# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--Choi-W-M-Kim-Y-Seol-D-Lee-B-J--Co-Mn # implementation = 2017--Choi-W-M--Co-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 Mn Mn Mn 0.02 4.395167296e+02 2.548816363e+02 4.813139673e+02 0.04 4.168386496e+02 2.460096265e+02 4.544540812e+02 0.06 3.952506443e+02 2.370769194e+02 4.292684659e+02 0.08 3.747029435e+02 2.281699796e+02 4.056059492e+02 0.10 3.551479530e+02 2.193516256e+02 3.833373561e+02 0.12 3.365401630e+02 2.106673676e+02 3.623513930e+02 0.14 3.188360610e+02 2.021500140e+02 3.425513550e+02 0.16 3.019940469e+02 1.938230207e+02 3.238524890e+02 0.18 2.859743528e+02 1.857029271e+02 3.061798827e+02 0.20 2.707389651e+02 1.778011291e+02 2.894667721e+02 0.22 2.562515505e+02 1.701251720e+02 2.736531833e+02 0.24 2.424773844e+02 1.626796967e+02 2.586848416e+02 0.26 2.293832827e+02 1.554671334e+02 2.445122924e+02 0.28 2.169375362e+02 1.484882138e+02 2.310901930e+02 0.30 2.051098473e+02 1.417423517e+02 2.183767382e+02 0.32 1.938712704e+02 1.352279280e+02 2.063331942e+02 0.34 1.831941532e+02 1.289425070e+02 1.949235189e+02 0.36 1.730520819e+02 1.228830014e+02 1.841140494e+02 0.38 1.634198276e+02 1.170458014e+02 1.738732455e+02 0.40 1.542732953e+02 1.114268760e+02 1.641714757e+02 0.42 1.455894752e+02 1.060218548e+02 1.549808388e+02 0.44 1.373463958e+02 1.008260942e+02 1.462750130e+02 0.46 1.295230788e+02 9.583473226e+01 1.380291277e+02 0.48 1.220994962e+02 9.104273501e+01 1.302196532e+02 0.50 1.150565289e+02 8.644493518e+01 1.228243054e+02 0.52 1.083759272e+02 8.203606587e+01 1.158219612e+02 0.54 1.020402730e+02 7.781078935e+01 1.091925851e+02 0.56 9.603294339e+01 7.376372214e+01 1.029171628e+02 0.58 9.033807585e+01 6.988945693e+01 9.697764130e+01 0.60 8.494053490e+01 6.618258163e+01 9.135687494e+01 0.62 7.982588023e+01 6.263769618e+01 8.603857575e+01 0.64 7.498033609e+01 5.924942730e+01 8.100726779e+01 0.66 7.039076197e+01 5.601244145e+01 7.624824479e+01 0.68 6.604462457e+01 5.292145634e+01 7.174753079e+01 0.70 6.192997090e+01 4.997125112e+01 6.749184320e+01 0.72 5.803540260e+01 4.715667553e+01 6.346855828e+01 0.74 5.435005123e+01 4.447265809e+01 5.966567847e+01 0.76 5.086355476e+01 4.191421355e+01 5.607180171e+01 0.78 4.756603491e+01 3.947644971e+01 5.267609228e+01 0.80 4.444807560e+01 3.715457367e+01 4.946825328e+01 0.82 4.150070220e+01 3.494389766e+01 4.643850044e+01 0.84 3.871536177e+01 3.283984440e+01 4.357753732e+01 0.86 3.608390407e+01 3.083795212e+01 4.087653163e+01 0.88 3.359856346e+01 2.893387916e+01 3.832709286e+01 0.90 3.125194148e+01 2.712340819e+01 3.592125082e+01 0.92 2.903699033e+01 2.540244998e+01 3.365143533e+01 0.94 2.694699690e+01 2.376704676e+01 3.151045685e+01 0.96 2.497556762e+01 2.221337500e+01 2.949148798e+01 0.98 2.311661391e+01 2.073774766e+01 2.758804592e+01 1.00 2.136433827e+01 1.933661585e+01 2.579397569e+01 1.02 1.971322099e+01 1.800656984e+01 2.410343418e+01 1.04 1.815800742e+01 1.674433939e+01 2.251087491e+01 1.06 1.669369585e+01 1.554679334e+01 2.101103361e+01 1.08 1.531552583e+01 1.441093855e+01 1.959891433e+01 1.10 1.401896710e+01 1.333391813e+01 1.826977633e+01 1.12 1.279970896e+01 1.231300889e+01 1.701912154e+01 1.14 1.165365011e+01 1.134561825e+01 1.584268259e+01 1.16 1.057688897e+01 1.042928042e+01 1.473641144e+01 1.18 9.565714400e+00 9.561652072e+00 1.369646848e+01 1.20 8.616596847e+00 8.740507489e+00 1.271921222e+01 1.22 7.726179898e+00 7.963733289e+00 1.180118937e+01 1.24 6.891272205e+00 7.229322785e+00 1.093912540e+01 1.26 6.108839775e+00 6.535370086e+00 1.012991554e+01 1.28 5.375998618e+00 5.880064020e+00 9.370616134e+00 1.30 4.690007722e+00 5.261681965e+00 8.658436436e+00 1.32 4.048262358e+00 4.678583678e+00 7.990730699e+00 1.34 3.448287696e+00 4.129205212e+00 7.364990641e+00 1.36 2.887732711e+00 3.612052989e+00 6.778838227e+00 1.38 2.364364385e+00 3.125698119e+00 6.230018762e+00 1.40 1.876062180e+00 2.668771011e+00 5.716394301e+00 1.42 1.420812777e+00 2.239956346e+00 5.235937345e+00 1.44 9.967050709e-01 1.837988447e+00 4.786724852e+00 1.46 6.019254126e-01 1.461647089e+00 4.366932534e+00 1.48 2.347530866e-01 1.109753755e+00 3.974829460e+00 1.50 -1.064439791e-01 7.811683679e-01 3.608772961e+00 1.52 -4.232132835e-01 4.747864822e-01 3.267203834e+00 1.54 -7.170216073e-01 1.895369369e-01 2.948641856e+00 1.56 -9.892586613e-01 -7.562005506e-02 2.651681595e+00 1.58 -1.241240534e+00 -3.216944013e-01 2.374988518e+00 1.60 -1.474212945e+00 -5.496672415e-01 2.117295396e+00 1.62 -1.689354312e+00 -7.604917076e-01 1.877398982e+00 1.64 -1.887778636e+00 -9.550933699e-01 1.654156949e+00 1.66 -2.070538216e+00 -1.134370406e+00 1.446485082e+00 1.68 -2.238626191e+00 -1.299193527e+00 1.253354683e+00 1.70 -2.392978935e+00 -1.450405699e+00 1.073790182e+00 1.72 -2.534478288e+00 -1.588821692e+00 9.068669112e-01 1.74 -2.663953658e+00 -1.715227493e+00 7.517090354e-01 1.76 -2.782183993e+00 -1.830379603e+00 6.074875901e-01 1.78 -2.889899628e+00 -1.935004267e+00 4.734186197e-01 1.80 -2.987784041e+00 -2.029796659e+00 3.487613819e-01 1.82 -3.076475511e+00 -2.115420056e+00 2.328166014e-01 1.84 -3.156568708e+00 -2.192505049e+00 1.249247545e-01 1.86 -3.228616236e+00 -2.261648817e+00 2.446437179e-02 1.88 -3.293130133e+00 -2.323414533e+00 -6.914965029e-02 1.90 -3.350583365e+00 -2.378330926e+00 -1.564677332e-01 1.92 -3.401411322e+00 -2.426892071e+00 -2.380072946e-01 1.94 -3.446013353e+00 -2.469557445e+00 -3.142544167e-01 1.96 -3.484754337e+00 -2.506752306e+00 -3.856654917e-01 1.98 -3.517966337e+00 -2.538868421e+00 -4.526688322e-01 2.00 -3.545950338e+00 -2.566265183e+00 -5.156662233e-01 2.02 -3.568978104e+00 -2.589271112e+00 -5.750343918e-01 2.04 -3.587294168e+00 -2.608185739e+00 -6.311263614e-01 2.06 -3.601117980e+00 -2.623281841e+00 -6.842726577e-01 2.08 -3.610646239e+00 -2.634807956e+00 -7.347823202e-01 2.10 -3.616055434e+00 -2.642991112e+00 -7.829436736e-01 2.12 -3.617504614e+00 -2.648039668e+00 -8.290248055e-01 2.14 -3.615138385e+00 -2.650146157e+00 -8.732736904e-01 2.16 -3.609090148e+00 -2.649490019e+00 -9.159178982e-01 2.18 -3.599485525e+00 -2.646240102e+00 -9.571638220e-01 2.20 -3.586445910e+00 -2.640556841e+00 -9.971953646e-01 2.22 -3.570092037e+00 -2.632594022e+00 -1.036172031e+00 2.24 -3.550547410e+00 -2.622500065e+00 -1.074226396e+00 2.26 -3.527941413e+00 -2.610418805e+00 -1.111460945e+00 2.28 -3.502411899e+00 -2.596489746e+00 -1.147944350e+00 2.30 -3.474107070e+00 -2.580847834e+00 -1.183707306e+00 2.32 -3.443186485e+00 -2.563622777e+00 -1.218738177e+00 2.34 -3.409821104e+00 -2.544938014e+00 -1.252978809e+00 2.36 -3.374192356e+00 -2.524909402e+00 -1.286321039e+00 2.38 -3.336490289e+00 -2.503643775e+00 -1.318604579e+00 2.40 -3.296910983e+00 -2.481237476e+00 -1.349617058e+00 2.42 -3.255653424e+00 -2.457775020e+00 -1.379097070e+00 2.44 -3.212916117e+00 -2.433328038e+00 -1.406740978e+00 2.46 -3.168893703e+00 -2.407954630e+00 -1.432213939e+00 2.48 -3.123773831e+00 -2.381699280e+00 -1.455165131e+00 2.50 -3.077734488e+00 -2.354593411e+00 -1.475246508e+00 2.52 -3.030941931e+00 -2.326656674e+00 -1.492133670e+00 2.54 -2.983549293e+00 -2.297898964e+00 -1.505546824e+00 2.56 -2.935695861e+00 -2.268323106e+00 -1.515269536e+00 2.58 -2.887506986e+00 -2.237928105e+00 -1.521163116e+00 2.60 -2.839094513e+00 -2.206712743e+00 -1.523175147e+00 2.62 -2.790557623e+00 -2.174679277e+00 -1.521341540e+00 2.64 -2.741983937e+00 -2.141836970e+00 -1.515782484e+00 2.66 -2.693450771e+00 -2.108205140e+00 -1.506693329e+00 2.68 -2.645026413e+00 -2.073815505e+00 -1.494331840e+00 2.70 -2.596771353e+00 -2.038713607e+00 -1.479003263e+00 2.72 -2.548739388e+00 -2.002959205e+00 -1.461044536e+00 2.74 -2.500978587e+00 -1.966625627e+00 -1.440808760e+00 2.76 -2.453532090e+00 -1.929798156e+00 -1.418650855e+00 2.78 -2.406438760e+00 -1.892571602e+00 -1.394915119e+00 2.80 -2.359733700e+00 -1.855047315e+00 -1.369925193e+00 2.82 -2.313448658e+00 -1.817329894e+00 -1.343976722e+00 2.84 -2.267612349e+00 -1.779523882e+00 -1.317332708e+00 2.86 -2.222250717e+00 -1.741730699e+00 -1.290221384e+00 2.88 -2.177387139e+00 -1.704046026e+00 -1.262836221e+00 2.90 -2.133042619e+00 -1.666557761e+00 -1.235337624e+00 2.92 -2.089235935e+00 -1.629344627e+00 -1.207855818e+00 2.94 -2.045983794e+00 -1.592475418e+00 -1.180494448e+00 2.96 -2.003300959e+00 -1.556008832e+00 -1.153334495e+00 2.98 -1.961200376e+00 -1.519993777e+00 -1.126438179e+00 3.00 -1.919693289e+00 -1.484470059e+00 -1.099852604e+00 3.02 -1.878789351e+00 -1.449469300e+00 -1.073613002e+00 3.04 -1.838496730e+00 -1.415015997e+00 -1.047745487e+00 3.06 -1.798822205e+00 -1.381128611e+00 -1.022269306e+00 3.08 -1.759771257e+00 -1.347820609e+00 -9.971986083e-01 3.10 -1.721348162e+00 -1.315101417e+00 -9.725437816e-01 3.12 -1.683556071e+00 -1.282977237e+00 -9.483124388e-01 3.14 -1.646397086e+00 -1.251451735e+00 -9.245101146e-01 3.16 -1.609872340e+00 -1.220526581e+00 -9.011407492e-01 3.18 -1.573982062e+00 -1.190201877e+00 -8.782070174e-01 3.20 -1.538725643e+00 -1.160476471e+00 -8.557105517e-01 3.22 -1.504101701e+00 -1.131348193e+00 -8.336520952e-01 3.24 -1.470108140e+00 -1.102814030e+00 -8.120316112e-01 3.26 -1.436742199e+00 -1.074870247e+00 -7.908483654e-01 3.28 -1.404000513e+00 -1.047512487e+00 -7.701009921e-01 3.30 -1.371879156e+00 -1.020735841e+00 -7.497875506e-01 3.32 -1.340373687e+00 -9.945349078e-01 -7.299055757e-01 3.34 -1.309479199e+00 -9.689038483e-01 -7.104521227e-01 3.36 -1.279190354e+00 -9.438364266e-01 -6.914238107e-01 3.38 -1.249501424e+00 -9.193260527e-01 -6.728168618e-01 3.40 -1.220406328e+00 -8.953658195e-01 -6.546271378e-01 3.42 -1.191898664e+00 -8.719485372e-01 -6.368501756e-01 3.44 -1.163971742e+00 -8.490667661e-01 -6.194812188e-01 3.46 -1.136618613e+00 -8.267128468e-01 -6.025152488e-01 3.48 -1.109832099e+00 -8.048789284e-01 -5.859470126e-01 3.50 -1.083604818e+00 -7.835569947e-01 -5.697710498e-01 3.52 -1.057929209e+00 -7.627388893e-01 -5.539817171e-01 3.54 -1.032797553e+00 -7.424163380e-01 -5.385732115e-01 3.56 -1.008201998e+00 -7.225809704e-01 -5.235395920e-01 3.58 -9.841345783e-01 -7.032243399e-01 -5.088747995e-01 3.60 -9.605872300e-01 -6.843379419e-01 -4.945726756e-01 3.62 -9.375518132e-01 -6.659132311e-01 -4.806269801e-01 3.64 -9.150201256e-01 -6.479416373e-01 -4.670314069e-01 3.66 -8.929839187e-01 -6.304145802e-01 -4.537795994e-01 3.68 -8.714349115e-01 -6.133234827e-01 -4.408651639e-01 3.70 -8.503648040e-01 -5.966597839e-01 -4.282816829e-01 3.72 -8.297652894e-01 -5.804149503e-01 -4.160227268e-01 3.74 -8.096280655e-01 -5.645804865e-01 -4.040818651e-01 3.76 -7.899448447e-01 -5.491479449e-01 -3.924526760e-01 3.78 -7.707073647e-01 -5.341089349e-01 -3.811287565e-01 3.80 -7.519073963e-01 -5.194551307e-01 -3.701037303e-01 3.82 -7.335367526e-01 -5.051782788e-01 -3.593712559e-01 3.84 -7.155872960e-01 -4.912702050e-01 -3.489250338e-01 3.86 -6.980509455e-01 -4.777228202e-01 -3.387588132e-01 3.88 -6.809196828e-01 -4.645281261e-01 -3.288663974e-01 3.90 -6.641855583e-01 -4.516782199e-01 -3.192416500e-01 3.92 -6.478406965e-01 -4.391652993e-01 -3.098784992e-01 3.94 -6.318773005e-01 -4.269816657e-01 -3.007709423e-01 3.96 -6.162876565e-01 -4.151197280e-01 -2.919130497e-01 3.98 -6.010641378e-01 -4.035720059e-01 -2.832989688e-01 4.00 -5.861992083e-01 -3.923311320e-01 -2.749229264e-01 4.02 -5.716854256e-01 -3.813898546e-01 -2.667792321e-01 4.04 -5.575154436e-01 -3.707410392e-01 -2.588622803e-01 4.06 -5.436820152e-01 -3.603776702e-01 -2.511665525e-01 4.08 -5.301779945e-01 -3.502928525e-01 -2.436866191e-01 4.10 -5.169963384e-01 -3.404798119e-01 -2.364171408e-01 4.12 -5.041301081e-01 -3.309318965e-01 -2.293528698e-01 4.14 -4.915724708e-01 -3.216425768e-01 -2.224886511e-01 4.16 -4.793167005e-01 -3.126054459e-01 -2.158194229e-01 4.18 -4.673561790e-01 -3.038142200e-01 -2.093402175e-01 4.20 -4.556843965e-01 -2.952627378e-01 -2.030461615e-01 4.22 -4.442949518e-01 -2.869449607e-01 -1.969324760e-01 4.24 -4.331815532e-01 -2.788549718e-01 -1.909944767e-01 4.26 -4.223380179e-01 -2.709869758e-01 -1.852275739e-01 4.28 -4.117582727e-01 -2.633352979e-01 -1.796272721e-01 4.30 -4.014363532e-01 -2.558943831e-01 -1.741891694e-01 4.32 -3.913664038e-01 -2.486587951e-01 -1.689089577e-01 4.34 -3.815426772e-01 -2.416232154e-01 -1.637824212e-01 4.36 -3.719595339e-01 -2.347824421e-01 -1.588054364e-01 4.38 -3.626114417e-01 -2.281313884e-01 -1.539739711e-01 4.40 -3.534929747e-01 -2.216650815e-01 -1.492840834e-01 4.42 -3.437785952e-01 -2.148543624e-01 -1.443650568e-01 4.44 -3.231688992e-01 -2.011480201e-01 -1.346516523e-01 4.46 -2.656271237e-01 -1.642161306e-01 -1.089558119e-01 4.48 -1.410645351e-01 -8.609431095e-02 -5.593111364e-02 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 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