# 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 = Fe3Ni # 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 2.415098666e+02 nan nan 0.98 2.205394813e+02 nan nan 1.00 2.015905291e+02 nan nan 1.02 1.842187918e+02 nan nan 1.04 1.685297567e+02 nan nan 1.06 1.540753187e+02 nan nan 1.08 1.408328408e+02 2.104209602e+02 nan 1.10 1.288669749e+02 1.939238126e+02 2.201442925e+02 1.12 1.177070271e+02 1.784608547e+02 2.029368806e+02 1.14 1.077110131e+02 1.641667307e+02 1.874621028e+02 1.16 9.836338417e+01 1.512051172e+02 1.728399343e+02 1.18 8.989933891e+01 1.391889032e+02 1.594694292e+02 1.20 8.196019144e+01 1.285086063e+02 1.472371186e+02 1.22 7.490698091e+01 1.182773266e+02 1.361354667e+02 1.24 6.820338506e+01 1.087499974e+02 1.255994839e+02 1.26 6.227641965e+01 1.001413646e+02 1.159628550e+02 1.28 5.661503378e+01 9.214741583e+01 1.070006239e+02 1.30 5.159675315e+01 8.477137277e+01 9.860908810e+01 1.32 4.683512926e+01 7.782370847e+01 9.100765620e+01 1.34 4.241825137e+01 7.167616745e+01 8.378256743e+01 1.36 3.848675538e+01 6.571812089e+01 7.718589254e+01 1.38 3.483804406e+01 6.023565372e+01 7.117724056e+01 1.40 3.139156788e+01 5.514588333e+01 6.541830241e+01 1.42 2.831692967e+01 5.044066617e+01 6.017641792e+01 1.44 2.553695057e+01 4.634969333e+01 5.522635643e+01 1.46 2.286182032e+01 4.248919158e+01 5.090780697e+01 1.48 2.038521191e+01 3.872010828e+01 4.662838105e+01 1.50 1.811173324e+01 3.523478770e+01 4.277452297e+01 1.52 1.616365657e+01 3.210509933e+01 3.908731760e+01 1.54 1.428164058e+01 2.929606731e+01 3.585180952e+01 1.56 1.250747700e+01 2.651119160e+01 3.266524735e+01 1.58 1.090478387e+01 2.396798049e+01 2.975935605e+01 1.60 9.412160664e+00 2.158438980e+01 2.701746850e+01 1.62 8.203818845e+00 1.938106873e+01 2.447643383e+01 1.64 6.936992507e+00 1.734469022e+01 2.230301198e+01 1.66 5.778550132e+00 1.555297484e+01 2.010322448e+01 1.68 4.720022987e+00 1.389548779e+01 1.806558016e+01 1.70 3.753620694e+00 1.227350036e+01 1.617844992e+01 1.72 2.970349472e+00 1.077636613e+01 1.443109134e+01 1.74 2.225165704e+00 9.485587697e+00 1.281357391e+01 1.76 1.503512023e+00 8.203249024e+00 1.159089892e+01 1.78 8.239857801e-01 7.021360100e+00 1.018101501e+01 1.80 2.073600903e-01 5.932681870e+00 8.877707981e+00 1.82 -3.190463382e-01 5.051201931e+00 7.770141832e+00 1.84 -8.270554652e-01 4.118671928e+00 6.649471231e+00 1.86 -1.235640720e+00 3.442638727e+00 5.615203196e+00 1.88 -1.583139012e+00 2.639885550e+00 4.661282169e+00 1.90 -1.942154938e+00 1.903552713e+00 3.879036060e+00 1.92 -2.285068155e+00 1.228862021e+00 3.061131051e+00 1.94 -2.591344971e+00 6.577362250e-01 2.308576070e+00 1.96 -2.863896022e+00 8.947657465e-02 1.616805359e+00 1.98 -3.105412061e+00 -4.291893992e-01 9.815741105e-01 2.00 -3.318381044e+00 -9.018379117e-01 4.930756616e-01 2.02 -3.505103791e+00 -1.331791617e+00 -4.826653324e-02 2.04 -3.667708367e+00 -1.722138499e+00 -5.434945327e-01 2.06 -3.737375987e+00 -2.075749231e+00 -9.958403384e-01 2.08 -3.840491315e+00 -2.395293149e+00 -1.408313425e+00 2.10 -3.931487388e+00 -2.601855685e+00 -1.688113370e+00 2.12 -4.010554581e+00 -2.822370580e+00 -1.990148384e+00 2.14 -4.087401215e+00 -3.063137543e+00 -2.309426937e+00 2.16 -4.149309743e+00 -3.278072719e+00 -2.598154576e+00 2.18 -4.197563451e+00 -3.469091369e+00 -2.858506450e+00 2.20 -4.233349476e+00 -3.637976091e+00 -3.092510321e+00 2.22 -4.257765907e+00 -3.786386191e+00 -3.302056853e+00 2.24 -4.225451169e+00 -3.823111993e+00 -3.465720547e+00 2.26 -4.233471672e+00 -3.941846055e+00 -3.633209346e+00 2.28 -4.232701355e+00 -4.043938470e+00 -3.781059780e+00 2.30 -4.223960452e+00 -4.130670941e+00 -3.910711323e+00 2.32 -4.161080379e+00 -4.203236756e+00 -4.023506814e+00 2.34 -4.071821662e+00 -4.262746878e+00 -4.120699014e+00 2.36 -4.051442065e+00 -4.310235586e+00 -4.203456687e+00 2.38 -4.025241562e+00 -4.346665718e+00 -4.272870249e+00 2.40 -3.993810018e+00 -4.372933540e+00 -4.148146890e+00 2.42 -3.957692061e+00 -4.389873267e+00 -4.206259650e+00 2.44 -3.917390336e+00 -4.301113743e+00 -4.253037286e+00 2.46 -3.873368525e+00 -4.308143980e+00 -4.289362601e+00 2.48 -3.826054146e+00 -4.307587805e+00 -4.316059104e+00 2.50 -3.775841154e+00 -4.300098682e+00 -4.333894914e+00 2.52 -3.723092356e+00 -4.194410337e+00 -4.343586392e+00 2.54 -3.668141651e+00 -4.180808278e+00 -4.345801542e+00 2.56 -3.611296115e+00 -4.161585518e+00 -4.341163163e+00 2.58 -3.552837934e+00 -4.137255474e+00 -4.298666713e+00 2.60 -3.493026201e+00 -4.108295415e+00 -4.284022534e+00 2.62 -3.432098586e+00 -4.075148856e+00 -4.264024575e+00 2.64 -3.370272887e+00 -4.038227799e+00 -4.239150325e+00 2.66 -3.307748474e+00 -3.997914819e+00 -4.209844509e+00 2.68 -3.244707632e+00 -3.954565019e+00 -4.176521208e+00 2.70 -3.157172881e+00 -3.908507849e+00 -4.139565846e+00 2.72 -3.095042616e+00 -3.860048809e+00 -4.099337042e+00 2.74 -3.032764512e+00 -3.786036123e+00 -4.056168345e+00 2.76 -2.925183116e+00 -3.735002938e+00 -4.010369857e+00 2.78 -2.865691098e+00 -3.682272635e+00 -3.962229746e+00 2.80 -2.806248042e+00 -3.628074715e+00 -3.912015670e+00 2.82 -2.721956841e+00 -3.572621416e+00 -3.763559586e+00 2.84 -2.664364620e+00 -3.516108854e+00 -3.715512920e+00 2.86 -2.607029798e+00 -3.458718101e+00 -3.665762580e+00 2.88 -2.550035984e+00 -3.400616190e+00 -3.614525069e+00 2.90 -2.493458544e+00 -3.341957052e+00 -3.562001181e+00 2.92 -2.437365208e+00 -3.282882395e+00 -3.508377011e+00 2.94 -2.381816646e+00 -3.223522527e+00 -3.453824898e+00 2.96 -2.326866997e+00 -3.163997125e+00 -3.398504317e+00 2.98 -2.272564364e+00 -3.104415949e+00 -3.342562709e+00 3.00 -2.218951273e+00 -3.044879522e+00 -3.286136260e+00 3.02 -2.166065107e+00 -2.985479755e+00 -3.229350635e+00 3.04 -2.113938497e+00 -2.926300533e+00 -3.172321660e+00 3.06 -2.062599701e+00 -2.867418271e+00 -3.115155967e+00 3.08 -2.012072944e+00 -2.808902427e+00 -3.057951595e+00 3.10 -1.962378744e+00 -2.750815982e+00 -3.000798556e+00 3.12 -1.913534207e+00 -2.693215893e+00 -2.943779363e+00 3.14 -1.865553307e+00 -2.636153514e+00 -2.886969529e+00 3.16 -1.794768323e+00 -2.548143327e+00 -2.783080389e+00 3.18 -1.749776294e+00 -2.493929699e+00 -2.729351964e+00 3.20 -1.705609809e+00 -2.440293135e+00 -2.675894505e+00 3.22 -1.662275992e+00 -2.387270634e+00 -2.622766438e+00 3.24 -1.619779791e+00 -2.334895102e+00 -2.570020907e+00 3.26 -1.578124168e+00 -2.283195650e+00 -2.517706138e+00 3.28 -1.537310267e+00 -2.232197864e+00 -2.465865763e+00 3.30 -1.497337581e+00 -2.087205107e+00 -2.414539136e+00 3.32 -1.458204098e+00 -2.042395812e+00 -2.363761620e+00 3.34 -1.419906442e+00 -1.998111971e+00 -2.313564867e+00 3.36 -1.382440002e+00 -1.954379012e+00 -2.263977069e+00 3.38 -1.296952443e+00 -1.911219407e+00 -2.215023200e+00 3.40 -1.263499167e+00 -1.868652884e+00 -2.166725245e+00 3.42 -1.230742641e+00 -1.826696622e+00 -2.119102408e+00 3.44 -1.198679893e+00 -1.785365434e+00 -2.072171312e+00 3.46 -1.167306979e+00 -1.744671941e+00 -2.025946186e+00 3.48 -1.136619069e+00 -1.704626736e+00 -1.980439037e+00 3.50 -1.083530586e+00 -1.665238527e+00 -1.935659816e+00 3.52 -1.055285251e+00 -1.626514289e+00 -1.891616567e+00 3.54 -1.027654689e+00 -1.588459387e+00 -1.848315576e+00 3.56 -1.000633736e+00 -1.551077709e+00 -1.805761501e+00 3.58 -9.742166065e-01 -1.514371775e+00 -1.763957499e+00 3.60 -9.483969622e-01 -1.478342851e+00 -1.722905343e+00 3.62 -9.231679689e-01 -1.442991045e+00 -1.682605533e+00 3.64 -8.913366835e-01 -1.408315408e+00 -1.546506078e+00 3.66 -8.675963689e-01 -1.374314021e+00 -1.512071118e+00 3.68 -8.444087060e-01 -1.340984075e+00 -1.478187058e+00 3.70 -8.217660755e-01 -1.308321951e+00 -1.444859024e+00 3.72 -7.996605705e-01 -1.276323293e+00 -1.412090938e+00 3.74 -7.780840354e-01 -1.244983075e+00 -1.379885609e+00 3.76 -7.570281011e-01 -1.214295664e+00 -1.348244813e+00 3.78 -7.364842186e-01 -1.184254876e+00 -1.317169376e+00 3.80 -7.164436896e-01 -1.154854036e+00 -1.286659246e+00 3.82 -6.968976941e-01 -1.126086026e+00 -1.256713563e+00 3.84 -6.778373166e-01 -1.097943331e+00 -1.227330723e+00 3.86 -6.592535701e-01 -1.021996744e+00 -1.198508443e+00 3.88 -6.411374176e-01 -9.971457784e-01 -1.170243812e+00 3.90 -6.234797925e-01 -9.728079671e-01 -1.142533349e+00 3.92 -6.062716167e-01 -9.489783172e-01 -1.115373054e+00 3.94 -5.895038174e-01 -9.256514793e-01 -1.088758450e+00 3.96 -5.731673427e-01 -9.028217851e-01 -1.062684631e+00 3.98 -5.572531754e-01 -8.804832811e-01 -1.037146303e+00 4.00 -5.417523454e-01 -8.586297604e-01 -1.012137821e+00 4.02 -5.266559419e-01 -8.372547923e-01 -9.876532223e-01 4.04 -5.119551231e-01 -8.163517501e-01 -9.636862667e-01 4.06 -4.976411259e-01 -7.959138366e-01 -9.402304614e-01 4.08 -4.837052744e-01 -7.759341077e-01 -9.172790930e-01 4.10 -4.701389873e-01 -7.564054950e-01 -8.948252541e-01 4.12 -4.569337846e-01 -7.373208259e-01 -8.728618685e-01 4.14 -4.440812938e-01 -7.186728428e-01 -8.513817147e-01 4.16 -4.315732550e-01 -7.004542211e-01 -8.303774477e-01 4.18 -4.194015253e-01 -6.826575847e-01 -8.098416195e-01 4.20 -4.075580832e-01 -6.652755219e-01 -7.897666978e-01 4.22 -3.960350319e-01 -6.483005989e-01 -7.701450832e-01 4.24 -3.848246022e-01 -6.317253730e-01 -7.509691261e-01 4.26 -3.739191548e-01 -6.155424037e-01 -7.322311410e-01 4.28 -3.633111826e-01 -5.997442644e-01 -7.139234206e-01 4.30 -3.529933122e-01 -5.843235518e-01 -6.960382488e-01 4.32 -3.429583051e-01 -5.692728956e-01 -6.785679120e-01 4.34 -3.331990586e-01 -5.545849661e-01 -6.615047106e-01 4.36 -3.237086065e-01 -5.402524825e-01 -6.448409683e-01 4.38 -3.144801190e-01 -5.262682194e-01 -6.285690417e-01 4.40 -3.055069035e-01 -5.126250134e-01 -6.126813288e-01 4.42 -2.967824036e-01 -4.993157687e-01 -5.971702760e-01 4.44 -2.883001990e-01 -4.863334620e-01 -5.820283859e-01 4.46 -2.800540049e-01 -4.736711476e-01 -5.431676758e-01 4.48 -2.720376713e-01 -4.613219611e-01 -5.296338322e-01 4.50 -2.642451816e-01 -4.492791233e-01 -5.164141629e-01 4.52 -2.566706521e-01 -4.375359434e-01 -5.035026536e-01 4.54 -2.493083300e-01 -4.260858218e-01 -4.908933288e-01 4.56 -2.421525927e-01 -4.149222528e-01 -4.785802574e-01 4.58 -2.351979460e-01 -4.040388266e-01 -4.665575572e-01 4.60 -2.284390225e-01 -3.934292311e-01 -4.548193992e-01 4.62 -2.218705801e-01 -3.830872535e-01 -4.433600118e-01 4.64 -2.154875001e-01 -3.730067817e-01 -4.321736842e-01 4.66 -2.092847853e-01 -3.631818052e-01 -4.212547697e-01 4.68 -2.032575587e-01 -3.536064159e-01 -4.105976883e-01 4.70 -1.974010610e-01 -3.442748085e-01 -4.001969297e-01 4.72 -1.917106487e-01 -3.351812814e-01 -3.900470549e-01 4.74 -1.861817925e-01 -3.263202362e-01 -3.801426988e-01 4.76 -1.808100751e-01 -3.176861784e-01 -3.704785716e-01 4.78 -1.755911891e-01 -3.092737166e-01 -3.610494604e-01 4.80 -1.705209349e-01 -3.010775629e-01 -3.518502304e-01 4.82 -1.655952190e-01 -2.930925319e-01 -3.428758260e-01 4.84 -1.608100517e-01 -2.853135404e-01 -3.341212716e-01 4.86 -1.561615447e-01 -2.777356070e-01 -3.255816724e-01 4.88 -1.516459098e-01 -2.703538510e-01 -3.172522148e-01 4.90 -1.472594563e-01 -2.631634917e-01 -3.091281669e-01 4.92 -1.429985891e-01 -2.561598475e-01 -3.012048787e-01 4.94 -1.388598065e-01 -2.493383349e-01 -2.934777820e-01 4.96 -1.348396985e-01 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