# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2019--Aslam-I-Baskes-M-I-Dickel-D-E-et-al--Fe-Mn-Si-C # implementation = 2019--Aslam-I--Fe-Mn-Si-C--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 C C C Fe C Mn C Si Fe Fe Fe Mn Fe Si Mn Mn Mn Si Si Si 0.02 2.249108298e+04 9.484801301e+04 9.194641527e+04 1.084048011e+05 4.001142031e+05 3.853405824e+05 2.458437959e+05 3.715093473e+05 2.576833952e+05 3.373239483e+05 0.04 9.841147418e+03 4.057740310e+04 3.970962503e+04 7.441322944e+04 1.675578914e+05 1.616310107e+05 1.177215100e+05 1.562878297e+05 1.327742732e+05 2.516591173e+05 0.06 5.821566743e+03 2.354452043e+04 2.328562466e+04 6.088800207e+04 9.551256454e+04 9.228760841e+04 7.642892893e+04 8.952403177e+04 9.150079377e+04 2.141569892e+05 0.08 3.910141016e+03 1.554081812e+04 1.554880809e+04 5.259545095e+04 6.206400828e+04 6.007408145e+04 5.621929851e+04 5.848009683e+04 7.062934309e+04 1.892721655e+05 0.10 2.822408522e+03 1.103523430e+04 1.117956446e+04 4.652061683e+04 4.343722536e+04 4.212343689e+04 4.422695711e+04 4.116232597e+04 5.777643709e+04 1.699578178e+05 0.12 2.135138640e+03 8.216388981e+03 8.435346310e+03 4.165699606e+04 3.189942834e+04 3.099653363e+04 3.624602435e+04 3.041402401e+04 4.888729448e+04 1.538471115e+05 0.14 1.669762103e+03 6.325241215e+03 6.585747625e+03 3.756884662e+04 2.423280637e+04 2.359706637e+04 3.051466925e+04 2.325574818e+04 4.225860314e+04 1.399018438e+05 0.16 1.338660023e+03 4.991836701e+03 5.274657195e+03 3.403310723e+04 1.887875049e+04 1.842498517e+04 2.617232318e+04 1.824375256e+04 3.705471814e+04 1.275788821e+05 0.18 1.094176834e+03 4.016160154e+03 4.309475797e+03 3.092075850e+04 1.499896916e+04 1.467335791e+04 2.275118718e+04 1.460123845e+04 3.281850170e+04 1.165544980e+05 0.20 9.083597005e+02 3.281482502e+03 3.577756848e+03 2.814972335e+04 1.210632981e+04 1.187320317e+04 1.997573286e+04 1.187664923e+04 2.927838664e+04 1.066151333e+05 0.22 7.638290030e+02 2.715529647e+03 3.009844359e+03 2.566364269e+04 9.900344251e+03 9.735184737e+03 1.767309591e+04 9.791339633e+03 2.626211336e+04 9.760823910e+04 0.24 6.492666627e+02 2.271398856e+03 2.560508212e+03 2.342136563e+04 8.186708663e+03 8.072177822e+03 1.572913474e+04 8.165054394e+03 2.365440350e+04 8.941793355e+04 0.26 5.570175886e+02 1.917465138e+03 2.199229317e+03 2.139133406e+04 6.834908416e+03 6.758464656e+03 1.406522016e+04 6.876654626e+03 2.137458511e+04 8.195196794e+04 0.28 4.817379872e+02 1.631717865e+03 1.904748085e+03 1.954838860e+04 5.754494487e+03 5.706899614e+03 1.262521632e+04 5.842138225e+03 1.936402815e+04 7.513427850e+04 0.30 4.195970770e+02 1.398427518e+03 1.661855551e+03 1.787185433e+04 4.881144114e+03 4.855491618e+03 1.136781128e+04 5.001724298e+03 1.757873180e+04 6.890048625e+04 0.32 3.677856718e+02 1.206098830e+03 1.459422737e+03 1.634433694e+04 4.168109411e+03 4.159172631e+03 1.026179773e+04 4.311929423e+03 1.598475365e+04 6.319503412e+04 0.34 3.242030705e+02 1.046168727e+03 1.289147000e+03 1.495093336e+04 3.580780951e+03 3.584564491e+03 9.283061024e+03 3.740530000e+03 1.455528452e+04 5.796928067e+04 0.36 2.872516556e+02 9.121529701e+02 1.144730334e+03 1.367869411e+04 3.093126883e+03 3.106551033e+03 8.412596220e+03 3.263262281e+03 1.326871593e+04 5.318017719e+04 0.38 2.556983430e+02 7.990708491e+02 1.021325360e+03 1.251624369e+04 2.685294336e+03 2.705968961e+03 7.635163569e+03 2.861599282e+03 1.210732389e+04 4.878931308e+04 0.40 2.285789995e+02 7.030484121e+02 9.151532030e+02 1.145350390e+04 2.341957479e+03 2.368017394e+03 6.938354762e+03 2.521219420e+03 1.105634979e+04 4.476220296e+04 0.42 2.051311467e+02 6.210392259e+02 8.232345087e+02 1.048148620e+04 2.051157190e+03 2.081140610e+03 6.311930208e+03 2.230930643e+03 1.010334382e+04 4.106773791e+04 0.44 1.847456159e+02 5.506238924e+02 7.431962922e+02 9.592131555e+03 1.803470271e+03 1.836227984e+03 5.747338559e+03 1.981899873e+03 9.237685153e+03 3.767775089e+04 0.46 1.669312907e+02 4.898639850e+02 6.731311746e+02 8.778184029e+03 1.591406246e+03 1.626032998e+03 5.237362606e+03 1.767093334e+03 8.450225178e+03 3.456666459e+04 0.48 1.512890004e+02 4.371940360e+02 6.114932551e+02 8.033088849e+03 1.408963147e+03 1.444745303e+03 4.775853931e+03 1.580864217e+03 7.733017374e+03 3.171120021e+04 0.50 1.375443102e+02 3.913405180e+02 5.570199768e+02 7.350908616e+03 1.251295916e+03 1.287671209e+03 4.357530856e+03 1.418644739e+03 7.079109251e+03 2.909013215e+04 0.52 1.256101423e+02 3.512604915e+02 5.086729272e+02 6.726253365e+03 1.114466648e+03 1.150992955e+03 3.977822755e+03 1.276714070e+03 6.482379973e+03 2.668407859e+04 0.54 1.152300027e+02 3.160945879e+02 4.655924481e+02 6.154221331e+03 9.952543008e+02 1.031585278e+03 3.632748409e+03 1.152021419e+03 5.937411726e+03 2.447532045e+04 0.56 1.061299992e+02 2.851306232e+02 4.270624831e+02 5.630348170e+03 8.910083652e+02 9.268742909e+02 3.318819804e+03 1.042049902e+03 5.439386464e+03 2.244764309e+04 0.58 9.806347240e+01 2.577752472e+02 3.924831692e+02 5.150563001e+03 7.995355874e+02 8.347282234e+02 3.032965317e+03 9.447110880e+02 4.984002166e+03 2.058619693e+04 0.60 9.082374955e+01 2.335316313e+02 3.613492472e+02 4.711149999e+03 7.190114309e+02 7.533719905e+02 2.772467653e+03 8.582625126e+02 4.567404042e+03 1.887737383e+04 0.62 8.424709055e+01 2.119817962e+02 3.332329447e+02 4.308714594e+03 6.479104377e+02 6.813199772e+02 2.534913231e+03 7.812427538e+02 4.186127470e+03 1.730869659e+04 0.64 7.821058420e+01 1.927725358e+02 3.077703289e+02 3.940152513e+03 5.849511490e+02 6.173228590e+02 2.318150569e+03 7.124200365e+02 3.837050256e+03 1.586872006e+04 0.66 7.262825304e+01 1.756041089e+02 2.846503286e+02 3.601664140e+03 5.290521714e+02 5.603251679e+02 2.120255716e+03 6.507512016e+02 3.517352270e+03 1.454694194e+04 0.68 6.744846913e+01 1.602211203e+02 2.636058705e+02 3.290203252e+03 4.792969975e+02 5.094313022e+02 1.939503343e+03 5.953488221e+02 3.224481081e+03 1.333372224e+04 0.70 6.265935583e+01 1.464051275e+02 2.444066811e+02 3.004089298e+03 4.349056786e+02 4.638781468e+02 1.774342378e+03 5.454546976e+02 2.956122496e+03 1.222021034e+04 0.72 5.835113452e+01 1.339686022e+02 2.268533993e+02 2.741645890e+03 3.952118513e+02 4.230128593e+02 1.623375313e+03 5.004183364e+02 2.710175080e+03 1.119827869e+04 0.74 5.565214813e+01 1.227499909e+02 2.107727508e+02 2.501253188e+03 3.596440645e+02 3.862748077e+02 1.485340520e+03 4.596794470e+02 2.484728030e+03 1.026046253e+04 0.76 5.127712239e+01 1.126096475e+02 1.960135674e+02 2.280837562e+03 3.277105071e+02 3.531807902e+02 1.359097061e+03 4.227536006e+02 2.278041836e+03 9.399904932e+03 0.78 4.695897581e+01 1.034264695e+02 1.824434868e+02 2.079099252e+03 2.989864499e+02 3.233128787e+02 1.243611533e+03 3.892204289e+02 2.088531274e+03 8.610306642e+03 0.80 4.281564703e+01 9.509510965e+01 1.699462114e+02 1.894576383e+03 2.731039027e+02 2.963083998e+02 1.137946645e+03 3.587138896e+02 1.914750418e+03 7.885880232e+03 0.82 3.887619293e+01 8.752365120e+01 1.584192161e+02 1.725893972e+03 2.497430366e+02 2.718516235e+02 1.041251242e+03 3.309141829e+02 1.755379336e+03 7.221308190e+03 0.84 3.515306120e+01 8.063166351e+01 1.477718266e+02 1.571767193e+03 2.286250483e+02 2.496668448e+02 9.527515416e+02 3.055410165e+02 1.609212264e+03 6.611704534e+03 0.86 3.165178373e+01 7.434857249e+01 1.379236028e+02 1.431000197e+03 2.095062106e+02 2.295126127e+02 8.717434192e+02 2.823479820e+02 1.475147050e+03 6.052579655e+03 0.88 2.837350249e+01 6.861228620e+01 1.288029719e+02 1.302483517e+03 1.921728773e+02 2.111768822e+02 7.975855854e+02 2.611178251e+02 1.352175695e+03 5.539808087e+03 0.90 2.531601164e+01 6.337161911e+01 1.203460697e+02 1.185190531e+03 1.764372850e+02 1.944729383e+02 7.296935283e+02 2.416584636e+02 1.239375865e+03 5.069598799e+03 0.92 2.247441291e+01 5.868857116e+01 1.124957559e+02 1.078173364e+03 1.621340127e+02 1.792359547e+02 6.675341228e+02 2.237996222e+02 1.135903254e+03 4.638405143e+03 0.94 1.984165391e+01 5.446016107e+01 1.052007712e+02 9.805584510e+02 1.491169772e+02 1.653200731e+02 6.106208155e+02 2.073899717e+02 1.040984690e+03 4.242875802e+03 0.96 1.740901513e+01 5.053835434e+01 9.841501770e+01 8.915419541e+02 1.372568838e+02 1.525959231e+02 5.585093155e+02 1.922946959e+02 9.539119046e+02 3.880136358e+03 0.98 1.516655771e+01 4.683005226e+01 9.209693901e+01 8.103851693e+02 1.264390535e+02 1.409485060e+02 5.107937280e+02 1.783934129e+02 8.740358967e+02 3.547541652e+03 1.00 1.310352883e+01 4.328077634e+01 8.620898641e+01 7.364100038e+02 1.165615616e+02 1.302753814e+02 4.670971432e+02 1.655783906e+02 8.007618167e+02 3.242648011e+03 1.02 1.120871917e+01 3.986259966e+01 8.071715724e+01 6.689945980e+02 1.075358238e+02 1.204851138e+02 4.313425564e+02 1.537530143e+02 7.335443236e+02 2.963200977e+03 1.04 9.470769638e+00 3.656508031e+01 7.559059440e+01 6.075691300e+02 9.892657513e+01 1.114959337e+02 4.070022446e+02 1.428304646e+02 6.718833621e+02 2.707122904e+03 1.06 7.878426563e+00 3.338857761e+01 7.080123755e+01 5.516118293e+02 9.031517388e+01 1.032345805e+02 3.896119871e+02 1.327325713e+02 6.153203185e+02 2.472500739e+03 1.08 6.420747028e+00 3.033943191e+01 6.632351927e+01 5.006452169e+02 8.191578520e+01 9.563530326e+01 3.760072498e+02 1.233888219e+02 5.634345188e+02 2.257574166e+03 1.10 5.087257783e+00 2.742658368e+01 6.213409839e+01 4.542325761e+02 7.388061951e+01 8.863899100e+01 3.640793557e+02 1.147354958e+02 5.158400337e+02 2.060724266e+03 1.12 3.868072144e+00 2.465930633e+01 5.821162596e+01 4.119746549e+02 6.630698114e+01 8.219241602e+01 3.524898776e+02 1.067149097e+02 4.721827617e+02 1.880462762e+03 1.14 2.753970197e+00 2.204575604e+01 5.453653906e+01 3.735065966e+02 5.925121785e+01 7.624757459e+01 3.404528232e+02 9.927475691e+01 4.321377659e+02 1.715421909e+03 1.16 1.736447221e+00 1.959210984e+01 5.109087802e+01 3.384950903e+02 5.273954216e+01 7.076110849e+01 3.275697174e+02 9.236752635e+01 3.954068364e+02 1.564345023e+03 1.18 8.077357690e-01 1.730215818e+01 4.785812423e+01 3.066357334e+02 4.677637329e+01 6.569379846e+01 3.137061043e+02 8.594999095e+01 3.617162619e+02 1.426077672e+03 1.20 -3.919413147e-02 1.517720740e+01 4.482305533e+01 2.776505950e+02 4.135074113e+01 6.101011868e+01 2.989000126e+02 7.998275548e+01 3.308147885e+02 1.299559494e+03 1.22 -8.106888195e-01 1.321618981e+01 4.197161491e+01 2.512859685e+02 3.644116897e+01 5.667784308e+01 2.832950872e+02 7.442985449e+01 3.024717489e+02 1.183816631e+03 1.24 -1.512581776e+00 1.141590301e+01 3.929079490e+01 2.273103038e+02 3.201936070e+01 5.266769799e+01 2.670926333e+02 6.925839428e+01 2.764753462e+02 1.077954734e+03 1.26 -2.150284441e+00 9.771322419e+00 3.676852798e+01 2.055123051e+02 2.805296340e+01 4.895305349e+01 2.505179819e+02 6.443823143e+01 2.526310786e+02 9.811525273e+02 1.28 -2.728816932e+00 8.275945123e+00 3.439358796e+01 1.856991845e+02 2.450760962e+01 4.550964830e+01 2.337976614e+02 5.994168192e+01 2.307602897e+02 8.926558732e+02 1.30 -3.252835293e+00 6.922135657e+00 3.215549616e+01 1.676950610e+02 2.134840019e+01 4.231534418e+01 2.171445882e+02 5.574325596e+01 2.106988333e+02 8.117723168e+02 1.32 -3.726656928e+00 5.701454719e+00 3.004443081e+01 1.513394917e+02 1.854095812e+01 3.934990424e+01 2.007491487e+02 5.181941157e+01 1.922958385e+02 7.378660725e+02 1.34 -4.154284245e+00 4.604957989e+00 2.805113677e+01 1.364861280e+02 1.605215395e+01 3.659479164e+01 1.847745247e+02 4.814781012e+01 1.754125633e+02 6.703534175e+02 1.36 -4.539426608e+00 3.623458397e+00 2.616683127e+01 1.230014856e+02 1.385058308e+01 3.403298459e+01 1.693549969e+02 4.465617618e+01 1.599213232e+02 6.086984610e+02 1.38 -4.885520860e+00 2.747748943e+00 2.438309957e+01 1.107638189e+02 1.190685579e+01 3.164880201e+01 1.545962948e+02 4.128868975e+01 1.457044760e+02 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