# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Mendelev-M-I--Fe-Ni-Cr # implementation = EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000 # composition = Cr3Fe # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 nan nan nan 1.32 nan nan nan 1.34 nan nan nan 1.36 nan nan nan 1.38 nan nan nan 1.40 nan nan nan 1.42 nan nan nan 1.44 nan nan nan 1.46 nan nan nan 1.48 nan nan nan 1.50 nan nan nan 1.52 5.877572593e+03 nan nan 1.54 4.200920638e+03 nan nan 1.56 2.988427971e+03 nan nan 1.58 2.114591175e+03 nan nan 1.60 1.487298455e+03 nan nan 1.62 1.039026386e+03 nan nan 1.64 7.203516454e+02 nan nan 1.66 4.951659326e+02 5.725630625e+03 nan 1.68 3.371430144e+02 4.206732290e+03 nan 1.70 2.271338961e+02 3.078301835e+03 6.459038915e+03 1.72 1.512495124e+02 2.242406154e+03 4.794753345e+03 1.74 9.945190431e+01 1.625284697e+03 3.546468839e+03 1.76 6.451348514e+01 1.171427194e+03 2.612662647e+03 1.78 4.124813089e+01 8.390960937e+02 1.916205379e+03 1.80 2.595481566e+01 5.969497115e+02 1.398531347e+03 1.82 1.601170335e+01 4.214936511e+02 1.015199836e+03 1.84 9.607008554e+00 2.951534117e+02 7.325192826e+02 1.86 5.508956506e+00 2.048118747e+02 5.250145615e+02 1.88 2.889734738e+00 1.407003180e+02 3.734772617e+02 1.90 1.201994436e+00 9.557513281e+01 2.634551904e+02 1.92 9.011866379e-02 6.408938448e+01 1.841002813e+02 1.94 -6.724836759e-01 4.231408799e+01 1.272901430e+02 1.96 -1.226395635e+00 2.740327453e+01 8.695971473e+01 1.98 -1.657495058e+00 1.730517789e+01 5.859462211e+01 2.00 -2.019806588e+00 1.054919301e+01 3.884995826e+01 2.02 -2.334201739e+00 6.088849353e+00 2.526186958e+01 2.04 -2.608449732e+00 3.185533393e+00 1.602668987e+01 2.06 -2.845898154e+00 1.321463054e+00 9.833404319e+00 2.08 -3.049809115e+00 1.360771095e-01 5.737322062e+00 2.10 -3.225188214e+00 -6.199607266e-01 3.064414525e+00 2.12 -3.380466170e+00 -1.116356746e+00 1.338652516e+00 2.14 -3.520888633e+00 -1.465228709e+00 2.265684402e-01 2.16 -3.646922677e+00 -1.737665445e+00 -5.053162736e-01 2.18 -3.756929511e+00 -1.976117850e+00 -1.016804459e+00 2.20 -3.847570291e+00 -2.203171889e+00 -1.406077652e+00 2.22 -3.916641180e+00 -2.434740226e+00 -1.738274474e+00 2.24 -3.964862321e+00 -2.675605030e+00 -2.047758266e+00 2.26 -3.996809248e+00 -2.917649884e+00 -2.341191300e+00 2.28 -4.020329600e+00 -3.151048397e+00 -2.616873555e+00 2.30 -4.040243372e+00 -3.366555580e+00 -2.868813349e+00 2.32 -4.055325153e+00 -3.556706018e+00 -3.090429313e+00 2.34 -4.061083812e+00 -3.716084394e+00 -3.276982581e+00 2.36 -4.053654563e+00 -3.841314983e+00 -3.426734426e+00 2.38 -4.032300574e+00 -3.931447200e+00 -3.541199243e+00 2.40 -3.998827658e+00 -3.987784944e+00 -3.624847557e+00 2.42 -3.956688598e+00 -4.013485324e+00 -3.684550774e+00 2.44 -3.909256523e+00 -4.013032341e+00 -3.727601996e+00 2.46 -3.858830146e+00 -3.992392254e+00 -3.759832755e+00 2.48 -3.806661150e+00 -3.960059801e+00 -3.785247040e+00 2.50 -3.752938421e+00 -3.925264115e+00 -3.806677104e+00 2.52 -3.696531157e+00 -3.896348487e+00 -3.827782626e+00 2.54 -3.635563708e+00 -3.879384833e+00 -3.853040006e+00 2.56 -3.568992465e+00 -3.874021268e+00 -3.886255073e+00 2.58 -3.497412799e+00 -3.876721489e+00 -3.927063690e+00 2.60 -3.422530704e+00 -3.883107592e+00 -3.970676186e+00 2.62 -3.345644385e+00 -3.888847695e+00 -4.009574205e+00 2.64 -3.267885446e+00 -3.890136899e+00 -4.036243665e+00 2.66 -3.190779168e+00 -3.883850869e+00 -4.045622968e+00 2.68 -3.116721195e+00 -3.867857811e+00 -4.035248414e+00 2.70 -3.048031777e+00 -3.841240236e+00 -4.004917764e+00 2.72 -2.985640597e+00 -3.804307234e+00 -3.956257675e+00 2.74 -2.929449918e+00 -3.758348951e+00 -3.892765327e+00 2.76 -2.878751169e+00 -3.705309176e+00 -3.820152893e+00 2.78 -2.832488438e+00 -3.647423879e+00 -3.746642104e+00 2.80 -2.789454067e+00 -3.586715967e+00 -3.681589947e+00 2.82 -2.748528212e+00 -3.524419272e+00 -3.630170781e+00 2.84 -2.708839397e+00 -3.461192658e+00 -3.592954841e+00 2.86 -2.669858322e+00 -3.397700318e+00 -3.568017852e+00 2.88 -2.631365440e+00 -3.334601542e+00 -3.552012128e+00 2.90 -2.593391853e+00 -3.272527168e+00 -3.540940523e+00 2.92 -2.556152461e+00 -3.212125811e+00 -3.530796418e+00 2.94 -2.519976677e+00 -3.154175185e+00 -3.518039787e+00 2.96 -2.485239864e+00 -3.099673043e+00 -3.499854682e+00 2.98 -2.452296471e+00 -3.049308988e+00 -3.474269395e+00 3.00 -2.421413712e+00 -3.003027859e+00 -3.440159143e+00 3.02 -2.392706557e+00 -2.960200387e+00 -3.397145814e+00 3.04 -2.366119861e+00 -2.919869819e+00 -3.345499559e+00 3.06 -2.341461695e+00 -2.881030119e+00 -3.286062348e+00 3.08 -2.318435332e+00 -2.842826264e+00 -3.220120102e+00 3.10 -2.296680257e+00 -2.804677641e+00 -3.149262823e+00 3.12 -2.275818824e+00 -2.766305714e+00 -3.075242577e+00 3.14 -2.255500868e+00 -2.727639314e+00 -2.999837952e+00 3.16 -2.235436972e+00 -2.688631421e+00 -2.924732375e+00 3.18 -2.215409452e+00 -2.649262993e+00 -2.851412244e+00 3.20 -2.195248489e+00 -2.609600222e+00 -2.781089370e+00 3.22 -2.174761257e+00 -2.569786103e+00 -2.714650805e+00 3.24 -2.153686057e+00 -2.530024653e+00 -2.652637663e+00 3.26 -2.131786263e+00 -2.490562175e+00 -2.595253127e+00 3.28 -2.108897744e+00 -2.451667214e+00 -2.542398373e+00 3.30 -2.084939236e+00 -2.413610597e+00 -2.493733708e+00 3.32 -2.059907104e+00 -2.376646795e+00 -2.448760776e+00 3.34 -2.033849633e+00 -2.340997577e+00 -2.406920251e+00 3.36 -2.006830229e+00 -2.306838766e+00 -2.367697969e+00 3.38 -1.978917284e+00 -2.274290669e+00 -2.330731060e+00 3.40 -1.950183026e+00 -2.243412564e+00 -2.295903995e+00 3.42 -1.920701695e+00 -2.214201394e+00 -2.263372997e+00 3.44 -1.890550322e+00 -2.186594637e+00 -2.233358963e+00 3.46 -1.859813064e+00 -2.160477095e+00 -2.206013612e+00 3.48 -1.828589481e+00 -2.135691137e+00 -2.181343880e+00 3.50 -1.796994364e+00 -2.112049732e+00 -2.159172164e+00 3.52 -1.765143194e+00 -2.089351386e+00 -2.139227600e+00 3.54 -1.733146213e+00 -2.067395904e+00 -2.121191239e+00 3.56 -1.701104923e+00 -2.045999672e+00 -2.104719799e+00 3.58 -1.669108791e+00 -2.025008960e+00 -2.089464533e+00 3.60 -1.637232260e+00 -2.004309527e+00 -2.075085817e+00 3.62 -1.605532196e+00 -1.983830619e+00 -2.061263983e+00 3.64 -1.574045907e+00 -1.963541202e+00 -2.047706923e+00 3.66 -1.542789853e+00 -1.943436124e+00 -2.034154932e+00 3.68 -1.511759228e+00 -1.923509652e+00 -2.020383239e+00 3.70 -1.480928535e+00 -1.903723709e+00 -2.006202654e+00 3.72 -1.450253345e+00 -1.884015897e+00 -1.991458693e+00 3.74 -1.419673408e+00 -1.864314024e+00 -1.976029551e+00 3.76 -1.389117287e+00 -1.844536241e+00 -1.959823243e+00 3.78 -1.358508722e+00 -1.824590713e+00 -1.942774195e+00 3.80 -1.327774909e+00 -1.804375587e+00 -1.924839543e+00 3.82 -1.296856916e+00 -1.783779314e+00 -1.905995379e+00 3.84 -1.265722435e+00 -1.762681406e+00 -1.886233123e+00 3.86 -1.234381117e+00 -1.740953713e+00 -1.865556196e+00 3.88 -1.202902699e+00 -1.718462292e+00 -1.843977117e+00 3.90 -1.171438188e+00 -1.695069990e+00 -1.821515133e+00 3.92 -1.140244332e+00 -1.670639794e+00 -1.798194448e+00 3.94 -1.109691260e+00 -1.645039098e+00 -1.774043076e+00 3.96 -1.080096934e+00 -1.618144956e+00 -1.749092349e+00 3.98 -1.051588311e+00 -1.589850449e+00 -1.723377030e+00 4.00 -1.024130768e+00 -1.560072291e+00 -1.696935984e+00 4.02 -9.975674499e-01 -1.528759777e+00 -1.669813318e+00 4.04 -9.716540869e-01 -1.495905213e+00 -1.642059869e+00 4.06 -9.460898903e-01 -1.461555969e+00 -1.613734888e+00 4.08 -9.205450367e-01 -1.425828262e+00 -1.584907730e+00 4.10 -8.946852898e-01 -1.388922854e+00 -1.555659346e+00 4.12 -8.681942645e-01 -1.351142773e+00 -1.526083322e+00 4.14 -8.407938279e-01 -1.312913240e+00 -1.496286189e+00 4.16 -8.122631466e-01 -1.274803927e+00 -1.466386694e+00 4.18 -7.824568017e-01 -1.237519277e+00 -1.436513691e+00 4.20 -7.513224693e-01 -1.201682704e+00 -1.406802279e+00 4.22 -7.189185606e-01 -1.167702356e+00 -1.377387781e+00 4.24 -6.854322865e-01 -1.135803376e+00 -1.348397130e+00 4.26 -6.511985169e-01 -1.106064927e+00 -1.319937732e+00 4.28 -6.167197934e-01 -1.078452226e+00 -1.292092882e+00 4.30 -5.826876834e-01 -1.052844010e+00 -1.264925999e+00 4.32 -5.499369066e-01 -1.029055859e+00 -1.238479790e+00 4.34 -5.191671214e-01 -1.006859751e+00 -1.212774565e+00 4.36 -4.908391232e-01 -9.860002611e-01 -1.187806881e+00 4.38 -4.652136750e-01 -9.662077594e-01 -1.163548581e+00 4.40 -4.423892439e-01 -9.472089768e-01 -1.139946285e+00 4.42 -4.223348704e-01 -9.287352861e-01 -1.116921390e+00 4.44 -4.049187593e-01 -9.105290314e-01 -1.094370631e+00 4.46 -3.899333225e-01 -8.923482278e-01 -1.072167291e+00 4.48 -3.771158891e-01 -8.739699489e-01 -1.050163091e+00 4.50 -3.661669934e-01 -8.551926889e-01 -1.028190859e+00 4.52 -3.567663022e-01 -8.358379938e-01 -1.006068034e+00 4.54 -3.485853789e-01 -8.157516221e-01 -9.836010785e-01 4.56 -3.412983567e-01 -7.948045023e-01 -9.605908708e-01 4.58 -3.345936837e-01 -7.728937485e-01 -9.368391666e-01 4.60 -3.281747899e-01 -7.499439362e-01 -9.121561885e-01 4.62 -3.217814903e-01 -7.259088608e-01 -8.863694627e-01 4.64 -3.151580162e-01 -7.007740389e-01 -8.593339220e-01 4.66 -3.080726622e-01 -6.745600935e-01 -8.309434533e-01 4.68 -3.004908104e-01 -6.473272213e-01 -8.011438547e-01 4.70 -2.923813469e-01 -6.191809144e-01 -7.699474514e-01 4.72 -2.837562697e-01 -5.902790951e-01 -7.374493073e-01 4.74 -2.743319846e-01 -5.608408209e-01 -7.038452064e-01 4.76 -2.637815217e-01 -5.311567579e-01 -6.694515244e-01 4.78 -2.521783105e-01 -5.016012523e-01 -6.347270250e-01 4.80 -2.397712712e-01 -4.726463131e-01 -6.002967256e-01 4.82 -2.268440311e-01 -4.448636894e-01 -5.669559592e-01 4.84 -2.138177011e-01 -4.187832138e-01 -5.354596304e-01 4.86 -2.011349722e-01 -3.947593945e-01 -5.063228707e-01 4.88 -1.887717855e-01 -3.729888765e-01 -4.798436620e-01 4.90 -1.766588397e-01 -3.535353481e-01 -4.561430493e-01 4.92 -1.647743727e-01 -3.363584440e-01 -4.352010149e-01 4.94 -1.531286329e-01 -3.213333632e-01 -4.168885385e-01 4.96 -1.417564057e-01 -3.082742895e-01 -4.009940175e-01 4.98 -1.307058045e-01 -2.969516537e-01 -3.872487318e-01 5.00 -1.200202344e-01 -2.871073321e-01 -3.753475630e-01 5.02 -1.097382152e-01 -2.784729007e-01 -3.649638547e-01 5.04 -1.000093934e-01 -2.707799906e-01 -3.557705728e-01 5.06 -9.094013587e-02 -2.637483877e-01 -3.474423250e-01 5.08 -8.258333079e-02 -2.571066811e-01 -3.396771618e-01 5.10 -7.495070726e-02 -2.506207187e-01 -3.321966875e-01 5.12 -6.802307958e-02 -2.442402389e-01 -3.247426662e-01 5.14 -6.175896263e-02 -2.380326608e-01 -3.171163637e-01 5.16 -5.610188951e-02 -2.320411063e-01 -3.090810010e-01 5.18 -5.098666735e-02 -2.261537535e-01 -3.004048997e-01 5.20 -4.634472780e-02 -2.199391480e-01 -2.911908008e-01 5.22 -4.210866270e-02 -2.128767698e-01 -2.816331801e-01 5.24 -3.821597995e-02 -2.046469919e-01 -2.719781404e-01 5.26 -3.461206778e-02 -1.951295759e-01 -2.621154659e-01 5.28 -3.125231593e-02 -1.843367993e-01 -2.514733053e-01 5.30 -2.810330762e-02 -1.724005701e-01 -2.395406830e-01 5.32 -2.514296641e-02 -1.596254230e-01 -2.261076876e-01 5.34 -2.235951564e-02 -1.464376820e-01 -2.112006879e-01 5.36 -1.974908420e-02 -1.331986937e-01 -1.949693612e-01 5.38 -1.731181079e-02 -1.201732903e-01 -1.778162055e-01 5.40 -1.504798637e-02 -1.075544371e-01 -1.603410871e-01 5.42 -1.295751004e-02 -9.548174769e-02 -1.430658526e-01 5.44 -1.103988163e-02 -8.405516651e-02 -1.263615287e-01 5.46 -9.293968891e-03 -7.334489839e-02 -1.104853598e-01 5.48 -7.717800036e-03 -6.339846817e-02 -9.561066309e-02 5.50 -6.308391406e-03 -5.424562994e-02 -8.184866283e-02 5.52 -5.061616040e-03 -4.590170552e-02 -6.926423818e-02 5.54 -3.972117445e-03 -3.836981529e-02 -5.788713169e-02 5.56 -3.033271088e-03 -3.164236634e-02 -4.771984914e-02 5.58 -2.237194632e-03 -2.570208153e-02 -3.874321551e-02 5.60 -1.574806587e-03 -2.052278499e-02 -3.092033390e-02 5.62 -1.035931672e-03 -1.607010373e-02 -2.419951540e-02 5.64 -6.094500251e-04 -1.230219841e-02 -1.851660236e-02 5.66 -2.834861840e-04 -9.170598504e-03 -1.379698864e-02 5.68 -4.563267609e-05 -6.621185583e-03 -9.957545836e-03 5.70 1.167980089e-04 -4.595342844e-03 -6.908587487e-03 5.72 2.165003321e-04 -3.031267757e-03 -4.555942423e-03 5.74 2.658897630e-04 -1.865427382e-03 -2.803159905e-03 5.76 2.768132231e-04 -1.034121344e-03 -1.553830555e-03 5.78 2.602661174e-04 -4.751053398e-04 -7.139764713e-04 5.80 2.261271035e-04 -1.292177359e-04 -1.944394783e-04 5.82 1.829226853e-04 5.805710056e-05 8.682322255e-05 5.84 1.376346482e-04 1.351629480e-04 2.026428214e-04 5.86 9.556427915e-05 1.432646406e-04 2.148623188e-04 5.88 6.026823556e-05 1.153475485e-04 1.730113152e-04 5.90 3.358184902e-05 7.571756386e-05 1.135740395e-04 5.92 1.574656677e-05 4.000140832e-05 6.000172921e-05 5.94 5.659155024e-06 1.575279454e-05 2.362915381e-05 5.96 1.261206431e-06 3.775612637e-06 5.663417488e-06 5.98 8.841463471e-08 2.809067435e-07 4.213601096e-07 6.00 -7.241108377e-13 -2.067172869e-12 -2.899654034e-12