# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = AlCo3 # 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 2025-07-01 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 2.547706245e+02 nan nan 0.98 2.329144589e+02 nan nan 1.00 2.131838754e+02 nan nan 1.02 1.950660399e+02 nan nan 1.04 1.787195857e+02 nan nan 1.06 1.636266006e+02 nan nan 1.08 1.498758889e+02 2.224323234e+02 nan 1.10 1.373214620e+02 2.052530833e+02 2.325387972e+02 1.12 1.256453708e+02 1.891271412e+02 2.145963500e+02 1.14 1.151932035e+02 1.741996527e+02 1.984776899e+02 1.16 1.053745764e+02 1.606697872e+02 1.832127053e+02 1.18 9.652052427e+01 1.481200108e+02 1.692547088e+02 1.20 8.818282339e+01 1.369799359e+02 1.564986147e+02 1.22 8.080256904e+01 1.262811483e+02 1.449159910e+02 1.24 7.374765609e+01 1.162987144e+02 1.339038843e+02 1.26 6.754948111e+01 1.072847892e+02 1.238242003e+02 1.28 6.157334715e+01 9.890574098e+01 1.144438365e+02 1.30 5.626128633e+01 9.117880090e+01 1.056484737e+02 1.32 5.124538339e+01 8.387604454e+01 9.768443895e+01 1.34 4.657041088e+01 7.742680340e+01 9.009664544e+01 1.36 4.237398305e+01 7.115282077e+01 8.317621883e+01 1.38 3.851052755e+01 6.537767571e+01 7.686796027e+01 1.40 3.485181120e+01 6.000830910e+01 7.080462348e+01 1.42 3.159493792e+01 5.503992077e+01 6.529352248e+01 1.44 2.865738982e+01 5.073184140e+01 6.007223947e+01 1.46 2.583148335e+01 4.667087189e+01 5.552955147e+01 1.48 2.318226567e+01 4.267615350e+01 5.100626216e+01 1.50 2.074629317e+01 3.897797064e+01 4.694364441e+01 1.52 1.867685462e+01 3.565825255e+01 4.303759525e+01 1.54 1.663924416e+01 3.267986807e+01 3.961668223e+01 1.56 1.472746601e+01 2.971308480e+01 3.623297942e+01 1.58 1.299948520e+01 2.700388263e+01 3.314958716e+01 1.60 1.138420977e+01 2.445733148e+01 3.023076792e+01 1.62 1.007308489e+01 2.209987094e+01 2.752229625e+01 1.64 8.696112735e+00 1.991763823e+01 2.521162312e+01 1.66 7.433722738e+00 1.799843053e+01 2.286003699e+01 1.68 6.277073646e+00 1.621993154e+01 2.067858998e+01 1.70 5.218028093e+00 1.447254643e+01 1.865518050e+01 1.72 4.329239161e+00 1.285662335e+01 1.677862649e+01 1.74 3.532417885e+00 1.147051724e+01 1.503858800e+01 1.76 2.727411810e+00 1.008037637e+01 1.373178948e+01 1.78 1.973619658e+00 8.796293506e+00 1.220928932e+01 1.80 1.286820632e+00 7.610717321e+00 1.079912878e+01 1.82 7.001074221e-01 6.651303378e+00 9.608169548e+00 1.84 1.290608317e-01 5.630639141e+00 8.390127009e+00 1.86 -3.482407086e-01 4.892248586e+00 7.263409339e+00 1.88 -7.209085219e-01 4.008729184e+00 6.221695475e+00 1.90 -1.102780601e+00 3.195786917e+00 5.367268015e+00 1.92 -1.499456133e+00 2.448422332e+00 4.469405185e+00 1.94 -1.856522993e+00 1.817105425e+00 3.640892578e+00 1.96 -2.177053385e+00 1.182922395e+00 2.876955020e+00 1.98 -2.463890426e+00 6.017060337e-01 2.173150588e+00 2.00 -2.719665797e+00 6.970506528e-02 1.637181714e+00 2.02 -2.946815941e+00 -4.165683199e-01 1.032913453e+00 2.04 -3.147596930e+00 -8.603579887e-01 4.778772958e-01 2.06 -3.266389700e+00 -1.264681818e+00 -3.131619519e-02 2.08 -3.392721024e+00 -1.632348218e+00 -4.978252138e-01 2.10 -3.518829143e+00 -1.875172775e+00 -8.171698023e-01 2.12 -3.630240934e+00 -2.134358243e+00 -1.164034771e+00 2.14 -3.735179594e+00 -2.417089109e+00 -1.530686490e+00 2.16 -3.823596052e+00 -2.671833504e+00 -1.864438898e+00 2.18 -3.896857490e+00 -2.900614497e+00 -2.167582535e+00 2.20 -3.956230402e+00 -3.105316838e+00 -2.442254504e+00 2.22 -4.002887964e+00 -3.287696654e+00 -2.690449116e+00 2.24 -3.982781527e+00 -3.339119800e+00 -2.886460086e+00 2.26 -4.011002771e+00 -3.489281894e+00 -3.089067581e+00 2.28 -4.029269602e+00 -3.621176173e+00 -3.270286726e+00 2.30 -4.038463232e+00 -3.736164025e+00 -3.431641280e+00 2.32 -4.001150668e+00 -3.835514450e+00 -3.574554131e+00 2.34 -3.896635599e+00 -3.920410362e+00 -3.700354076e+00 2.36 -3.892453702e+00 -3.991954427e+00 -3.810282130e+00 2.38 -3.881498284e+00 -4.051174498e+00 -3.905497383e+00 2.40 -3.864408835e+00 -4.099028657e+00 -3.783958660e+00 2.42 -3.841777116e+00 -4.136409906e+00 -3.866471657e+00 2.44 -3.814150537e+00 -4.055781273e+00 -3.936409633e+00 2.46 -3.782035298e+00 -4.081714236e+00 -3.994714125e+00 2.48 -3.745899300e+00 -4.099047024e+00 -4.042264583e+00 2.50 -3.706174855e+00 -4.108482470e+00 -4.079882405e+00 2.52 -3.663261198e+00 -4.008056112e+00 -4.108334712e+00 2.54 -3.617526832e+00 -4.010137243e+00 -4.128337864e+00 2.56 -3.569311696e+00 -4.005741364e+00 -4.140560744e+00 2.58 -3.518929187e+00 -3.995423589e+00 -4.108118245e+00 2.60 -3.466668043e+00 -3.979700923e+00 -4.108870638e+00 2.62 -3.412794087e+00 -3.959054742e+00 -4.103458097e+00 2.64 -3.357551857e+00 -3.933933128e+00 -4.092396420e+00 2.66 -3.301166113e+00 -3.904753039e+00 -4.076166871e+00 2.68 -3.243843251e+00 -3.871902342e+00 -4.055218381e+00 2.70 -3.166073864e+00 -3.835741706e+00 -4.029969618e+00 2.72 -3.108659207e+00 -3.796606383e+00 -4.000810914e+00 2.74 -3.050752490e+00 -3.726962157e+00 -3.968106072e+00 2.76 -2.927298738e+00 -3.684373023e+00 -3.932194058e+00 2.78 -2.872506082e+00 -3.639588374e+00 -3.893390577e+00 2.80 -2.817428832e+00 -3.592862420e+00 -3.851989562e+00 2.82 -2.741766647e+00 -3.544430952e+00 -3.700691944e+00 2.84 -2.687702185e+00 -3.494512538e+00 -3.660991510e+00 2.86 -2.633623713e+00 -3.443309651e+00 -3.619114140e+00 2.88 -2.579629961e+00 -3.391009722e+00 -3.575298914e+00 2.90 -2.525810657e+00 -3.337786124e+00 -3.529768186e+00 2.92 -2.472247175e+00 -3.283799097e+00 -3.482728640e+00 2.94 -2.419013145e+00 -3.229196606e+00 -3.434372277e+00 2.96 -2.366175010e+00 -3.174115158e+00 -3.384877349e+00 2.98 -2.313792558e+00 -3.118680549e+00 -3.334409225e+00 3.00 -2.261919409e+00 -3.063008583e+00 -3.283121210e+00 3.02 -2.210603472e+00 -3.007205728e+00 -3.231155316e+00 3.04 -2.159887373e+00 -2.951369742e+00 -3.178642975e+00 3.06 -2.109808851e+00 -2.895590254e+00 -3.125705718e+00 3.08 -2.060401127e+00 -2.839949307e+00 -3.072455809e+00 3.10 -2.011693251e+00 -2.784521875e+00 -3.018996839e+00 3.12 -1.963710420e+00 -2.729376333e+00 -2.965424282e+00 3.14 -1.916474284e+00 -2.674574910e+00 -2.911826023e+00 3.16 -1.841882318e+00 -2.584978457e+00 -2.802041054e+00 3.18 -1.797581823e+00 -2.532818377e+00 -2.751407396e+00 3.20 -1.754005572e+00 -2.481065687e+00 -2.700833361e+00 3.22 -1.711166994e+00 -2.429766510e+00 -2.650387864e+00 3.24 -1.669077018e+00 -2.378962446e+00 -2.600134075e+00 3.26 -1.627744272e+00 -2.328690885e+00 -2.550129793e+00 3.28 -1.587175276e+00 -2.278985295e+00 -2.500427797e+00 3.30 -1.547374612e+00 -2.124153380e+00 -2.451076173e+00 3.32 -1.508345095e+00 -2.080816340e+00 -2.402118627e+00 3.34 -1.470087917e+00 -2.037874825e+00 -2.353594775e+00 3.36 -1.432602794e+00 -1.995361230e+00 -2.305540411e+00 3.38 -1.356018756e+00 -1.953304675e+00 -2.257987770e+00 3.40 -1.322070689e+00 -1.911731224e+00 -2.210965765e+00 3.42 -1.288786338e+00 -1.870664093e+00 -2.164500211e+00 3.44 -1.256165685e+00 -1.830123855e+00 -2.118614042e+00 3.46 -1.224207562e+00 -1.790128615e+00 -2.073327507e+00 3.48 -1.192909752e+00 -1.750694190e+00 -2.028658355e+00 3.50 -1.129076055e+00 -1.711834269e+00 -1.984622016e+00 3.52 -1.100563740e+00 -1.673560566e+00 -1.941231759e+00 3.54 -1.072634598e+00 -1.635882962e+00 -1.898498852e+00 3.56 -1.045285940e+00 -1.598809641e+00 -1.856432702e+00 3.58 -1.018514323e+00 -1.562347215e+00 -1.815040993e+00 3.60 -9.923156198e-01 -1.526500842e+00 -1.774329815e+00 3.62 -9.666850853e-01 -1.491274335e+00 -1.734303781e+00 3.64 -9.238417352e-01 -1.456670267e+00 -1.587246608e+00 3.66 -9.000221488e-01 -1.422690069e+00 -1.553357029e+00 3.68 -8.767268621e-01 -1.389334119e+00 -1.519949326e+00 3.70 -8.539502164e-01 -1.356601825e+00 -1.487032384e+00 3.72 -8.316861655e-01 -1.324491709e+00 -1.454613713e+00 3.74 -8.099283187e-01 -1.293001478e+00 -1.422699547e+00 3.76 -7.886699808e-01 -1.262128097e+00 -1.391294934e+00 3.78 -7.679041899e-01 -1.231867847e+00 -1.360403821e+00 3.80 -7.476237512e-01 -1.202216395e+00 -1.330029136e+00 3.82 -7.278212691e-01 -1.173168842e+00 -1.300172859e+00 3.84 -7.084891772e-01 -1.144719784e+00 -1.270836100e+00 3.86 -6.896197650e-01 -1.059422309e+00 -1.242019157e+00 3.88 -6.712052033e-01 -1.034481488e+00 -1.213721588e+00 3.90 -6.532375677e-01 -1.010025859e+00 -1.185942258e+00 3.92 -6.357088598e-01 -9.860522522e-01 -1.158679407e+00 3.94 -6.186110269e-01 -9.625570574e-01 -1.131930691e+00 3.96 -6.019359802e-01 -9.395362588e-01 -1.105693235e+00 3.98 -5.856756118e-01 -9.169854747e-01 -1.079963679e+00 4.00 -5.698218093e-01 -8.948999923e-01 -1.054738218e+00 4.02 -5.543664701e-01 -8.732748012e-01 -1.030012645e+00 4.04 -5.393015144e-01 -8.521046238e-01 -1.005782385e+00 4.06 -5.246188964e-01 -8.313839442e-01 -9.820425314e-01 4.08 -5.103106153e-01 -8.111070352e-01 -9.587878784e-01 4.10 -4.963687244e-01 -7.912679830e-01 -9.360129520e-01 4.12 -4.827853402e-01 -7.718607106e-01 -9.137120379e-01 4.14 -4.695526504e-01 -7.528789997e-01 -8.918792082e-01 4.16 -4.566629202e-01 -7.343165104e-01 -8.705083467e-01 4.18 -4.441084995e-01 -7.161668006e-01 -8.495931711e-01 4.20 -4.318818281e-01 -6.984233428e-01 -8.291272557e-01 4.22 -4.199754406e-01 -6.810795405e-01 -8.091040508e-01 4.24 -4.083819712e-01 -6.641287433e-01 -7.895169014e-01 4.26 -3.970941572e-01 -6.475642605e-01 -7.703590652e-01 4.28 -3.861048429e-01 -6.313793744e-01 -7.516237282e-01 4.30 -3.754069819e-01 -6.155673513e-01 -7.333040199e-01 4.32 -3.649936398e-01 -6.001214534e-01 -7.153930273e-01 4.34 -3.548579965e-01 -5.850349483e-01 -6.978838076e-01 4.36 -3.449933478e-01 -5.703011182e-01 -6.807694005e-01 4.38 -3.353931065e-01 -5.559132690e-01 -6.640428389e-01 4.40 -3.260508039e-01 -5.418647374e-01 -6.476971591e-01 4.42 -3.169600903e-01 -5.281488985e-01 -6.317254106e-01 4.44 -3.081147354e-01 -5.147591721e-01 -6.161206643e-01 4.46 -2.995086289e-01 -5.016890290e-01 -5.723021486e-01 4.48 -2.911357803e-01 -4.889319957e-01 -5.584169610e-01 4.50 -2.829903186e-01 -4.764816602e-01 -5.448427390e-01 4.52 -2.750664925e-01 -4.643316755e-01 -5.315739549e-01 4.54 -2.673586691e-01 -4.524757644e-01 -5.186050933e-01 4.56 -2.598613339e-01 -4.409077223e-01 -5.059306576e-01 4.58 -2.525690896e-01 -4.296214210e-01 -4.935451759e-01 4.60 -2.454766554e-01 -4.186108111e-01 -4.814432065e-01 4.62 -2.385788656e-01 -4.078699249e-01 -4.696193426e-01 4.64 -2.318706688e-01 -3.973928778e-01 -4.580682174e-01 4.66 -2.253471263e-01 -3.871738711e-01 -4.467845078e-01 4.68 -2.190034113e-01 -3.772071930e-01 -4.357629384e-01 4.70 -2.128348067e-01 -3.674872201e-01 -4.249982846e-01 4.72 -2.068367043e-01 -3.580084183e-01 -4.144853764e-01 4.74 -2.010046031e-01 -3.487653443e-01 -4.042191004e-01 4.76 -1.953341076e-01 -3.397526456e-01 -3.941944028e-01 4.78 -1.898209260e-01 -3.309650615e-01 -3.844062915e-01 4.80 -1.844608690e-01 -3.223974231e-01 -3.748498382e-01 4.82 -1.792498479e-01 -3.140446536e-01 -3.655201797e-01 4.84 -1.741838727e-01 -3.059017686e-01 -3.564125201e-01 4.86 -1.692590507e-01 -2.979638755e-01 -3.475221315e-01 4.88 -1.644715843e-01 -2.902261735e-01 -3.388443556e-01 4.90 -1.598177699e-01 -2.826839535e-01 -3.303746044e-01 4.92 -1.552939954e-01 -2.753325972e-01 -3.221083609e-01 4.94 -1.508967390e-01 -2.681675770e-01 -3.140411799e-01 4.96 -1.466225671e-01 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