# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Co3Fe # 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 2024-04-11 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 1.715070999e+02 nan nan 1.16 1.553987077e+02 nan nan 1.18 1.407643014e+02 nan nan 1.20 1.274625384e+02 nan nan 1.22 1.153661766e+02 nan nan 1.24 1.043612062e+02 nan nan 1.26 9.434571602e+01 nan nan 1.28 8.522819109e+01 1.442474619e+02 1.696433931e+02 1.30 7.692664820e+01 1.316545221e+02 1.552828449e+02 1.32 6.936800484e+01 1.201143083e+02 1.421008191e+02 1.34 6.248638670e+01 1.095331416e+02 1.299977058e+02 1.36 5.622115962e+01 9.982732514e+01 1.188830907e+02 1.38 5.051616854e+01 9.092245878e+01 1.086735736e+02 1.40 4.532012084e+01 8.275196938e+01 9.929218439e+01 1.42 4.058678022e+01 7.525547938e+01 9.066899839e+01 1.44 3.627432654e+01 6.837731383e+01 8.274113760e+01 1.46 3.234452738e+01 6.206578783e+01 7.545162527e+01 1.48 2.876242460e+01 5.627353169e+01 6.874818164e+01 1.50 2.549893901e+01 5.095796650e+01 6.258262328e+01 1.52 2.252757647e+01 4.608094866e+01 5.691073655e+01 1.54 1.982367607e+01 4.160779057e+01 5.169230389e+01 1.56 1.736538221e+01 3.750646701e+01 4.689092404e+01 1.58 1.513283245e+01 3.374725721e+01 4.247355106e+01 1.60 1.310749940e+01 3.030255664e+01 3.841001487e+01 1.62 1.127183854e+01 2.714686690e+01 3.467264471e+01 1.64 9.609287673e+00 2.425856238e+01 3.123589026e+01 1.66 8.104498254e+00 2.161577399e+01 2.807594257e+01 1.68 6.743544976e+00 1.919743312e+01 2.517243998e+01 1.70 5.513936462e+00 1.698428261e+01 2.250646271e+01 1.72 4.404430897e+00 1.495893236e+01 2.005947098e+01 1.74 3.404763481e+00 1.310567867e+01 1.781465370e+01 1.76 2.505400022e+00 1.141025501e+01 1.575664241e+01 1.78 1.697380370e+00 9.859705480e+00 1.387127098e+01 1.80 9.722479026e-01 8.442376976e+00 1.214540952e+01 1.82 3.220349294e-01 7.147883435e+00 1.056680121e+01 1.84 -2.606990696e-01 5.966945832e+00 9.123857864e+00 1.86 -7.827720005e-01 4.891141964e+00 7.805466103e+00 1.88 -1.250270682e+00 3.912649340e+00 6.600923851e+00 1.90 -1.668503348e+00 3.024035124e+00 5.500086788e+00 1.92 -2.042045293e+00 2.218120491e+00 4.493653675e+00 1.94 -2.374846798e+00 1.487939683e+00 3.573393720e+00 1.96 -2.670353494e+00 8.267935253e-01 2.732170166e+00 1.98 -2.931612146e+00 2.283618643e-01 1.963781415e+00 2.00 -3.161358986e+00 -3.131763290e-01 1.262739124e+00 2.02 -3.362093809e+00 -8.030573084e-01 6.240811859e-01 2.04 -3.536140045e+00 -1.245908470e+00 4.325529817e-02 2.06 -3.685690046e+00 -1.645790362e+00 -4.839359529e-01 2.08 -3.812836879e+00 -2.006281812e+00 -9.613588002e-01 2.10 -3.919594267e+00 -2.330575000e+00 -1.392572258e+00 2.12 -4.007903752e+00 -2.621557835e+00 -1.780869061e+00 2.14 -4.079627203e+00 -2.881874323e+00 -2.129332888e+00 2.16 -4.136541139e+00 -3.113960865e+00 -2.440901985e+00 2.18 -4.180459857e+00 -3.320061829e+00 -2.718426351e+00 2.20 -4.212717041e+00 -3.502234080e+00 -2.964703058e+00 2.22 -4.234443855e+00 -3.662352745e+00 -3.182474116e+00 2.24 -4.246683279e+00 -3.802125523e+00 -3.374381765e+00 2.26 -4.250376922e+00 -3.923114478e+00 -3.542897794e+00 2.28 -4.246361598e+00 -4.026759446e+00 -3.690261096e+00 2.30 -4.235344437e+00 -4.114397669e+00 -3.818452502e+00 2.32 -4.217681080e+00 -4.187277117e+00 -3.929210914e+00 2.34 -4.193605919e+00 -4.246563618e+00 -4.024072834e+00 2.36 -4.163402799e+00 -4.293374117e+00 -4.104414131e+00 2.38 -4.127392865e+00 -4.328856642e+00 -4.171483196e+00 2.40 -4.085922520e+00 -4.353790496e+00 -4.226425305e+00 2.42 -4.039353818e+00 -4.368880828e+00 -4.270311784e+00 2.44 -3.988035031e+00 -4.374823605e+00 -4.304286318e+00 2.46 -3.932178798e+00 -4.372307830e+00 -4.329185945e+00 2.48 -3.871976578e+00 -4.362018535e+00 -4.345741243e+00 2.50 -3.807650819e+00 -4.344634313e+00 -4.354673710e+00 2.52 -3.739435558e+00 -4.320673845e+00 -4.356672608e+00 2.54 -3.667563016e+00 -4.290490070e+00 -4.352372441e+00 2.56 -3.592262273e+00 -4.254509153e+00 -4.342339172e+00 2.58 -3.513771732e+00 -4.213234408e+00 -4.327020508e+00 2.60 -3.432360702e+00 -4.167222436e+00 -4.306594437e+00 2.62 -3.348350429e+00 -4.117045776e+00 -4.281193982e+00 2.64 -3.262123610e+00 -4.063248070e+00 -4.250980319e+00 2.66 -3.174114938e+00 -4.006244739e+00 -4.216137051e+00 2.68 -3.084782898e+00 -3.946264347e+00 -4.176863936e+00 2.70 -2.994572053e+00 -3.883485317e+00 -4.133370734e+00 2.72 -2.903879832e+00 -3.818061779e+00 -4.085869450e+00 2.74 -2.813038909e+00 -3.750138576e+00 -4.034492564e+00 2.76 -2.722317713e+00 -3.679866035e+00 -3.979310433e+00 2.78 -2.631933800e+00 -3.607410306e+00 -3.920436821e+00 2.80 -2.542072342e+00 -3.532958091e+00 -3.858040619e+00 2.82 -2.452904218e+00 -3.456716319e+00 -3.792353967e+00 2.84 -2.364601331e+00 -3.378908025e+00 -3.723676448e+00 2.86 -2.277348390e+00 -3.299765900e+00 -3.652369376e+00 2.88 -2.191350398e+00 -3.219525079e+00 -3.578836588e+00 2.90 -2.106834782e+00 -3.138416751e+00 -3.503493476e+00 2.92 -2.024047463e+00 -3.056664058e+00 -3.426731749e+00 2.94 -1.943243151e+00 -2.974481242e+00 -3.348890077e+00 2.96 -1.864671384e+00 -2.892076102e+00 -3.270238318e+00 2.98 -1.788560698e+00 -2.809654663e+00 -3.190977252e+00 3.00 -1.715103729e+00 -2.727425739e+00 -3.111250073e+00 3.02 -1.644445668e+00 -2.645602588e+00 -3.031159496e+00 3.04 -1.576677700e+00 -2.564399377e+00 -2.950784942e+00 3.06 -1.511835929e+00 -2.484022173e+00 -2.870196704e+00 3.08 -1.449905230e+00 -2.404656714e+00 -2.789466232e+00 3.10 -1.390826721e+00 -2.326457196e+00 -2.708673104e+00 3.12 -1.334507266e+00 -2.249540249e+00 -2.627909693e+00 3.14 -1.280829464e+00 -2.173986352e+00 -2.547284417e+00 3.16 -1.229660969e+00 -2.099848003e+00 -2.466924046e+00 3.18 -1.180862409e+00 -2.027161865e+00 -2.386975112e+00 3.20 -1.134293606e+00 -1.955961347e+00 -2.307604187e+00 3.22 -1.089818092e+00 -1.886286754e+00 -2.228996616e+00 3.24 -1.047306108e+00 -1.818191386e+00 -2.151353357e+00 3.26 -1.006636369e+00 -1.751743158e+00 -2.074885762e+00 3.28 -9.676968859e-01 -1.687022253e+00 -1.999808466e+00 3.30 -9.303850986e-01 -1.624115812e+00 -1.926330948e+00 3.32 -8.946075570e-01 -1.563110917e+00 -1.854648630e+00 3.34 -8.602793122e-01 -1.504087134e+00 -1.784934626e+00 3.36 -8.273231534e-01 -1.447109747e+00 -1.717333206e+00 3.38 -7.956687787e-01 -1.392224515e+00 -1.651955843e+00 3.40 -7.652519638e-01 -1.339454465e+00 -1.588880224e+00 3.42 -7.360137663e-01 -1.288798835e+00 -1.528152121e+00 3.44 -7.078997866e-01 -1.240233979e+00 -1.469789420e+00 3.46 -6.808594963e-01 -1.193715807e+00 -1.413787253e+00 3.48 -6.548456350e-01 -1.149183233e+00 -1.360123005e+00 3.50 -6.298136749e-01 -1.106562093e+00 -1.308760165e+00 3.52 -6.057213476e-01 -1.065769083e+00 -1.259650469e+00 3.54 -5.825282287e-01 -1.026715379e+00 -1.212734441e+00 3.56 -5.601953766e-01 -9.893097368e-01 -1.167941026e+00 3.58 -5.386850227e-01 -9.534609944e-01 -1.125187256e+00 3.60 -5.179603107e-01 -9.190799727e-01 -1.084378823e+00 3.62 -4.979850838e-01 -8.860808446e-01 -1.045411921e+00 3.64 -4.787237190e-01 -8.543820631e-01 -1.008176280e+00 3.66 -4.601410065e-01 -8.239069452e-01 -9.725588844e-01 3.68 -4.422020703e-01 -7.945839984e-01 -9.384477652e-01 3.70 -4.248723301e-01 -7.663470572e-01 -9.057353464e-01 3.72 -4.081174990e-01 -7.391352743e-01 -8.743210203e-01 3.74 -3.919036202e-01 -7.128929928e-01 -8.441128390e-01 3.76 -3.761971490e-01 -6.875695132e-01 -8.150283672e-01 3.78 -3.609650943e-01 -6.631187633e-01 -7.869948305e-01 3.80 -3.461752450e-01 -6.394988816e-01 -7.599487257e-01 3.82 -3.317965143e-01 -6.166717294e-01 -7.338350617e-01 3.84 -3.177994391e-01 -5.946023548e-01 -7.086063771e-01 3.86 -3.041568695e-01 -5.732584353e-01 -6.842216595e-01 3.88 -2.908448655e-01 -5.526097298e-01 -6.606452606e-01 3.90 -2.778437888e-01 -5.326275660e-01 -6.378458759e-01 3.92 -2.651395238e-01 -5.132843856e-01 -6.157956350e-01 3.94 -2.527247001e-01 -4.945533674e-01 -5.944693236e-01 3.96 -2.405997140e-01 -4.764081362e-01 -5.738437455e-01 3.98 -2.287732948e-01 -4.588225689e-01 -5.538972171e-01 4.00 -2.172623399e-01 -4.417707041e-01 -5.346091817e-01 4.02 -2.060908006e-01 -4.252267601e-01 -5.159599240e-01 4.04 -1.952875360e-01 -4.091652730e-01 -4.979303664e-01 4.06 -1.848832598e-01 -3.935613609e-01 -4.805019287e-01 4.08 -1.749069347e-01 -3.783911262e-01 -4.636564346e-01 4.10 -1.653821473e-01 -3.636321983e-01 -4.473760519e-01 4.12 -1.563240490e-01 -3.492644122e-01 -4.316432551e-01 4.14 -1.477373539e-01 -3.352705953e-01 -4.164408026e-01 4.16 -1.396156614e-01 -3.216374162e-01 -4.017517223e-01 4.18 -1.319421000e-01 -3.083562055e-01 -3.875593008e-01 4.20 -1.246910562e-01 -2.954236323e-01 -3.738470733e-01 4.22 -1.178306150e-01 -2.828420888e-01 -3.605988129e-01 4.24 -1.113253107e-01 -2.706196313e-01 -3.477985158e-01 4.26 -1.051388497e-01 -2.587693559e-01 -3.354303848e-01 4.28 -9.923656268e-02 -2.473081556e-01 -3.234788073e-01 4.30 -9.358744299e-02 -2.362549131e-01 -3.119283297e-01 4.32 -8.816570001e-02 -2.256283033e-01 -3.007636273e-01 4.34 -8.295179525e-02 -2.154444790e-01 -2.899694697e-01 4.36 -7.793294219e-02 -2.057149649e-01 -2.795306825e-01 4.38 -7.310305801e-02 -1.964450516e-01 -2.694321042e-01 4.40 -6.846216718e-02 -1.876328904e-01 -2.596585403e-01 4.42 -6.401529188e-02 -1.792693496e-01 -2.501947145e-01 4.44 -5.977091535e-02 -1.713385544e-01 -2.410252172e-01 4.46 -5.573916852e-02 -1.638189363e-01 -2.321344549e-01 4.48 -5.192994234e-02 -1.566845681e-01 -2.235065993e-01 4.50 -4.835115249e-02 -1.499065709e-01 -2.151255413e-01 4.52 -4.500736052e-02 -1.434544260e-01 -2.069748512e-01 4.54 -4.189889246e-02 -1.372970850e-01 -1.990377532e-01 4.56 -3.902151494e-02 -1.314038325e-01 -1.912971131e-01 4.58 -3.636662275e-02 -1.257449055e-01 -1.837354550e-01 4.60 -3.392148693e-02 -1.202919005e-01 -1.763350097e-01 4.62 -3.167076297e-02 -1.150180232e-01 -1.690778092e-01 4.64 -2.959754239e-02 -1.098982323e-01 -1.619458371e-01 4.66 -2.768368888e-02 -1.049093327e-01 -1.549212513e-01 4.68 -2.591077000e-02 -1.000300631e-01 -1.479866915e-01 4.70 -2.426081661e-02 -9.524121492e-02 -1.411256845e-01 4.72 -2.271690261e-02 -9.052580888e-02 -1.343231577e-01 4.74 -2.126356196e-02 -8.586934579e-02 -1.275660627e-01 4.76 -1.988705718e-02 -8.126013341e-02 -1.208441008e-01 4.78 -1.857548956e-02 -7.668967909e-02 -1.141505271e-01 4.80 -1.731908595e-02 -7.215312011e-02 -1.074829900e-01 4.82 -1.611016218e-02 -6.764964896e-02 -1.008443376e-01 4.84 -1.494309204e-02 -6.318287062e-02 -9.424330309e-02 4.86 -1.381424892e-02 -5.876102086e-02 -8.769496005e-02 4.88 -1.272189164e-02 -5.439696570e-02 -8.122083251e-02 4.90 -1.166598682e-02 -5.010791245e-02 -7.484855711e-02 4.92 -1.064796245e-02 -4.591478466e-02 -6.861102681e-02 4.94 -9.670393709e-03 -4.184125245e-02 -6.254500444e-02 4.96 -8.736632025e-03 -3.791234621e-02 -5.668926907e-02 4.98 -7.850398813e-03 -3.415311522e-02 -5.108243491e-02 5.00 -7.015374645e-03 -3.058722503e-02 -4.576065216e-02 5.02 -6.234819028e-03 -2.723529162e-02 -4.075543297e-02 5.04 -5.511254556e-03 -2.411365860e-02 -3.609183700e-02 5.06 -4.846241432e-03 -2.123354505e-02 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