# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2022--Daramola-A-Bonny-G-Adjanor-G-et-al--Fe-Ni-Cr-Mn # implementation = 2022--Daramola-A--Fe-Ni-Cr-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 2024-11-27 r Ni Ni Cr Fe Cr Cr Fe Mn Cr Mn Fe Ni Mn Ni Fe Fe Cr Ni Mn Mn 0.02 1.659056788e+02 2.696551333e+02 2.803646675e+02 7.401706402e+02 7.249136027e+02 2.658277200e+02 7.029256183e+02 1.146579790e+02 2.669039410e+02 7.369028664e+02 0.04 1.659056788e+02 2.696551333e+02 2.803646675e+02 7.182714018e+02 7.035090849e+02 2.658277200e+02 6.821292244e+02 1.146579790e+02 2.669039410e+02 7.369028664e+02 0.06 1.659056788e+02 2.696551333e+02 2.803646675e+02 6.968096509e+02 6.825316037e+02 2.658277200e+02 6.617482662e+02 1.146579790e+02 2.669039410e+02 7.369028664e+02 0.08 1.659056788e+02 2.696551333e+02 2.803646675e+02 6.757809621e+02 6.619768428e+02 2.658277200e+02 6.417785416e+02 1.146579790e+02 2.669039410e+02 7.369028664e+02 0.10 1.659056788e+02 2.696551333e+02 2.803646675e+02 6.529588872e+02 6.404670855e+02 2.658277200e+02 6.195261749e+02 1.146579790e+02 2.669039410e+02 7.352198515e+02 0.12 1.659056788e+02 2.696551333e+02 2.803646675e+02 6.328986876e+02 6.205438720e+02 2.658277200e+02 6.000948193e+02 1.146579790e+02 2.669039410e+02 7.124373342e+02 0.14 1.659056788e+02 2.696551333e+02 2.803646675e+02 6.131358961e+02 6.012278373e+02 2.658277200e+02 5.813322756e+02 1.146579790e+02 2.669039410e+02 6.902181049e+02 0.16 1.659056788e+02 2.696551333e+02 2.803646675e+02 5.937894750e+02 5.823174938e+02 2.658277200e+02 5.629642256e+02 1.146579790e+02 2.669039410e+02 6.684660292e+02 0.18 1.659056788e+02 2.696551333e+02 2.803646675e+02 5.748548913e+02 5.638085197e+02 2.658277200e+02 5.449864646e+02 1.146579790e+02 2.669039410e+02 6.471761335e+02 0.20 1.659056788e+02 2.696551333e+02 2.803646675e+02 5.563276191e+02 5.456965935e+02 2.658277200e+02 5.273947887e+02 1.146579790e+02 2.669039410e+02 6.263434441e+02 0.22 1.659056788e+02 2.696551333e+02 2.803646675e+02 5.382031398e+02 5.279773941e+02 2.658277200e+02 5.101849946e+02 1.146579790e+02 2.669039410e+02 6.059629876e+02 0.24 1.659056788e+02 2.696551333e+02 2.803646675e+02 5.204769411e+02 5.106466007e+02 2.658277200e+02 4.933528797e+02 1.146579790e+02 2.669039410e+02 5.860297902e+02 0.26 1.659056788e+02 2.696551333e+02 2.803646675e+02 5.031445170e+02 4.936998928e+02 2.658277200e+02 4.768942421e+02 1.146579790e+02 2.669039410e+02 5.665388783e+02 0.28 1.659056788e+02 2.696551333e+02 2.803646675e+02 4.862013675e+02 4.771329503e+02 2.658277200e+02 4.608048803e+02 1.146579790e+02 2.669039410e+02 5.474852785e+02 0.30 1.659056788e+02 2.696551333e+02 2.803646675e+02 4.696429983e+02 4.609414533e+02 2.658277200e+02 4.450805935e+02 1.146579790e+02 2.669039410e+02 5.288640169e+02 0.32 1.659056788e+02 2.696551333e+02 2.803646675e+02 4.534649205e+02 4.451210821e+02 2.658277200e+02 4.297171815e+02 1.146579790e+02 2.669039410e+02 5.106701200e+02 0.34 1.659056788e+02 2.696551333e+02 2.803646675e+02 4.376626502e+02 4.296675174e+02 2.658277200e+02 4.147104444e+02 1.146579790e+02 2.669039410e+02 4.928986142e+02 0.36 1.659056788e+02 2.696551333e+02 2.803646675e+02 4.222317084e+02 4.145764400e+02 2.658277200e+02 4.000561828e+02 1.146579790e+02 2.669039410e+02 4.755445259e+02 0.38 1.659056788e+02 2.696551333e+02 2.803646675e+02 4.071676208e+02 3.998435311e+02 2.658277200e+02 3.857501977e+02 1.146579790e+02 2.669039410e+02 4.586028814e+02 0.40 1.659056788e+02 2.696551333e+02 2.803646675e+02 3.924659173e+02 3.854644719e+02 2.658277200e+02 3.717882903e+02 1.146579790e+02 2.669039410e+02 4.420687071e+02 0.42 1.659056788e+02 2.696551333e+02 2.803646675e+02 3.781221321e+02 3.714349438e+02 2.658277200e+02 3.581662626e+02 1.146579790e+02 2.669039410e+02 4.259370294e+02 0.44 1.659056788e+02 2.696551333e+02 2.803646675e+02 3.641318033e+02 3.577506286e+02 2.658277200e+02 3.448799163e+02 1.146579790e+02 2.669039410e+02 4.102028747e+02 0.46 1.659056788e+02 2.696551333e+02 2.803646675e+02 3.504904725e+02 3.444072082e+02 2.658277200e+02 3.319250540e+02 1.146579790e+02 2.669039410e+02 3.948612692e+02 0.48 1.659056788e+02 2.696551333e+02 2.803646675e+02 3.371936850e+02 3.314003644e+02 2.658277200e+02 3.192974781e+02 1.146579790e+02 2.669039410e+02 3.799072395e+02 0.50 5.826509478e+02 2.973483297e+03 5.716811211e+02 3.266563216e+02 3.217723500e+02 2.093401091e+03 3.094135323e+02 3.350622161e+03 7.012790899e+02 3.653358118e+02 0.52 4.325698670e+03 1.935932667e+04 2.307640345e+03 3.205494489e+02 3.167515955e+02 1.751284029e+04 3.039437289e+02 3.047323409e+04 3.604927718e+03 3.511420125e+02 0.54 3.805167821e+03 1.712098104e+04 2.064145051e+03 3.073755981e+02 3.037369575e+02 1.534879529e+04 2.913886277e+02 2.669706015e+04 3.196509888e+03 3.373208680e+02 0.56 3.330793847e+03 1.508460704e+04 1.841779202e+03 2.946085188e+02 2.911313830e+02 1.338000364e+04 2.792240597e+02 2.326154772e+04 2.824422417e+03 3.238674045e+02 0.58 2.897471198e+03 1.322772355e+04 1.638224731e+03 2.822348547e+02 2.789205528e+02 1.158473264e+04 2.674369100e+02 2.012877951e+04 2.484642695e+03 3.107766486e+02 0.60 2.500788237e+03 1.153090746e+04 1.451478265e+03 2.702424649e+02 2.670915086e+02 9.944205829e+03 2.560152771e+02 1.726599606e+04 2.173694904e+03 2.980436265e+02 0.62 2.136914782e+03 9.977298252e+03 1.279800124e+03 2.586202274e+02 2.556324324e+02 8.442123969e+03 2.449482764e+02 1.464475995e+04 1.888561406e+03 2.856633646e+02 0.64 1.802510772e+03 8.552195339e+03 1.121672901e+03 2.473578789e+02 2.445324675e+02 7.064275866e+03 2.342258805e+02 1.224027680e+04 1.626610773e+03 2.736308892e+02 0.66 1.494651545e+03 7.242728846e+03 9.757675796e+02 2.364458845e+02 2.337815718e+02 5.798220068e+03 2.238387881e+02 1.003083993e+04 1.385538906e+03 2.619412267e+02 0.68 1.210766331e+03 6.037588503e+03 8.409156299e+02 2.258753299e+02 2.233703971e+02 4.633022799e+03 2.137783170e+02 7.997373147e+03 1.163320567e+03 2.505894033e+02 0.70 9.503993710e+02 4.927164178e+03 7.160859080e+02 2.156380668e+02 2.132901897e+02 3.566355178e+03 2.040365434e+02 6.136164892e+03 9.585246980e+02 2.395704456e+02 0.72 7.435873351e+02 3.908929767e+03 6.003654041e+02 2.057306106e+02 2.035327063e+02 2.718741759e+03 1.946102017e+02 4.658711481e+03 7.758610278e+02 2.288793797e+02 0.74 5.884988118e+02 3.004049130e+03 4.961753070e+02 1.961464838e+02 1.940912104e+02 2.082659418e+03 1.854930606e+02 3.551057711e+03 6.180475176e+02 2.185112321e+02 0.76 4.716514874e+02 2.308565236e+03 4.145187079e+02 1.868777445e+02 1.849627005e+02 1.603707186e+03 1.766774041e+02 2.718094478e+03 4.964305053e+02 2.084610290e+02 0.78 3.831635472e+02 1.782539947e+03 3.511720160e+02 1.779168412e+02 1.761399172e+02 1.241885973e+03 1.681559055e+02 2.089880764e+03 4.036461226e+02 1.987237968e+02 0.80 3.157655323e+02 1.383425353e+03 3.015664536e+02 1.692565626e+02 1.676153859e+02 9.676649506e+02 1.599215773e+02 1.614771966e+03 3.324167165e+02 1.892945619e+02 0.82 2.640918884e+02 1.079659069e+03 2.623163130e+02 1.608899948e+02 1.593819663e+02 7.591582979e+02 1.519677282e+02 1.254487441e+03 2.773560557e+02 1.801683504e+02 0.84 2.241704080e+02 8.477416595e+02 2.309035885e+02 1.528104849e+02 1.514328119e+02 6.000881354e+02 1.442879267e+02 9.805511740e+02 2.344640396e+02 1.713401889e+02 0.86 1.930525072e+02 6.701165994e+02 2.054493037e+02 1.450116096e+02 1.437613345e+02 4.783073527e+02 1.368759704e+02 7.717104337e+02 2.007605085e+02 1.628051035e+02 0.88 1.685442700e+02 5.336250925e+02 1.845469205e+02 1.374871480e+02 1.363611737e+02 3.847234031e+02 1.297258579e+02 6.120548566e+02 1.740186292e+02 1.545581207e+02 0.90 1.490099686e+02 4.283748173e+02 1.671404402e+02 1.302310582e+02 1.292261706e+02 3.125107435e+02 1.228317666e+02 4.896398078e+02 1.525699323e+02 1.465942666e+02 0.92 1.332279580e+02 3.469082120e+02 1.524348341e+02 1.232374573e+02 1.223503449e+02 2.565320918e+02 1.161880316e+02 3.954745881e+02 1.351611613e+02 1.389085677e+02 0.94 1.202845939e+02 2.835885358e+02 1.398299710e+02 1.165006035e+02 1.157278755e+02 2.129114583e+02 1.097891286e+02 3.227758515e+02 1.208487590e+02 1.314960502e+02 0.96 1.094958722e+02 2.341449709e+02 1.288716978e+02 1.100148806e+02 1.093530823e+02 1.787179750e+02 1.036296585e+02 2.664146585e+02 1.089208150e+02 1.243517404e+02 0.98 1.003493608e+02 1.953343608e+02 1.192154939e+02 1.037747847e+02 1.032204121e+02 1.517309528e+02 9.770433377e+01 2.225055027e+02 9.883913020e+01 1.174706647e+02 1.00 9.246104318e+01 1.646888287e+02 1.105993789e+02 9.777491249e+01 9.732442425e+01 1.302647203e+02 9.200796668e+01 1.880998441e+02 9.019607933e+01 1.108478494e+02 1.02 8.554315586e+01 1.403268710e+02 1.028236565e+02 9.200995035e+01 9.165977982e+01 1.130376279e+02 8.653545907e+01 1.609568609e+02 8.268239393e+01 1.044783206e+02 1.04 7.938016196e+01 1.208115357e+02 9.573572542e+01 8.647466557e+01 8.622123070e+01 9.907379475e+01 8.128179313e+01 1.393714601e+02 7.606303670e+01 9.835710481e+01 1.06 7.381076178e+01 1.050436462e+02 8.921865937e+01 8.116389808e+01 8.100361073e+01 8.762921324e+01 7.624202328e+01 1.220448897e+02 7.015908791e+01 9.247922822e+01 1.08 6.871439742e+01 9.218119551e+01 8.318259970e+01 7.607255324e+01 7.600182753e+01 7.813603009e+01 7.141126906e+01 1.079871502e+02 6.483411361e+01 8.683971714e+01 1.10 6.400111144e+01 8.157834237e+01 7.755825244e+01 7.119559545e+01 7.121085536e+01 7.016043241e+01 6.678470875e+01 9.644321153e+01 5.998388460e+01 8.143359784e+01 1.12 5.960391480e+01 7.273913366e+01 7.229196507e+01 6.652804246e+01 6.662572870e+01 6.337074642e+01 6.235757368e+01 8.683710584e+01 5.552860703e+01 7.625589661e+01 1.14 5.547303686e+01 6.528231991e+01 6.734199182e+01 6.206496030e+01 6.224153658e+01 5.751322257e+01 5.812514324e+01 7.872947570e+01 5.140704062e+01 7.130163971e+01 1.16 5.157158933e+01 5.891454958e+01 6.267565565e+01 5.780145871e+01 5.805341747e+01 5.239362039e+01 5.408274035e+01 7.178527974e+01 4.757203891e+01 6.656585343e+01 1.18 4.787229509e+01 5.340990748e+01 5.826718817e+01 5.373268711e+01 5.405655474e+01 4.786318012e+01 5.022572742e+01 6.574918242e+01 4.398716304e+01 6.204356403e+01 1.20 4.435501979e+01 4.859426812e+01 5.409608335e+01 4.985383095e+01 5.024617260e+01 4.380791951e+01 4.654950278e+01 6.042677073e+01 4.062410759e+01 5.772979778e+01 1.22 4.100490982e+01 4.433331145e+01 5.014584133e+01 4.616010842e+01 4.661753240e+01 4.014045648e+01 4.304949737e+01 5.567019869e+01 3.746074198e+01 5.361958093e+01 1.24 3.781098874e+01 4.052333015e+01 4.640300886e+01 4.264676753e+01 4.316592933e+01 3.679375424e+01 3.972117188e+01 5.136720301e+01 3.447961922e+01 4.970793975e+01 1.26 3.476510058e+01 3.708416890e+01 4.285644606e+01 3.930908345e+01 3.988668951e+01 3.371633208e+01 3.656001411e+01 4.743269011e+01 3.166683981e+01 4.598990049e+01 1.28 3.186111593e+01 3.395379477e+01 3.949676561e+01 3.614235611e+01 3.677516725e+01 3.086859554e+01 3.356153658e+01 4.380228761e+01 2.901118622e+01 4.246048939e+01 1.30 2.909433702e+01 3.108411781e+01 3.631590390e+01 3.314190806e+01 3.382674267e+01 2.822002266e+01 3.072127442e+01 4.042739915e+01 2.650346354e+01 3.911473271e+01 1.32 2.646105354e+01 2.843777119e+01 3.330679312e+01 3.030308249e+01 3.103681948e+01 2.574700587e+01 2.803478341e+01 3.727141092e+01 2.413599738e+01 3.594765668e+01 1.34 2.395821263e+01 2.598562902e+01 3.046311054e+01 2.762124146e+01 2.840082302e+01 2.343119664e+01 2.549763827e+01 3.430678173e+01 2.190225187e+01 3.295428755e+01 1.36 2.158317528e+01 2.370489196e+01 2.777908722e+01 2.509176432e+01 2.591419847e+01 2.125823589e+01 2.310543100e+01 3.151281161e+01 1.979653936e+01 3.012965154e+01 1.38 1.933353792e+01 2.157761039e+01 2.524936199e+01 2.271004621e+01 2.357240920e+01 1.921678085e+01 2.085376949e+01 2.887393184e+01 1.781380029e+01 2.746877488e+01 1.40 1.720700334e+01 1.958954503e+01 2.286887044e+01 2.047149675e+01 2.137093528e+01 1.729775969e+01 1.873827621e+01 2.637839603e+01 1.594943647e+01 2.496668380e+01 1.42 1.520128853e+01 1.772928823e+01 2.063276058e+01 1.837153886e+01 1.930527214e+01 1.549380131e+01 1.675458699e+01 2.401727970e+01 1.419918539e+01 2.261840452e+01 1.44 1.331406036e+01 1.598758647e+01 1.853632910e+01 1.640560761e+01 1.737092934e+01 1.379879996e+01 1.489834994e+01 2.178371736e+01 1.255902563e+01 2.041896326e+01 1.46 1.154289191e+01 1.435681865e+01 1.657497335e+01 1.456914923e+01 1.556342946e+01 1.220758335e+01 1.316522446e+01 1.967232228e+01 1.102510622e+01 1.836338621e+01 1.48 9.885234224e+00 1.283059457e+01 1.474415537e+01 1.285762023e+01 1.387830703e+01 1.071566063e+01 1.155088036e+01 1.767874684e+01 9.593693944e+00 1.644669960e+01 1.50 8.338399281e+00 1.140344661e+01 1.303937520e+01 1.126648650e+01 1.231110764e+01 9.319031397e+00 1.005099698e+01 1.579935089e+01 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