# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2013--Bonny-G-Castin-N-Terentyev-D--Fe-Ni-Cr # implementation = EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000 # 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 Cr Cr Cr Fe Cr Ni Fe Fe Fe Ni Ni Ni 0.02 3.422361101e+05 3.698507008e+05 3.973670010e+05 3.997079550e+05 4.294605456e+05 4.614428447e+05 0.04 1.444484666e+05 1.558064132e+05 1.670926774e+05 1.680690702e+05 1.802556804e+05 1.933380407e+05 0.06 8.268673080e+04 8.904777038e+04 9.535411765e+04 9.590753345e+04 1.027094558e+05 1.100035535e+05 0.08 5.392562931e+04 5.799361024e+04 6.201830468e+04 6.237607304e+04 6.671288799e+04 7.135919442e+04 0.10 3.786710199e+04 4.067166669e+04 4.344100516e+04 4.369019302e+04 4.667167594e+04 4.986320624e+04 0.12 2.789612826e+04 2.992591030e+04 3.192643905e+04 3.210858483e+04 3.426058764e+04 3.656235677e+04 0.14 2.125509168e+04 2.277508414e+04 2.427043018e+04 2.440816670e+04 2.601548986e+04 2.773338048e+04 0.16 1.660639959e+04 1.777391401e+04 1.892044791e+04 1.902726851e+04 2.025877099e+04 2.157406781e+04 0.18 1.322976754e+04 1.414448019e+04 1.504119732e+04 1.512568728e+04 1.608822231e+04 1.711559080e+04 0.20 1.070619958e+04 1.143442817e+04 1.214713195e+04 1.221502796e+04 1.297958591e+04 1.379516861e+04 0.22 8.777014457e+03 9.364574784e+03 9.938678985e+03 9.993962705e+03 1.060950910e+04 1.126579600e+04 0.24 7.274787279e+03 7.754286437e+03 8.222075672e+03 8.267595256e+03 8.768918076e+03 9.303178659e+03 0.26 6.086939997e+03 6.482148291e+03 6.867129451e+03 6.904972669e+03 7.317385054e+03 7.756720987e+03 0.28 5.135364534e+03 5.463956903e+03 5.783587022e+03 5.815315512e+03 6.157603418e+03 6.522115116e+03 0.30 4.364438544e+03 4.639778490e+03 4.907239249e+03 4.934041150e+03 5.220380398e+03 5.525225964e+03 0.32 3.732992043e+03 3.966012040e+03 4.191400073e+03 4.214192612e+03 4.455434392e+03 4.712209814e+03 0.34 3.209045243e+03 3.410344212e+03 3.601490325e+03 3.620990554e+03 3.825545779e+03 4.043234050e+03 0.36 2.769899165e+03 2.948441996e+03 3.111487364e+03 3.128262023e+03 3.302723028e+03 3.488361037e+03 0.38 2.399065834e+03 2.561725966e+03 2.701534971e+03 2.716036364e+03 2.865622095e+03 3.024777932e+03 0.40 2.083897748e+03 2.235835940e+03 2.356296738e+03 2.368888984e+03 2.497768930e+03 2.634888984e+03 0.42 1.814328774e+03 1.959552143e+03 2.063798569e+03 2.074777097e+03 2.186310306e+03 2.304975220e+03 0.44 1.582212561e+03 1.724023054e+03 1.814600497e+03 1.824206715e+03 1.921120346e+03 2.024236102e+03 0.46 1.380964384e+03 1.522204036e+03 1.601194793e+03 1.609627266e+03 1.694151442e+03 1.784093612e+03 0.48 1.205341486e+03 1.348443493e+03 1.417562459e+03 1.424985504e+03 1.498956207e+03 1.577679931e+03 0.50 1.051273506e+03 1.198173974e+03 1.258842354e+03 1.265392725e+03 1.330331000e+03 1.399455615e+03 0.52 9.156999458e+02 1.067679039e+03 1.121081597e+03 1.126873732e+03 1.184047186e+03 1.244921890e+03 0.54 7.963982016e+02 9.539155089e+02 1.001045389e+03 1.006175561e+03 1.056646479e+03 1.110401689e+03 0.56 6.918007686e+02 8.543767172e+02 8.960707748e+02 9.006204058e+02 9.452836782e+02 9.928714902e+02 0.58 6.008082342e+02 7.669864029e+02 8.039532555e+02 8.079915874e+02 8.476048061e+02 8.898310901e+02 0.60 5.226082488e+02 6.900157603e+02 7.228581975e+02 7.264444565e+02 7.616519553e+02 7.992019831e+02 0.62 4.565114569e+02 6.220181233e+02 6.512511201e+02 6.544362836e+02 6.857884601e+02 7.192474960e+02 0.64 4.018144153e+02 5.617771996e+02 5.878424823e+02 5.906707257e+02 6.186396623e+02 6.485096057e+02 0.66 3.576974531e+02 5.082657943e+02 5.315436854e+02 5.340535665e+02 5.590457303e+02 5.857586430e+02 0.68 3.231626564e+02 4.606127094e+02 4.814318167e+02 4.836572356e+02 5.060238599e+02 5.299530225e+02 0.70 2.970139328e+02 4.180760617e+02 4.367212464e+02 4.386922105e+02 4.587378254e+02 4.802068204e+02 0.72 2.778776067e+02 3.800216663e+02 3.967406360e+02 3.984838463e+02 4.164733237e+02 4.357635360e+02 0.74 2.642583038e+02 3.459054421e+02 3.609142371e+02 3.624535105e+02 3.786179094e+02 3.959747499e+02 0.76 2.546210836e+02 3.152590274e+02 3.287466141e+02 3.301031504e+02 3.446445911e+02 3.602826844e+02 0.78 2.474869052e+02 2.876779677e+02 2.998101082e+02 3.010026126e+02 3.140983570e+02 3.282058861e+02 0.80 2.415245967e+02 2.628119754e+02 2.737345075e+02 2.747791778e+02 2.865850621e+02 2.993274214e+02 0.82 2.357745420e+02 2.403567071e+02 2.501982974e+02 2.511088889e+02 2.617622219e+02 2.732851028e+02 0.84 2.300616404e+02 2.200464436e+02 2.289207663e+02 2.297093364e+02 2.393313566e+02 2.497633627e+02 0.86 2.243871505e+02 2.016487105e+02 2.096563638e+02 2.103336322e+02 2.190315992e+02 2.284864728e+02 0.88 2.187523298e+02 1.849596679e+02 1.921898428e+02 1.927653584e+02 2.006343389e+02 2.092128618e+02 0.90 2.131584359e+02 1.698001229e+02 1.763320335e+02 1.768143176e+02 1.839387164e+02 1.917303397e+02 0.92 2.076067263e+02 1.560121612e+02 1.619162750e+02 1.623129446e+02 1.687678211e+02 1.758520657e+02 0.94 2.020984587e+02 1.434562942e+02 1.487953924e+02 1.491132676e+02 1.549654708e+02 1.614131366e+02 0.96 1.966348904e+02 1.320090326e+02 1.368391284e+02 1.370843247e+02 1.423934759e+02 1.482676869e+02 0.98 1.912172789e+02 1.215608178e+02 1.259319529e+02 1.261099617e+02 1.309293067e+02 1.362864178e+02 1.00 1.858468815e+02 1.120142525e+02 1.159711899e+02 1.160869489e+02 1.204640995e+02 1.253544856e+02 1.02 1.805249557e+02 1.032825826e+02 1.068654108e+02 1.069233657e+02 1.109009459e+02 1.153696896e+02 1.04 1.752527588e+02 9.528839111e+01 9.853305257e+01 9.853721062e+01 1.021534221e+02 1.062409150e+02 1.06 1.700315479e+02 8.796247148e+01 9.090122554e+01 9.085520292e+01 9.414432011e+01 9.788678925e+01 1.08 1.648625805e+02 8.124285256e+01 8.390468201e+01 8.381174553e+01 8.680455027e+01 9.023452051e+01 1.10 1.597471136e+02 7.507395334e+01 7.748492212e+01 7.734802591e+01 8.007218995e+01 8.321889046e+01 1.12 1.546864044e+02 6.940184792e+01 7.158854652e+01 7.140857455e+01 7.388851421e+01 7.677724437e+01 1.14 1.496817100e+02 6.416556967e+01 6.616519490e+01 6.593548175e+01 6.819131425e+01 7.084019705e+01 1.16 1.447342875e+02 5.931393739e+01 6.117099582e+01 6.087955709e+01 6.292828739e+01 6.534861764e+01 1.18 1.398453940e+02 5.480724409e+01 5.656799123e+01 5.620089628e+01 5.805779969e+01 6.025534417e+01 1.20 1.350162864e+02 5.061447635e+01 5.232278115e+01 5.186657243e+01 5.354619418e+01 5.552236349e+01 1.22 1.302482217e+02 4.671111432e+01 4.840554524e+01 4.784886270e+01 4.936570115e+01 5.111860794e+01 1.24 1.255424567e+02 4.307740340e+01 4.478934706e+01 4.412390099e+01 4.549283212e+01 4.701824647e+01 1.26 1.209002484e+02 3.969700875e+01 4.144964674e+01 4.067066792e+01 4.190716103e+01 4.319937034e+01 1.28 1.163228536e+02 3.655597964e+01 3.836396401e+01 3.747024627e+01 3.859041425e+01 3.964299271e+01 1.30 1.118115290e+02 3.364196396e+01 3.551164643e+01 3.450528354e+01 3.552580516e+01 3.633229651e+01 1.32 1.073675314e+02 3.094362367e+01 3.287370826e+01 3.175961476e+01 3.269756150e+01 3.325207735e+01 1.34 1.029921175e+02 2.845021112e+01 3.043271394e+01 2.921800760e+01 3.009060296e+01 3.038833886e+01 1.36 9.868654390e+01 2.615127333e+01 2.817268688e+01 2.686599940e+01 2.769033465e+01 2.772800548e+01 1.38 9.445206729e+01 2.403645698e+01 2.607902962e+01 2.468980181e+01 2.548252872e+01 2.525872517e+01 1.40 9.028994421e+01 2.209539232e+01 2.413844608e+01 2.267625376e+01 2.345327152e+01 2.296873963e+01 1.42 8.620143118e+01 2.031763765e+01 2.233885971e+01 2.081280752e+01 2.158895834e+01 2.084680432e+01 1.44 8.218778471e+01 1.869266981e+01 2.066932409e+01 1.908753596e+01 1.987632115e+01 1.888214420e+01 1.46 7.825026122e+01 1.720990849e+01 1.911992489e+01 1.748915181e+01 1.830247792e+01 1.706443420e+01 1.48 7.439011713e+01 1.585876471e+01 1.768167315e+01 1.600703193e+01 1.685499439e+01 1.538379584e+01 1.50 7.060860879e+01 1.462870549e+01 1.634639143e+01 1.463124153e+01 1.552195111e+01 1.383080335e+01 1.52 6.690699253e+01 1.350932834e+01 1.510659495e+01 1.335255433e+01 1.429201039e+01 1.239649435e+01 1.54 6.328652464e+01 1.249044038e+01 1.395537042e+01 1.216246639e+01 1.315447899e+01 1.107238139e+01 1.56 5.974846133e+01 1.156213807e+01 1.288625553e+01 1.105320177e+01 1.209936336e+01 9.850461712e+00 1.58 5.629405882e+01 1.071488420e+01 1.189312214e+01 1.001770911e+01 1.111741543e+01 8.723223488e+00 1.60 5.292457326e+01 9.939579704e+00 1.097006628e+01 9.049648939e+00 1.020016740e+01 7.683647314e+00 1.62 4.964126076e+01 9.227628225e+00 1.011130774e+01 8.143371782e+00 9.339954672e+00 6.725202429e+00 1.64 4.644537740e+01 8.570992029e+00 9.311101744e+00 7.293887483e+00 8.529926549e+00 5.841837448e+00 1.66 4.333817921e+01 7.962238157e+00 8.563664965e+00 6.496826674e+00 7.764044802e+00 5.027965740e+00 1.68 4.032092218e+01 7.394574118e+00 7.863117604e+00 5.748395245e+00 7.037070332e+00 4.278445838e+00 1.70 3.739486227e+01 6.861872680e+00 7.203442683e+00 5.045323014e+00 6.344538623e+00 3.588557446e+00 1.72 3.456125539e+01 6.358685621e+00 6.578463326e+00 4.384807825e+00 5.682724813e+00 2.953973748e+00 1.74 3.182135741e+01 5.880246525e+00 5.981838083e+00 3.764456435e+00 5.048599417e+00 2.370730825e+00 1.76 2.917642417e+01 5.422462943e+00 5.407073816e+00 3.182223581e+00 4.439775913e+00 1.835195041e+00 1.78 2.662771146e+01 4.981898431e+00 4.847554993e+00 2.636350706e+00 3.854451546e+00 1.344029314e+00 1.80 2.417647503e+01 4.555745218e+00 4.296587597e+00 2.125305813e+00 3.291342821e+00 8.941591809e-01 1.82 2.182397060e+01 4.141788397e+00 3.748697041e+00 1.647725971e+00 2.749617270e+00 4.827395676e-01 1.84 1.957145385e+01 3.738362748e+00 3.203686927e+00 1.202363962e+00 2.228823164e+00 1.071231385e-01 1.86 1.742018042e+01 3.344303424e+00 2.663367736e+00 7.880405388e-01 1.728818888e+00 -2.351689615e-01 1.88 1.537140590e+01 2.958891866e+00 2.130265542e+00 4.036036541e-01 1.249703706e+00 -5.464732411e-01 1.90 1.342638586e+01 2.581798376e+00 1.607486504e+00 4.789588183e-02 7.917516099e-01 -8.290062564e-01 1.92 1.158637582e+01 2.213022771e+00 1.098575073e+00 -2.802690022e-01 3.553498338e-01 -1.084882786e+00 1.94 9.852631269e+00 1.852834530e+00 6.073699130e-01 -5.821196549e-01 -5.905655227e-02 -1.316129471e+00 1.96 8.226407657e+00 1.501713646e+00 1.378618856e-01 -8.589308259e-01 -4.510128068e-01 -1.524693777e+00 1.98 6.708960395e+00 1.160293299e+00 -3.059412311e-01 -1.112017360e+00 -8.200945430e-01 -1.712448326e+00 2.00 5.301544860e+00 8.293051947e-01 -7.201382822e-01 -1.342719362e+00 -1.165939005e+00 -1.881190773e+00 2.02 4.005416388e+00 5.095283271e-01 -1.101041158e+00 -1.552379752e+00 -1.487948589e+00 -2.032639533e+00 2.04 2.821830284e+00 2.017418567e-01 -1.445258327e+00 -1.742315619e+00 -1.784341174e+00 -2.168425683e+00 2.06 1.752041813e+00 -9.331701377e-02 -1.749749264e+00 -1.913784576e+00 -2.053106793e+00 -2.290081305e+00 2.08 7.973062068e-01 -3.749888272e-01 -2.011843061e+00 -2.067946661e+00 -2.292329893e+00 -2.399024316e+00 2.10 -4.112134079e-02 -6.427192102e-01 -2.229213931e+00 -2.205821036e+00 -2.500167095e+00 -2.496539509e+00 2.12 -7.619856697e-01 -8.960337380e-01 -2.401058392e+00 -2.328249299e+00 -2.674755092e+00 -2.583666909e+00 2.14 -1.364031654e+00 -1.134377626e+00 -2.531708465e+00 -2.435975201e+00 -2.814063821e+00 -2.660976741e+00 2.16 -1.846004206e+00 -1.357165752e+00 -2.626760869e+00 -2.529735895e+00 -2.916222941e+00 -2.728935690e+00 2.18 -2.206648269e+00 -1.563813166e+00 -2.691812338e+00 -2.610268569e+00 -2.983962126e+00 -2.788010445e+00 2.20 -2.444708731e+00 -1.753735091e+00 -2.732459624e+00 -2.678310445e+00 -3.024611069e+00 -2.838667700e+00 2.22 -2.567170876e+00 -1.926346924e+00 -2.754299495e+00 -2.734598782e+00 -3.045699480e+00 -2.881374153e+00 2.24 -2.613979481e+00 -2.081064229e+00 -2.762928735e+00 -2.779870875e+00 -3.054757085e+00 -2.916596505e+00 2.26 -2.632319714e+00 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