# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Choi-W-M-Jo-Y-H-Sohn-S-S-et-al--Co-Ni-Cr-Fe-Mn # implementation = 2018--Choi-W-M--Co-Ni-Cr-Fe-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 2022-05-24 r Co Co Co Cr Co Fe Co Mn Co Ni Cr Cr Cr Fe Cr Mn Cr Ni Fe Fe Fe Mn Fe Ni Mn Mn Mn Ni Ni Ni 0.02 4.395167296e+02 1.524665690e+03 2.062818656e+03 2.548816363e+02 8.737304572e+02 3.773767911e+03 1.993898263e+03 1.319546422e+03 1.921254582e+03 1.093458968e+03 8.724719641e+02 7.835776251e+02 4.813139673e+02 7.503931282e+02 1.192811351e+03 0.04 4.168386496e+02 1.436811334e+03 1.936328987e+03 2.460096265e+02 8.253378018e+02 3.543057338e+03 1.876410651e+03 1.240043656e+03 1.803468604e+03 1.028796903e+03 8.234223450e+02 7.403032721e+02 4.544540812e+02 7.057821797e+02 1.123164102e+03 0.06 3.952506443e+02 1.353593126e+03 1.817182752e+03 2.370769194e+02 7.795044352e+02 3.326204123e+03 1.765167330e+03 1.164874589e+03 1.692595996e+03 9.682423746e+02 7.767380543e+02 6.990184724e+02 4.292684659e+02 6.637477923e+02 1.057435218e+03 0.08 3.747029435e+02 1.274820451e+03 1.705016082e+03 2.281699796e+02 7.360994924e+02 3.122318584e+03 1.659947654e+03 1.093876276e+03 1.588244282e+03 9.114399487e+02 7.323868597e+02 6.597065244e+02 4.056059492e+02 6.241522558e+02 9.954101019e+02 0.10 3.551479530e+02 1.200297980e+03 1.599468420e+03 2.193516256e+02 6.949985970e+02 2.930586669e+03 1.560510530e+03 1.026873668e+03 1.490042664e+03 8.580843702e+02 6.903138007e+02 6.223295445e+02 3.833373561e+02 5.868645413e+02 9.368856441e+02 0.12 3.365401630e+02 1.129829679e+03 1.500186825e+03 2.106673676e+02 6.560835494e+02 2.750259619e+03 1.466603768e+03 9.636856037e+02 1.397640855e+03 8.079109091e+02 6.504484465e+02 5.868357442e+02 3.623513930e+02 5.517599179e+02 8.816696208e+02 0.14 3.188360610e+02 1.063221667e+03 1.406828925e+03 2.021500140e+02 6.192420302e+02 2.580645581e+03 1.377970864e+03 9.041291550e+02 1.310707966e+03 7.606877386e+02 6.127103023e+02 5.531645161e+02 3.425513550e+02 5.187195999e+02 8.295801227e+02 0.16 3.019940469e+02 1.000284209e+03 1.319064854e+03 1.938230207e+02 5.843673170e+02 2.421102761e+03 1.294355882e+03 8.480227484e+02 1.228931461e+03 7.162099146e+02 5.770128122e+02 5.212499674e+02 3.238524890e+02 4.876304241e+02 7.804450126e+02 0.18 2.859743528e+02 9.408330698e+02 1.236578448e+03 1.857029271e+02 5.513580138e+02 2.271033813e+03 1.215506887e+03 7.951883534e+02 1.152016163e+03 6.742946138e+02 5.432662998e+02 4.910233570e+02 3.061798827e+02 4.583845555e+02 7.341014112e+02 0.20 2.707389651e+02 8.846903868e+02 1.159067886e+03 1.778011291e+02 5.201177940e+02 2.129881195e+03 1.141178324e+03 7.454529810e+02 1.079683311e+03 6.347773644e+02 5.113801087e+02 4.624147622e+02 2.894667721e+02 4.308792222e+02 6.903952093e+02 0.22 2.562515505e+02 8.316852017e+02 1.086245936e+03 1.701251720e+02 4.905551545e+02 1.997123306e+03 1.071132593e+03 6.986496694e+02 1.011669669e+03 5.975090553e+02 4.812641380e+02 4.353542076e+02 2.736531833e+02 4.050164761e+02 6.491806055e+02 0.24 2.424773844e+02 7.816537338e+02 1.017839910e+03 1.626796967e+02 4.625831817e+02 1.872271227e+03 1.005141053e+03 6.546180927e+02 9.477266871e+02 5.623535576e+02 4.528299279e+02 4.097724211e+02 2.586848416e+02 3.807029789e+02 6.103196675e+02 0.26 2.293832827e+02 7.344394737e+02 9.535914198e+02 1.554671334e+02 4.361193288e+02 1.754865959e+03 9.429845920e+02 6.132048924e+02 8.876196953e+02 5.291858263e+02 4.259914062e+02 3.856013326e+02 2.445122924e+02 3.578498107e+02 5.736819165e+02 0.28 2.169375362e+02 6.898931479e+02 8.932559907e+02 1.484882138e+02 4.110852024e+02 1.644476050e+03 8.844538928e+02 5.742638111e+02 8.311271531e+02 4.978903803e+02 4.006653849e+02 3.627743981e+02 2.310901930e+02 3.363722984e+02 5.391439328e+02 0.30 2.051098473e+02 6.478725941e+02 8.366025829e+02 1.417423517e+02 3.874063607e+02 1.540695534e+03 8.293494822e+02 5.376556831e+02 7.780399310e+02 4.683600770e+02 3.767718711e+02 3.412268077e+02 2.183767382e+02 3.161898627e+02 5.065889821e+02 0.32 1.938712704e+02 6.082425757e+02 7.834130554e+02 1.352279280e+02 3.650121195e+02 1.443142125e+03 7.774816204e+02 5.032483257e+02 7.281606331e+02 4.404951204e+02 3.542342422e+02 3.208956152e+02 2.063331942e+02 2.972258786e+02 4.759066609e+02 0.34 1.831941532e+02 5.708745573e+02 7.334815960e+02 1.289425070e+02 3.438353692e+02 1.351455616e+03 7.286700864e+02 4.709163620e+02 6.813029557e+02 4.142022508e+02 3.329793228e+02 3.017198194e+02 1.949235189e+02 2.794075485e+02 4.469925607e+02 0.36 1.730520819e+02 5.356464560e+02 6.866141373e+02 1.228830014e+02 3.238123988e+02 1.265296441e+03 6.827438924e+02 4.405409993e+02 6.372910802e+02 3.893940785e+02 3.129373893e+02 2.836404133e+02 1.841140494e+02 2.626657844e+02 4.197479499e+02 0.38 1.634198276e+02 5.024423795e+02 6.426277710e+02 1.170458014e+02 3.048827291e+02 1.184344390e+03 6.395409520e+02 4.120097785e+02 5.959590979e+02 3.659885299e+02 2.940421262e+02 2.666004146e+02 1.738732455e+02 2.469350964e+02 3.940794710e+02 0.40 1.542732953e+02 4.711523588e+02 6.013501694e+02 1.114268760e+02 2.869889538e+02 1.108297421e+03 5.989077222e+02 3.852163083e+02 5.571504664e+02 3.439083827e+02 2.762305457e+02 2.505448847e+02 1.641714757e+02 2.321534845e+02 3.698988555e+02 0.42 1.455894752e+02 4.416720819e+02 5.626190225e+02 1.060218548e+02 2.700765882e+02 1.036870588e+03 5.606988319e+02 3.600599915e+02 5.207174947e+02 3.230808719e+02 2.594428859e+02 2.354209413e+02 1.549808388e+02 2.182623336e+02 3.471226517e+02 0.44 1.373463958e+02 4.139026300e+02 5.262814919e+02 1.008260942e+02 2.540939243e+02 9.697950398e+02 5.247767069e+02 3.364457513e+02 4.865208561e+02 3.034373512e+02 2.436224922e+02 2.211777658e+02 1.462750130e+02 2.052063067e+02 3.256719686e+02 0.46 1.295230788e+02 3.877502216e+02 4.921936874e+02 9.583473226e+01 2.389918942e+02 9.068170978e+02 4.910111979e+02 3.142837599e+02 4.544291274e+02 2.849129995e+02 2.287156916e+02 2.077666069e+02 1.380291277e+02 1.929332382e+02 3.054722316e+02 0.48 1.220994962e+02 3.631259639e+02 4.602201651e+02 9.104273501e+01 2.247239388e+02 8.476973961e+02 4.592792156e+02 2.934891743e+02 4.243183524e+02 2.674465626e+02 2.146716617e+02 1.951407812e+02 1.302196532e+02 1.813940235e+02 2.864529518e+02 0.50 1.150565289e+02 3.399456134e+02 4.302334498e+02 8.644493518e+01 2.112458838e+02 7.922100776e+02 4.294643762e+02 2.739818800e+02 3.960716297e+02 2.509801246e+02 2.014422985e+02 1.832556687e+02 1.228243054e+02 1.705425061e+02 2.685475076e+02 0.52 1.083759272e+02 3.181293456e+02 4.021135806e+02 8.203606587e+01 1.985158205e+02 7.401420398e+02 4.014566599e+02 2.556862441e+02 3.695787222e+02 2.354589025e+02 1.889820863e+02 1.720687031e+02 1.158219612e+02 1.603353615e+02 2.516929370e+02 0.54 1.020402730e+02 2.976015313e+02 3.757476804e+02 7.781078935e+01 1.864939937e+02 6.912922277e+02 3.751520781e+02 2.385308741e+02 3.447356878e+02 2.208310604e+02 1.772479687e+02 1.615393563e+02 1.091925851e+02 1.507319770e+02 2.358297413e+02 0.56 9.603294339e+01 2.782905284e+02 3.510295473e+02 7.376372214e+01 1.751426937e+02 6.454709667e+02 3.504523615e+02 2.224483947e+02 3.214445299e+02 2.070475398e+02 1.661992249e+02 1.516291154e+02 1.029171628e+02 1.416943294e+02 2.209016993e+02 0.58 9.033807585e+01 2.601284890e+02 3.278592688e+02 6.988945693e+01 1.644261545e+02 6.024993353e+02 3.272646680e+02 2.073752399e+02 2.996128674e+02 1.940619038e+02 1.557973495e+02 1.423014536e+02 9.697764130e+01 1.331868601e+02 2.068556905e+02 0.60 8.494053490e+01 2.430511655e+02 3.061428573e+02 6.618258163e+01 1.543104566e+02 5.622085722e+02 3.055012938e+02 1.932514451e+02 2.791536220e+02 1.818301925e+02 1.460059368e+02 1.335217915e+02 9.135687494e+01 1.251763487e+02 1.936415286e+02 0.62 7.982588023e+01 2.269977316e+02 2.857919057e+02 6.263769618e+01 1.447634341e+02 5.244395269e+02 2.850794050e+02 1.800204553e+02 2.599847227e+02 1.703107892e+02 1.367905712e+02 1.252574527e+02 8.603857575e+01 1.176317861e+02 1.812118031e+02 0.64 7.498033609e+01 2.119106046e+02 2.667232618e+02 5.924942730e+01 1.357545872e+02 4.890421242e+02 2.659207742e+02 1.676289359e+02 2.420288264e+02 1.594642946e+02 1.281187214e+02 1.174776109e+02 8.100726779e+01 1.105242477e+02 1.695217293e+02 0.66 7.039076197e+01 1.977352719e+02 2.488587226e+02 5.601244145e+01 1.272549979e+02 4.558748491e+02 2.479515269e+02 1.560265880e+02 2.252130536e+02 1.492534099e+02 1.199596406e+02 1.101532306e+02 7.624824479e+01 1.038267684e+02 1.585290067e+02 0.68 6.604462457e+01 1.844201363e+02 2.321247444e+02 5.292145634e+01 1.192372506e+02 4.248042782e+02 2.311019103e+02 1.451659848e+02 2.094687385e+02 1.396428253e+02 1.122842711e+02 1.032570022e+02 7.174753079e+01 9.751421974e+01 1.481936841e+02 0.70 6.192997090e+01 1.719163670e+02 2.164521706e+02 4.997125112e+01 1.116753565e+02 3.957046330e+02 2.153060725e+02 1.350024133e+02 1.947311927e+02 1.305991168e+02 1.050651536e+02 9.676327103e+01 6.749184320e+01 9.156318966e+01 1.384780329e+02 0.72 5.803540260e+01 1.601777528e+02 2.017759744e+02 4.715667553e+01 1.045446814e+02 3.684573475e+02 2.005018479e+02 1.254937210e+02 1.809394824e+02 1.220906471e+02 9.827634188e+01 9.064796406e+01 6.346855828e+01 8.595186679e+01 1.293464261e+02 0.74 5.435005123e+01 1.491605775e+02 1.880350172e+02 4.447265809e+01 9.782187679e+01 3.429506882e+02 1.866305688e+02 1.166001840e+02 1.680362164e+02 1.140874729e+02 9.189332093e+01 8.488851207e+01 5.966567847e+01 8.065992896e+01 1.207652241e+02 0.76 5.086355476e+01 1.388234945e+02 1.751718198e+02 4.191421355e+01 9.148481535e+01 3.190793807e+02 1.736368795e+02 1.082843767e+02 1.559673473e+02 1.065612569e+02 8.589292998e+01 7.946377104e+01 5.607180171e+01 7.566843672e+01 1.127026669e+02 0.78 4.756603491e+01 1.291274029e+02 1.631323476e+02 3.947644971e+01 8.551252850e+01 2.967442476e+02 1.614685557e+02 1.005110428e+02 1.446819826e+02 9.948518385e+01 8.025328940e+01 7.435394247e+01 5.267609228e+01 7.095973239e+01 1.051287716e+02 0.80 4.444807560e+01 1.200353310e+02 1.518658081e+02 3.715457367e+01 7.988514767e+01 2.758518675e+02 1.500763344e+02 9.324697417e+01 1.341322063e+02 9.283388206e+01 7.495373142e+01 6.954049395e+01 4.946825328e+01 6.651734469e+01 9.801523555e+01 0.82 4.150070220e+01 1.115123307e+02 1.413244600e+02 3.494389766e+01 7.458384826e+01 2.563142640e+02 1.394137579e+02 8.646090269e+01 1.242729107e+02 8.658334790e+01 6.997473455e+01 6.500608087e+01 4.643850044e+01 6.232589932e+01 9.133534436e+01 0.84 3.871536177e+01 1.035253680e+02 1.314634331e+02 3.283984440e+01 6.959079639e+01 2.380485917e+02 1.294370168e+02 8.012338689e+01 1.150616370e+02 8.071087474e+01 6.529786149e+01 6.073447004e+01 4.357753732e+01 5.837103532e+01 8.506388542e+01 0.86 3.608390407e+01 9.604321521e+01 1.222405595e+02 3.083795212e+01 6.488909832e+01 2.209768330e+02 1.201047976e+02 7.420670240e+01 1.064584252e+02 7.519498535e+01 6.090570033e+01 5.671046578e+01 4.087653163e+01 5.463932737e+01 7.917706550e+01 0.88 3.359856346e+01 8.903635818e+01 1.136162134e+02 2.893387916e+01 6.046275232e+01 2.050255298e+02 1.113781472e+02 6.868474690e+01 9.842567161e+01 7.001536772e+01 5.678180888e+01 5.291983901e+01 3.832709286e+01 5.111821369e+01 7.365243296e+01 0.90 3.125194148e+01 8.247690741e+01 1.055531615e+02 2.712340819e+01 5.629660301e+01 1.901255284e+02 1.032203455e+02 6.353295021e+01 9.092799474e+01 6.515281415e+01 5.291066196e+01 4.934925987e+01 3.592125082e+01 4.779592962e+01 6.846880414e+01 0.92 2.903699033e+01 7.633851342e+01 9.801642097e+01 2.540244998e+01 5.237629789e+01 1.762117386e+02 9.559678224e+01 5.872818874e+01 8.393210859e+01 6.058916348e+01 4.927760153e+01 4.598623385e+01 3.365143533e+01 4.466144636e+01 6.360619366e+01 0.94 2.694699690e+01 7.059628028e+01 9.097312624e+01 2.376704676e+01 4.868824608e+01 1.632228924e+02 8.847483625e+01 5.424869834e+01 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