e+02 0.10 1.102676760e+01 2.168225866e+02 2.246620395e+02 2.132242363e+02 2.231881632e+02 2.688426001e+02 2.734726964e+02 2.713697347e+02 2.727251232e+02 2.776948794e+02 2.720271285e+02 2.768310008e+02 2.730280159e+02 2.711150505e+02 2.759596772e+02 0.12 1.089790711e+01 2.088274377e+02 2.164272568e+02 2.052797410e+02 2.149955878e+02 2.588722480e+02 2.633802038e+02 2.615655277e+02 2.626591469e+02 2.674410772e+02 2.619234747e+02 2.666030577e+02 2.635980035e+02 2.610242549e+02 2.657565823e+02 0.14 1.077011492e+01 2.010332487e+02 2.083979646e+02 1.975461417e+02 2.070080947e+02 2.491532323e+02 2.535404263e+02 2.520079002e+02 2.528452243e+02 2.574434936e+02 2.520676026e+02 2.566306795e+02 2.543795357e+02 2.511806164e+02 2.558084135e+02 0.16 1.064336249e+01 1.934374621e+02 2.005716236e+02 1.900218638e+02 1.992231624e+02 2.396823439e+02 2.439500697e+02 2.426933701e+02 2.432800978e+02 2.476988469e+02 2.424562425e+02 2.469106229e+02 2.453717219e+02 2.415816921e+02 2.461120027e+02 0.18 1.051762042e+01 1.860375185e+02 1.929456861e+02 1.827052047e+02 1.916382587e+02 2.304563719e+02 2.346058468e+02 2.336184871e+02 2.339605755e+02 2.382038562e+02 2.330861477e+02 2.374397810e+02 2.365735680e+02 2.322279833e+02 2.366645858e+02 0.20 1.039285841e+01 1.788308563e+02 1.855175963e+02 1.755943386e+02 1.842508411e+02 2.214721043e+02 2.255044769e+02 2.247798312e+02 2.248834802e+02 2.289552420e+02 2.239540937e+02 2.282150683e+02 2.279839798e+02 2.231204366e+02 2.274634593e+02 0.22 1.026904545e+01 1.718149118e+02 1.782847902e+02 1.686873225e+02 1.770583576e+02 2.127263273e+02 2.166426856e+02 2.161740118e+02 2.160456316e+02 2.199497262e+02 2.150568856e+02 2.192333829e+02 2.196017668e+02 2.142596068e+02 2.185058662e+02 0.24 1.014614978e+01 1.649871196e+02 1.712446969e+02 1.619821002e+02 1.700582466e+02 2.042158257e+02 2.080172350e+02 2.077976661e+02 2.074438469e+02 2.111841675e+02 2.063928227e+02 2.104917074e+02 2.114256451e+02 2.056456724e+02 2.097889973e+02 0.26 1.002413898e+01 1.583449124e+02 1.643947381e+02 1.554765078e+02 1.632479377e+02 1.959373830e+02 1.996249529e+02 1.996474582e+02 1.990749403e+02 2.026556965e+02 1.979631635e+02 2.019872108e+02 2.034542410e+02 1.972784512e+02 2.013099940e+02 0.28 9.902980025e+00 1.518857213e+02 1.577323289e+02 1.491682790e+02 1.566248520e+02 1.878877814e+02 1.914626716e+02 1.917200778e+02 1.909357240e+02 1.943614396e+02 1.897691261e+02 1.937170428e+02 1.956860939e+02 1.891574156e+02 1.930659504e+02 0.30 9.782639353e+00 1.456069756e+02 1.512548780e+02 1.430550489e+02 1.501864025e+02 1.800638019e+02 1.835272190e+02 1.840122389e+02 1.830230074e+02 1.862984810e+02 1.818114778e+02 1.856783069e+02 1.881196596e+02 1.812817071e+02 1.850539146e+02 0.32 9.663082906e+00 1.395061034e+02 1.449597882e+02 1.371343594e+02 1.439299948e+02 1.724622247e+02 1.758154195e+02 1.765206789e+02 1.753335980e+02 1.784638646e+02 1.740905542e+02 1.778680623e+02 1.807533133e+02 1.736501512e+02 1.772708924e+02 0.34 9.544276196e+00 1.335805310e+02 1.388444564e+02 1.314036639e+02 1.378530273e+02 1.650798285e+02 1.683240930e+02 1.692421575e+02 1.678643007e+02 1.708545959e+02 1.666062786e+02 1.702833257e+02 1.735853524e+02 1.662612720e+02 1.697138475e+02 0.36 9.426184350e+00 1.278276837e+02 1.329062745e+02 1.258603316e+02 1.319528913e+02 1.579133913e+02 1.610500563e+02 1.621734552e+02 1.606119187e+02 1.634676439e+02 1.593581801e+02 1.629210735e+02 1.666140000e+02 1.591133059e+02 1.623797048e+02 0.38 9.308772168e+00 1.222449853e+02 1.271426291e+02 1.205016519e+02 1.262269723e+02 1.509596904e+02 1.539901225e+02 1.553113727e+02 1.535732532e+02 1.562999429e+02 1.523454120e+02 1.557782440e+02 1.598374067e+02 1.522042159e+02 1.552653520e+02 0.40 9.192004169e+00 1.168298586e+02 1.215509022e+02 1.153248391e+02 1.206726493e+02 1.442155019e+02 1.471411015e+02 1.486527295e+02 1.467451035e+02 1.493483940e+02 1.455667699e+02 1.488517388e+02 1.532536545e+02 1.455317050e+02 1.483676411e+02 0.42 9.075844904e+00 1.115797253e+02 1.161284713e+02 1.103270307e+02 1.152872956e+02 1.376776013e+02 1.404997999e+02 1.421943629e+02 1.401242672e+02 1.426098670e+02 1.390207090e+02 1.421384251e+02 1.468607585e+02 1.390932297e+02 1.416833909e+02 0.44 8.960295693e+00 1.064920244e+02 1.108726839e+02 1.055044785e+02 1.100682362e+02 1.313427635e+02 1.340630216e+02 1.359331272e+02 1.337075401e+02 1.360812022e+02 1.327053616e+02 1.356351375e+02 1.406566702e+02 1.328860132e+02 1.352093885e+02 0.46 8.845426519e+00 1.015642278e+02 1.057808355e+02 1.008518437e+02 1.050127106e+02 1.252077627e+02 1.278275676e+02 1.298658925e+02 1.274917168e+02 1.297592116e+02 1.266185538e+02 1.293386798e+02 1.346392799e+02 1.269070582e+02 1.289423914e+02 0.48 8.731303228e+00 9.679380496e+01 1.008502211e+02 9.636382067e+01 1.001179589e+02 1.192693728e+02 1.217902364e+02 1.239895437e+02 1.214735902e+02 1.236406810e+02 1.207578224e+02 1.232458267e+02 1.288064189e+02 1.211531595e+02 1.228791289e+02 0.50 8.617978409e+00 9.217821744e+01 9.607814184e+01 9.203534177e+01 9.538124179e+01 1.135243665e+02 1.159478235e+02 1.183009796e+02 1.156499613e+02 1.177223712e+02 1.151204309e+02 1.173533121e+02 1.231558623e+02 1.156204887e+02 1.170162592e+02 0.52 8.505492190e+00 8.771492044e+01 9.146190450e+01 8.786156624e+01 9.079991619e+01 1.079695170e+02 1.102971229e+02 1.127971118e+02 1.100177143e+02 1.120010199e+02 1.097033854e+02 1.116577250e+02 1.176853306e+02 1.103012551e+02 1.113500173e+02 0.54 8.393872891e+00 8.340136234e+01 8.699882174e+01 8.383786965e+01 8.637138240e+01 1.026015964e+02 1.048349259e+02 1.074748643e+02 1.045737646e+02 1.064733431e+02 1.045034507e+02 1.061555846e+02 1.123924932e+02 1.051860318e+02 1.058764612e+02 0.56 8.283137790e+00 7.923498553e+01 8.268621417e+01 7.995983268e+01 8.209303382e+01 9.741737701e+01 9.955802444e+01 1.023311718e+02 9.931500989e+01 1.011360286e+02 9.951704622e+01 1.008434051e+02 1.072749693e+02 1.002659860e+02 1.005917072e+02 0.58 8.173293727e+00 7.521322675e+01 7.852147811e+01 7.622323090e+01 7.796225678e+01 9.241363055e+01 9.446327812e+01 9.736297946e+01 9.423833043e+01 9.598554976e+01 9.473727099e+01 9.571753944e+01 1.023303310e+02 9.553287004e+01 9.549192917e+01 0.60 8.064337838e+00 7.133351730e+01 7.450207928e+01 7.262402464e+01 7.397643135e+01 8.758712867e+01 8.954760833e+01 9.256724159e+01 8.934059025e+01 9.101818125e+01 9.015416065e+01 9.077419228e+01 9.755610468e+01 9.097898990e+01 9.057335594e+01 0.62 7.956258157e+00 6.759328359e+01 7.062547249e+01 6.915834875e+01 7.013293172e+01 8.293464289e+01 8.480791919e+01 8.794092118e+01 8.461863809e+01 8.623022672e+01 8.575828008e+01 8.600960872e+01 9.294977332e+01 8.659717503e+01 8.583226835e+01 0.64 7.849034277e+00 6.398994737e+01 6.688909829e+01 6.582250302e+01 6.642912671e+01 7.845294464e+01 8.024109446e+01 8.348098882e+01 8.006930836e+01 8.161802863e+01 8.154087169e+01 8.142008172e+01 8.850877833e+01 8.238074862e+01 8.126499651e+01 0.66 7.742637975e+00 6.052092616e+01 6.329038395e+01 6.261294249e+01 6.286238035e+01 7.413880530e+01 7.584399893e+01 7.918442196e+01 7.568942209e+01 7.717796614e+01 7.749381683e+01 7.700194954e+01 8.423052138e+01 7.832349881e+01 7.686791718e+01 0.68 7.637033778e+00 5.718363358e+01 5.982674450e+01 5.952626816e+01 5.943005230e+01 6.998899635e+01 7.161347963e+01 7.504820419e+01 7.147578797e+01 7.290645339e+01 7.360959900e+01 7.275159334e+01 8.011236614e+01 7.441965057e+01 7.263745115e+01 0.70 7.532179615e+00 5.397547962e+01 5.649558365e+01 5.655921805e+01 5.612949840e+01 6.600028923e+01 6.754636705e+01 7.106932432e+01 6.742520305e+01 6.879993750e+01 6.988126736e+01 6.866543477e+01 7.615164003e+01 7.066383805e+01 6.857006065e+01 0.72 7.428027361e+00 5.089387106e+01 5.329429472e+01 5.370865818e+01 5.295807106e+01 6.216945557e+01 6.363947634e+01 6.724477580e+01 6.353445381e+01 6.485489688e+01 6.630240133e+01 6.473993367e+01 7.234563578e+01 6.705107783e+01 6.466224690e+01 0.74 7.324523366e+00 4.793621171e+01 5.022026154e+01 5.097157389e+01 4.991311980e+01 5.849326719e+01 5.988960847e+01 6.357155587e+01 5.980031694e+01 6.106783944e+01 6.286707637e+01 6.097158584e+01 6.869161301e+01 6.357674302e+01 6.091054778e+01 0.76 7.221609084e+00 4.509990277e+01 4.727085936e+01 4.834506169e+01 4.699199159e+01 5.496849607e+01 5.629355136e+01 6.004666493e+01 5.621956017e+01 5.743530083e+01 5.956983030e+01 5.735692077e+01 6.518679972e+01 6.023653759e+01 5.731153529e+01 0.78 7.119221518e+00 4.238234309e+01 4.444345569e+01 4.582632086e+01 4.419203139e+01 5.159191450e+01 5.284808098e+01 5.666710576e+01 5.278894311e+01 5.395384290e+01 5.640563075e+01 5.389249960e+01 6.182839363e+01 5.702647202e+01 5.386181348e+01 0.80 7.017293790e+00 3.978092947e+01 4.173541110e+01 4.341264558e+01 4.151058250e+01 4.836029504e+01 4.954996238e+01 5.342988297e+01 4.950521804e+01 5.062005194e+01 5.336984355e+01 5.057491299e+01 5.861356367e+01 5.394283915e+01 5.055801614e+01 0.82 6.915755648e+00 3.729305703e+01 3.914408011e+01 4.110141731e+01 3.894498696e+01 4.527041066e+01 4.639595082e+01 5.033200226e+01 4.636513065e+01 4.743053728e+01 5.045820205e+01 4.740077910e+01 5.553945104e+01 5.098219085e+01 4.739680455e+01 0.84 6.814533893e+00 3.491611930e+01 3.666681186e+01 3.889009714e+01 3.649258598e+01 4.231903464e+01 4.338279262e+01 4.737046981e+01 4.336542080e+01 4.438192961e+01 4.766677717e+01 4.436674167e+01 5.260317057e+01 4.814131578e+01 4.437486562e+01 0.86 6.713552923e+00 3.264750866e+01 3.430095099e+01 3.677621871e+01 3.415072029e+01 3.950294073e+01 4.050722628e+01 4.454229169e+01 4.050282324e+01 4.147087965e+01 4.499194876e+01 4.146946815e+01 4.980181174e+01 4.541721725e+01 4.148890967e+01 0.88 6.612735151e+00 3.048461654e+01 3.204383825e+01 3.475738106e+01 3.191673054e+01 3.681890321e+01 3.776598335e+01 4.184447326e+01 3.777406832e+01 3.869405660e+01 4.243037740e+01 3.870564777e+01 4.713243983e+01 4.280709220e+01 3.873566857e+01 0.90 6.512001430e+00 2.842483361e+01 2.989281131e+01 3.283124188e+01 2.978795759e+01 3.426369676e+01 3.515578934e+01 3.927401861e+01 3.517588264e+01 3.604814686e+01 3.997897763e+01 3.607198988e+01 4.459209681e+01 4.030831080e+01 3.611189382e+01 0.92 6.411271550e+00 2.646555014e+01 2.784520541e+01 3.099551103e+01 2.776174294e+01 3.183409670e+01 3.267336461e+01 3.682792996e+01 3.270498972e+01 3.352985271e+01 3.763489167e+01 3.356522222e+01 4.217780222e+01 3.791839664e+01 3.361435476e+01 0.94 6.310464560e+00 2.460415610e+01 2.589835401e+01 2.924794405e+01 2.583542898e+01 2.952687886e+01 3.031542522e+01 3.450320722e+01 3.035811059e+01 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