# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-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 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 -1.169521322e+46 -1.297334519e+46 -1.279117707e+46 -1.561195091e+46 -1.153182706e+46 -1.437546024e+46 -1.417838187e+46 -1.722147001e+46 -1.279455872e+46 -1.398255006e+46 -1.700902517e+46 -1.261415346e+46 -2.025032825e+46 -1.540900215e+46 -1.137033964e+46 0.04 -2.557254422e+46 -2.836728473e+46 -2.796895919e+46 -3.413681284e+46 -2.521528697e+46 -3.143312446e+46 -3.100219642e+46 -3.765615856e+46 -2.797635344e+46 -3.057399407e+46 -3.719163047e+46 -2.758188252e+46 -4.427900584e+46 -3.369304871e+46 -2.486218146e+46 0.06 -8.537652218e+45 -9.470704569e+45 -9.337719563e+45 -1.139691981e+46 -8.418378275e+45 -1.049426613e+46 -1.035039645e+46 -1.257188893e+46 -9.340188208e+45 -1.020743677e+46 -1.241680154e+46 -9.208490107e+45 -1.478299340e+46 -1.124876467e+46 -8.300490433e+45 0.08 6.595620526e+45 7.316434525e+45 7.213699181e+45 8.804499917e+45 6.503477434e+45 8.107169903e+45 7.996025787e+45 9.712202671e+45 7.215606292e+45 7.885584676e+45 9.592392497e+45 7.113865125e+45 1.142035447e+46 8.690045141e+45 6.412405153e+45 0.10 -1.762799460e+45 -1.955450102e+45 -1.927992214e+45 -2.353162623e+45 -1.738172544e+45 -2.166788503e+45 -2.137083218e+45 -2.595762682e+45 -1.928501924e+45 -2.107565824e+45 -2.563741235e+45 -1.901309748e+45 -3.052297296e+45 -2.322572504e+45 -1.713831821e+45 0.12 4.769065548e+44 5.290261271e+44 5.215976890e+44 6.366229994e+44 4.702440059e+44 5.862014730e+44 5.781650256e+44 7.022558525e+44 5.217355856e+44 5.701794100e+44 6.935927924e+44 5.143790329e+44 8.257664135e+44 6.283471696e+44 4.636588835e+44 0.14 -1.231153181e+44 -1.365701923e+44 -1.346525116e+44 -1.643467516e+44 -1.213953547e+44 -1.513302346e+44 -1.492555938e+44 -1.812901328e+44 -1.346881101e+44 -1.471940755e+44 -1.790537295e+44 -1.327889869e+44 -2.131748739e+44 -1.622103133e+44 -1.196953792e+44 0.16 8.081774065e+42 8.965004969e+42 8.839120857e+42 1.078836765e+43 7.968868897e+42 9.933912238e+42 9.797724653e+42 1.190059788e+43 8.841457686e+42 9.662398477e+42 1.175379157e+43 8.716791762e+42 1.399363778e+43 1.064812343e+43 7.857275817e+42 0.18 2.497295136e+42 2.770216430e+42 2.731317820e+42 3.333641578e+42 2.462407062e+42 3.069612007e+42 3.027529589e+42 3.677324430e+42 2.732039908e+42 2.985713350e+42 3.631960788e+42 2.693517722e+42 4.324080739e+42 3.290305647e+42 2.427924429e+42 0.20 1.381546730e+41 1.532531496e+41 1.511012114e+41 1.844228003e+41 1.362246046e+41 1.698162292e+41 1.674881573e+41 2.034359283e+41 1.511411586e+41 1.651748108e+41 2.009263334e+41 1.490100448e+41 2.392156025e+41 1.820253819e+41 1.343169659e+41 0.22 6.921090692e+39 7.677474272e+39 7.569669308e+39 9.238970343e+39 6.824400671e+39 8.507229598e+39 8.390600920e+39 1.019146497e+40 7.571670528e+39 8.274709937e+39 1.006574259e+40 7.464908800e+39 1.198390792e+40 9.118867635e+39 6.728834299e+39 0.24 7.985287421e+38 8.857973613e+38 8.733592405e+38 1.065956754e+39 7.873730205e+38 9.815313296e+38 9.680751627e+38 1.175851908e+39 8.735901335e+38 9.547041082e+38 1.161346546e+39 8.612723772e+38 1.382657061e+39 1.052099767e+39 7.763469412e+38 0.26 6.154235572e+37 6.826812040e+37 6.730951839e+37 8.215294736e+37 6.068258781e+37 7.564630684e+37 7.460924434e+37 9.062253193e+37 6.732731324e+37 7.357874143e+37 8.950460825e+37 6.637798769e+37 1.065609392e+38 8.108499379e+37 5.983281140e+37 0.28 2.869079508e+34 3.182631912e+34 3.137942278e+34 3.829936879e+34 2.828997479e+34 3.526599953e+34 3.478252522e+34 4.224785455e+34 3.138771867e+34 3.430210898e+34 4.172668309e+34 3.094514697e+34 4.967827495e+34 3.780149319e+34 2.789381249e+34 0.30 -6.371804750e+34 -7.068158648e+34 -6.968909526e+34 -8.505728032e+34 -6.282788443e+34 -7.832061213e+34 -7.724688662e+34 -9.382628803e+34 -6.970751920e+34 -7.617995260e+34 -9.266884267e+34 -6.872463238e+34 -1.103281619e+35 -8.395157165e+34 -6.194806607e+34 0.32 1.659821053e+33 1.841217519e+33 1.815363653e+33 2.215696653e+33 1.636632781e+33 2.040210051e+33 2.012240075e+33 2.444124614e+33 1.815843587e+33 1.984447015e+33 2.413973781e+33 1.790239911e+33 2.873989599e+33 2.186893534e+33 1.613713984e+33 0.34 -3.066785784e+31 -3.401944867e+31 -3.354175701e+31 -4.093855169e+31 -3.023941730e+31 -3.769615507e+31 -3.717936488e+31 -4.515912487e+31 -3.355062456e+31 -3.666584348e+31 -4.460203985e+31 -3.307755556e+31 -5.310157038e+31 -4.040636784e+31 -2.981595574e+31 0.36 3.312254397e+29 3.674239949e+29 3.622647291e+29 4.421531447e+29 3.265981062e+29 4.071339316e+29 4.015523857e+29 4.877370655e+29 3.623605023e+29 3.960061440e+29 4.817203189e+29 3.572511631e+29 5.735187338e+29 4.364053408e+29 3.220245477e+29 0.38 2.241787825e+27 2.486785554e+27 2.451866801e+27 2.992564633e+27 2.210469277e+27 2.755548885e+27 2.717772071e+27 3.301084048e+27 2.452515009e+27 2.680234203e+27 3.260361725e+27 2.417934168e+27 3.881668376e+27 2.953662559e+27 2.179514686e+27 0.40 -3.588735352e+25 -3.980936611e+25 -3.925037404e+25 -4.790606127e+25 -3.538599482e+25 -4.411182711e+25 -4.350708216e+25 -5.284495209e+25 -3.926075080e+25 -4.290616233e+25 -5.219305436e+25 -3.870716813e+25 -6.213915684e+25 -4.728330274e+25 -3.489046250e+25 0.42 -3.189411129e+23 -3.537971538e+23 -3.488292324e+23 -4.257547855e+23 -3.144853957e+23 -3.920343478e+23 -3.866598076e+23 -4.696481122e+23 -3.489214536e+23 -3.813192622e+23 -4.638545117e+23 -3.440016070e+23 -5.522483520e+23 -4.202201533e+23 -3.100814590e+23 0.44 -1.716820208e+21 -1.904445927e+21 -1.877704226e+21 -2.291784878e+21 -1.692835639e+21 -2.110271970e+21 -2.081341491e+21 -2.528057178e+21 -1.878200641e+21 -2.052594002e+21 -2.496870950e+21 -1.851717721e+21 -2.972683961e+21 -2.261992644e+21 -1.669129797e+21 0.46 -7.543018402e+18 -8.367370446e+18 -8.249878152e+18 -1.006918222e+19 -7.437639836e+18 -9.271687407e+18 -9.144578500e+18 -1.110726780e+19 -8.252059200e+18 -9.018273579e+18 -1.097024804e+19 -8.135703887e+18 -1.306077929e+19 -9.938287105e+18 -7.333485891e+18 0.48 -9.582462081e+15 -1.062969832e+16 -1.048043904e+16 -1.279163746e+16 -9.448591784e+15 -1.177851999e+16 -1.161704401e+16 -1.411039544e+16 -1.048320979e+16 -1.145658939e+16 -1.393632896e+16 -1.033539491e+16 -1.659208762e+16 -1.262535158e+16 -9.316277215e+15 0.50 6.413633106e+13 7.114558289e+13 7.014657636e+13 8.561564743e+13 6.324032442e+13 7.883475570e+13 7.775398160e+13 9.444222017e+13 7.016512125e+13 7.668004358e+13 9.327717664e+13 6.917578217e+13 1.110524222e+14 8.450268022e+13 6.235473041e+13 0.52 -3.173079507e+10 -3.519855047e+10 -3.470430231e+10 -4.235746538e+10 -3.128750499e+10 -3.900268977e+10 -3.846798795e+10 -4.672432155e+10 -3.471347715e+10 -3.793666822e+10 -4.614792830e+10 -3.422401186e+10 -5.494204737e+10 -4.180683631e+10 -3.084936646e+10 0.54 -2.332696942e+07 -2.587598634e+07 -2.551273633e+07 -3.113744753e+07 -2.300113377e+07 -2.867225161e+07 -2.827927025e+07 -3.434728065e+07 -2.551943982e+07 -2.788877449e+07 -3.392365873e+07 -2.515970496e+07 -4.038690945e+07 -3.073272105e+07 -2.267908448e+07 0.56 1.802794990e+07 1.999841697e+07 1.971752965e+07 2.406693020e+07 1.777605291e+07 2.216003790e+07 2.185616007e+07 2.654835292e+07 1.972277573e+07 2.155420437e+07 2.622078073e+07 1.944460661e+07 3.121860985e+07 2.375403236e+07 1.752708344e+07 0.58 1.182201718e+07 1.311421034e+07 1.293000340e+07 1.578235846e+07 1.165682686e+07 1.453176025e+07 1.433247601e+07 1.740963601e+07 1.293344871e+07 1.413445233e+07 1.719481283e+07 1.275102438e+07 2.047241118e+07 1.557716375e+07 1.149355639e+07 0.60 7.870060218e+06 8.730319408e+06 8.607681043e+06 1.050667823e+07 7.760086110e+06 9.674034520e+06 9.541358208e+06 1.159002282e+07 8.609978687e+06 9.409521135e+06 1.144700117e+07 8.488527125e+06 1.362911118e+07 1.037007079e+07 7.651390155e+06 0.62 5.309586970e+06 5.889990722e+06 5.807244329e+06 7.088534471e+06 5.235388316e+06 6.526702068e+06 6.437182866e+06 7.819456706e+06 5.808797683e+06 6.348229921e+06 7.722957252e+06 5.726852053e+06 9.195269786e+06 6.996365929e+06 5.162052040e+06 0.64 3.627134295e+06 4.023644623e+06 3.967112017e+06 4.842494690e+06 3.576443882e+06 4.458623141e+06 4.397463314e+06 5.341838618e+06 3.968175755e+06 4.336690360e+06 5.275909813e+06 3.912190235e+06 6.281800325e+06 4.779527287e+06 3.526342637e+06 0.66 2.506986523e+06 2.781060552e+06 2.741981649e+06 3.347102224e+06 2.471948012e+06 3.081725135e+06 3.039447592e+06 3.692260419e+06 2.742718976e+06 2.997437484e+06 3.646686219e+06 2.704018256e+06 4.342022625e+06 3.303577160e+06 2.437316759e+06 0.68 1.751946953e+06 1.943489804e+06 1.916176433e+06 2.339113339e+06 1.727459072e+06 2.153616678e+06 2.124067675e+06 2.580338226e+06 1.916693402e+06 2.094705593e+06 2.548485064e+06 1.889644355e+06 3.034476885e+06 2.308694024e+06 1.703255827e+06 0.70 1.237063400e+06 1.372323805e+06 1.353034328e+06 1.651724929e+06 1.219770627e+06 1.520708052e+06 1.499839700e+06 1.822071595e+06 1.353400760e+06 1.479103359e+06 1.799575955e+06 1.334297958e+06 2.142798109e+06 1.630243262e+06 1.202678867e+06 0.72 8.820839368e+05 9.785395607e+05 9.647825544e+05 1.177805310e+06 8.697519935e+05 1.084354346e+06 1.069471300e+06 1.299283508e+06 9.650449858e+05 1.054682404e+06 1.283239880e+06 9.514211149e+05 1.528022283e+06 1.162485944e+06 8.575634040e+05 0.74 6.348050959e+05 7.042279988e+05 6.943253196e+05 8.476654657e+05 6.259290765e+05 7.803873981e+05 7.696741577e+05 9.350999100e+05 6.945151323e+05 7.590286914e+05 9.235512334e+05 6.847082887e+05 1.099753127e+06 8.366390504e+05 6.171562426e+05 0.76 4.608585978e+05 5.112644854e+05 5.040734320e+05 6.154251542e+05 4.544137907e+05 5.665618237e+05 5.587821581e+05 6.789101879e+05 5.042120227e+05 5.510517097e+05 6.705238373e+05 4.970905633e+05 7.984773502e+05 6.074188178e+05 4.480439103e+05 0.78 3.373592498e+05 3.742625004e+05 3.689969254e+05 4.505333495e+05 3.326407025e+05 4.147471248e+05 4.090505406e+05 4.970133863e+05 3.690990367e+05 4.033899963e+05 4.908725513e+05 3.638844219e+05 5.845656481e+05 4.446714128e+05 3.279770164e+05 0.80 2.489034739e+05 2.761348381e+05 2.722485940e+05 3.324265690e+05 2.454214626e+05 3.060091403e+05 3.018047876e+05 3.667258174e+05 2.723244852e+05 2.976270351e+05 3.621935765e+05 2.684758527e+05 4.313439054e+05 3.281007025e+05 2.419799387e+05 0.82 1.850171080e+05 2.052624747e+05 2.023726173e+05 2.471218666e+05 1.824282645e+05 2.274729208e+05 2.243465112e+05 2.726227953e+05 2.024294959e+05 2.212398827e+05 2.692525558e+05 1.995676075e+05 3.206738830e+05 2.439055396e+05 1.798695257e+05 0.84 1.385086043e+05 1.536677817e+05 1.515034283e+05 1.850184580e+05 1.365700513e+05 1.702984981e+05 1.679569770e+05 2.041136092e+05 1.515464039e+05 1.656302716e+05 2.015894649e+05 1.494029982e+05 2.401016440e+05 1.826099669e+05 1.346540433e+05 0.86 1.043945481e+05 1.158226114e+05 1.141905374e+05 1.394633520e+05 1.029330463e+05 1.283601450e+05 1.265944722e+05 1.538592706e+05 1.142232637e+05 1.248399721e+05 1.519558811e+05 1.126069862e+05 1.809969884e+05 1.376474964e+05 1.014885435e+05 0.88 7.919127025e+04 8.786248520e+04 8.662375725e+04 1.058056900e+05 7.808226303e+04 9.737562979e+04 9.603549986e+04 1.167293548e+05 8.664886870e+04 9.470385039e+04 1.152846941e+05 8.542213037e+04 1.373268025e+05 1.044277422e+05 7.698615644e+04 0.90 6.044306246e+04 6.706324531e+04 6.611720362e+04 8.076693492e+04 5.959631196e+04 7.432630080e+04 7.330281487e+04 8.910725429e+04 6.613661486e+04 7.228580609e+04 8.800393171e+04 6.519973014e+04 1.048381046e+05 7.971479810e+04 5.875941276e+04 0.92 4.640499315e+04 5.148920247e+04 5.076238561e+04 6.201744211e+04 4.575464842e+04 5.706720426e+04 5.628088793e+04 6.842309298e+04 5.077749880e+04 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