# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Wormald-J-Kempfert-J-March-Rico-J-Smith-R--Fe # implementation = 2025--Wormald-J--Fe--LAMMPS--ipr1 # composition = Fe # 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 2026-08-31 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan -1.166949359e+09 nan nan nan nan 0.70 nan nan nan nan nan -6.850114831e+08 nan nan -1.638081051e+09 nan 0.72 nan nan nan nan nan -4.050661624e+08 nan nan -9.856078262e+08 nan 0.74 nan nan nan nan nan -2.412676617e+08 nan nan -6.002157770e+08 nan 0.76 nan nan nan nan nan -1.452236183e+08 nan nan -3.698242691e+08 nan 0.78 nan -1.338020910e+09 nan nan nan -8.873282292e+07 -1.453528084e+09 nan -2.302916091e+08 -1.338189737e+09 0.80 nan -8.481146183e+08 nan nan nan -5.508329081e+07 -9.214247828e+08 nan -1.448380559e+08 -8.500835636e+08 0.82 nan -5.438709490e+08 nan nan nan -3.478770396e+07 -5.919633043e+08 nan -9.187031366e+07 -5.448255799e+08 0.84 nan -3.523504127e+08 -1.695763580e+09 nan nan -2.225949556e+07 -3.843474649e+08 nan -5.866240442e+07 -3.518530972e+08 0.86 nan -2.303044523e+08 -1.109632499e+09 nan nan -1.438792935e+07 -2.513682470e+08 -1.295446066e+09 -3.764175728e+07 -2.291517947e+08 0.88 -1.218787542e+09 -1.520890849e+08 -7.319446801e+08 -1.221027567e+09 -1.221934414e+09 -9.385631167e+06 -1.656356113e+08 -8.559086623e+08 -2.426982347e+07 -1.505941381e+08 0.90 -8.129158690e+08 -1.012850349e+08 -4.876411440e+08 -8.142145047e+08 -8.148106129e+08 -6.180597098e+06 -1.099836434e+08 -5.712084270e+08 -1.574230721e+07 -9.963402684e+07 0.92 -5.477132406e+08 -6.798994018e+07 -3.287419859e+08 -5.478434750e+08 -5.479738477e+08 -4.113429537e+06 -7.354932397e+07 -3.850673113e+08 -1.028248167e+07 -6.623467970e+07 0.94 -3.725808384e+08 -4.588268890e+07 -2.236761697e+08 -3.720717727e+08 -3.719446795e+08 -2.757635174e+06 -4.942612353e+07 -2.618555226e+08 -6.762243134e+06 -4.423185694e+07 0.96 -2.553270066e+08 -3.112692180e+07 -1.533335055e+08 -2.548748679e+08 -2.546492998e+08 -1.853429180e+06 -3.336307188e+07 -1.793761034e+08 -4.485000596e+06 -2.967682926e+07 0.98 -1.762387759e+08 -2.124312608e+07 -1.059475854e+08 -1.758915635e+08 -1.756462824e+08 -1.251708484e+06 -2.261533157e+07 -1.236827760e+08 -3.009333507e+06 -1.999093764e+07 1.00 -1.223595996e+08 -1.454628970e+07 -7.354693326e+07 -1.221663660e+08 -1.219915588e+08 -8.502310377e+05 -1.539120002e+07 -8.576921654e+07 -2.044655713e+06 -1.349154321e+07 1.02 -8.543998061e+07 -1.000046749e+07 -5.127600249e+07 -8.538911793e+07 -8.532369579e+07 -5.819796030e+05 -1.049697453e+07 -5.979562346e+07 -1.407132337e+06 -9.129224763e+06 1.04 -6.003594977e+07 -6.898623961e+06 -3.592728247e+07 -6.004938954e+07 -6.004190337e+07 -4.019893251e+05 -7.164155054e+06 -4.193141910e+07 -9.771427807e+05 -6.216035302e+06 1.06 -4.238478772e+07 -4.762213177e+06 -2.531715597e+07 -4.243776323e+07 -4.245346017e+07 -2.805411688e+05 -4.901439912e+06 -2.953491226e+07 -6.838725157e+05 -4.281127799e+06 1.08 -3.002396825e+07 -3.294652133e+06 -1.790255953e+07 -3.009331676e+07 -3.011258341e+07 -1.977351656e+05 -3.374416141e+06 -2.088394562e+07 -4.819142016e+05 -2.995477769e+06 1.10 -2.135812615e+07 -2.290857145e+06 -1.267951198e+07 -2.140910914e+07 -2.142471605e+07 -1.405539406e+05 -2.343800534e+06 -1.481797218e+07 -3.411553981e+05 -2.119763279e+06 1.12 -1.527892545e+07 -1.599337142e+06 -8.984622153e+06 -1.527793580e+07 -1.528770790e+07 -1.004795626e+05 -1.644507453e+06 -1.054345443e+07 -2.422854582e+05 -1.512722609e+06 1.14 -1.094774014e+07 -1.118541637e+06 -6.364340096e+06 -1.092216395e+07 -1.092976445e+07 -7.189867387e+04 -1.165292076e+06 -7.505227462e+06 -1.724482061e+05 -1.084824337e+06 1.16 -7.845896640e+06 -7.847243335e+05 -4.519420130e+06 -7.821358068e+06 -7.828239193e+06 -5.152578995e+04 -8.319412909e+05 -5.344471725e+06 -1.226760761e+05 -7.809221636e+05 1.18 -5.623686760e+06 -5.528279382e+05 -3.224890400e+06 -5.610405624e+06 -5.617610578e+06 -3.705569269e+04 -5.962740361e+05 -3.808077090e+06 -8.715028283e+04 -5.644937944e+05 1.20 -4.030464651e+06 -3.909819680e+05 -2.304516976e+06 -4.029733351e+06 -4.036508583e+06 -2.662675500e+04 -4.268787377e+05 -2.718468646e+06 -6.174741170e+04 -4.099155147e+05 1.22 -2.893516557e+06 -2.765897771e+05 -1.648855174e+06 -2.899697566e+06 -2.904286294e+06 -1.906316055e+04 -3.053913124e+05 -1.945246257e+06 -4.361700569e+04 -2.991839284e+05 1.24 -2.080824725e+06 -1.951811472e+05 -1.183883068e+06 -2.091537477e+06 -2.094205981e+06 -1.361437568e+04 -2.187737864e+05 -1.397025011e+06 -3.082963075e+04 -2.188342504e+05 1.26 -1.501997433e+06 -1.374134877e+05 -8.531492392e+05 -1.514837024e+06 -1.516571700e+06 -9.671739391e+03 -1.572821714e+05 -1.009348250e+06 -2.187714027e+04 -1.601265187e+05 1.28 -1.091070179e+06 -9.659792115e+04 -6.174486084e+05 -1.102501085e+06 -1.104332129e+06 -6.835210294e+03 -1.135323701e+05 -7.342944950e+05 -1.561240254e+04 -1.170423714e+05 1.30 -7.969896648e+05 -6.788617052e+04 -4.489478286e+05 -8.061025005e+05 -8.086490271e+05 -4.810152486e+03 -8.228478016e+04 -5.369540589e+05 -1.122192444e+04 -8.512173178e+04 1.32 -5.856309786e+05 -4.771483520e+04 -3.278278262e+05 -5.913863679e+05 -5.939243867e+05 -3.374678968e+03 -5.978682741e+04 -3.941775113e+05 -8.133530240e+03 -6.158808626e+04 1.34 -4.330026760e+05 -3.349965399e+04 -2.400973445e+05 -4.351320669e+05 -4.370584987e+05 -2.364331015e+03 -4.345033912e+04 -2.901179801e+05 -5.946610809e+03 -4.449099077e+04 1.36 -3.210747258e+05 -2.351456205e+04 -1.754995723e+05 -3.205501593e+05 -3.217409285e+05 -1.648735668e+03 -3.156454013e+04 -2.134559974e+05 -4.379135755e+03 -3.216119938e+04 1.38 -2.377895348e+05 -1.654066537e+04 -1.274144453e+05 -2.359577946e+05 -2.365061454e+05 -1.137761581e+03 -2.291486569e+04 -1.566809396e+05 -3.236378146e+03 -2.329644292e+04 1.40 -1.757734948e+05 -1.170428510e+04 -9.184910411e+04 -1.735351909e+05 -1.735215560e+05 -7.764583370e+02 -1.664857109e+04 -1.146907540e+05 -2.395552640e+03 -1.700549236e+04 1.42 -1.296188374e+05 -8.367770088e+03 -6.582003061e+04 -1.273646615e+05 -1.269061029e+05 -5.234345328e+02 -1.213599547e+04 -8.370862744e+04 -1.770342245e+03 -1.256875400e+04 1.44 -9.528361549e+04 -6.063250446e+03 -4.695650683e+04 -9.328216096e+04 -9.255839156e+04 -3.443952462e+02 -8.893154199e+03 -6.091085364e+04 -1.305645345e+03 -9.412446245e+03 1.46 -6.978082498e+04 -4.459330835e+03 -3.343250997e+04 -6.821317784e+04 -6.742095671e+04 -2.161955687e+02 -6.576003613e+03 -4.419784113e+04 -9.613297101e+02 -7.120972251e+03 1.48 -5.094029079e+04 -3.331609043e+03 -2.387339265e+04 -4.985481420e+04 -4.913871711e+04 -1.272111809e+02 -4.926058222e+03 -3.198162064e+04 -7.070579689e+02 -5.431451859e+03 1.50 -3.710943185e+04 -2.521076762e+03 -1.716388455e+04 -3.644904048e+04 -3.589432003e+04 -6.791866142e+01 -3.744612937e+03 -2.307205366e+04 -5.192245895e+02 -4.165960817e+03 1.52 -2.701473471e+04 -1.920852414e+03 -1.244923673e+04 -2.666780136e+04 -2.630560053e+04 -3.047722002e+01 -2.889107795e+03 -1.660049276e+04 -3.793359998e+02 -3.205554944e+03 1.54 -1.960252086e+04 -1.468480760e+03 -9.113053542e+03 -1.949906293e+04 -1.932864255e+04 -8.508332377e+00 -2.258600087e+03 -1.192849559e+04 -2.742279519e+02 -2.469933912e+03 1.56 -1.416171140e+04 -1.124116631e+03 -6.733271507e+03 -1.423652032e+04 -1.422438862e+04 3.058711444e+00 -1.782051995e+03 -8.598810654e+03 -1.962047160e+02 -1.903348462e+03 1.58 -1.023096782e+04 -8.606831188e+02 -5.015126821e+03 -1.039906891e+04 -1.048013808e+04 8.114219487e+00 -1.409983240e+03 -6.252581021e+03 -1.387212584e+02 -1.465770009e+03 1.60 -7.430528382e+03 -6.591786954e+02 -3.768627743e+03 -7.618979730e+03 -7.729595966e+03 9.490340624e+00 -1.109753844e+03 -4.608366186e+03 -9.702854263e+01 -1.127644427e+03 1.62 -5.454604502e+03 -5.054933860e+02 -2.859625306e+03 -5.613279595e+03 -5.708195927e+03 9.011833958e+00 -8.618490736e+02 -3.452812977e+03 -6.742262276e+01 -8.667327384e+02 1.64 -4.064526233e+03 -3.886098366e+02 -2.194280332e+03 -4.169075087e+03 -4.224295655e+03 7.653802237e+00 -6.581668120e+02 -2.629070108e+03 -4.688043547e+01 -6.660761067e+02 1.66 -3.079529019e+03 -2.997998332e+02 -1.708550228e+03 -3.127554493e+03 -3.137977067e+03 5.993201691e+00 -4.936946162e+02 -2.029840968e+03 -3.289256509e+01 -5.099777850e+02 1.68 -2.368923767e+03 -2.322962233e+02 -1.353382652e+03 -2.371905677e+03 -2.345688617e+03 4.347542204e+00 -3.637977526e+02 -1.583393809e+03 -2.340408416e+01 -3.864820602e+02 1.70 -1.843940247e+03 -1.810180391e+02 -1.091186133e+03 -1.819364077e+03 -1.771264882e+03 2.859696446e+00 -2.635500522e+02 -1.243775027e+03 -1.695282400e+01 -2.899308451e+02 1.72 -1.446025861e+03 -1.421611714e+02 -8.934966227e+02 -1.409912281e+03 -1.353997157e+03 1.566265724e+00 -1.878984204e+02 -9.816125559e+02 -1.260624221e+01 -2.155266754e+02 1.74 -1.138522820e+03 -1.124671518e+02 -7.394358966e+02 -1.103573797e+03 -1.051071162e+03 4.484996481e-01 -1.320373637e+02 -7.768846171e+02 -9.646486862e+00 -1.592115175e+02 1.76 -8.993701721e+02 -8.957833611e+01 -6.137566440e+02 -8.732375215e+02 -8.305612581e+02 -5.481110618e-01 -9.161358894e+01 -6.180281909e+02 -7.587960823e+00 -1.175237695e+02 1.78 -7.151568845e+02 -7.109650187e+01 -5.068772312e+02 -6.999978069e+02 -6.685790506e+02 -1.454663721e+00 -6.271315719e+01 -4.968158116e+02 -6.144662520e+00 -8.745887667e+01 1.80 -5.766296009e+02 -5.578342612e+01 -4.145410902e+02 -5.699825274e+02 -5.475411739e+02 -2.260195752e+00 -4.244618082e+01 -4.057478126e+02 -5.118470158e+00 -6.637113493e+01 1.82 -4.707414858e+02 -4.302832944e+01 -3.348558394e+02 -4.695688143e+02 -4.533397385e+02 -2.952256352e+00 -2.850734093e+01 -3.349924362e+02 -4.381952271e+00 -5.119253818e+01 1.84 -3.872933388e+02 -3.256450420e+01 -2.669964701e+02 -3.890913206e+02 -3.768315539e+02 -3.520809529e+00 -1.906736313e+01 -2.783887679e+02 -3.852893939e+00 -3.995825018e+01 1.86 -3.211818123e+02 -2.426796741e+01 -2.103160682e+02 -3.233290439e+02 -3.130584089e+02 -3.960800508e+00 -1.270433346e+01 -2.321665356e+02 -3.489788624e+00 -3.170696880e+01 1.88 -2.680631759e+02 -1.794885698e+01 -1.639072510e+02 -2.685380155e+02 -2.589484769e+02 -4.273478217e+00 -8.456013551e+00 -1.934434203e+02 -3.267579838e+00 -2.563999807e+01 1.90 -2.244104150e+02 -1.332730698e+01 -1.265322410e+02 -2.221224391e+02 -2.126450957e+02 -4.466605493e+00 -5.721241704e+00 -1.601926905e+02 -3.162161294e+00 -2.112559884e+01 1.92 -1.875518718e+02 -1.006564708e+01 -9.677283555e+01 -1.823469476e+02 -1.730023533e+02 -4.553791143e+00 -4.061747230e+00 -1.311387977e+02 -3.148404681e+00 -1.768890432e+01 1.94 -1.556408879e+02 -7.827006057e+00 -7.324751999e+01 -1.480887943e+02 -1.392428398e+02 -4.553248615e+00 -3.130495251e+00 -1.055961379e+02 -3.200380314e+00 -1.499145902e+01 1.96 -1.275497301e+02 -6.325366464e+00 -5.477861948e+01 -1.186343660e+02 -1.107551964e+02 -4.486255815e+00 -2.687522423e+00 -8.320589573e+01 -3.293199543e+00 -1.280554460e+01 1.98 -1.027077558e+02 -5.346578068e+00 -4.044977215e+01 -9.352013530e+01 -8.699522365e+01 -4.375440104e+00 -2.574125929e+00 -6.354344904e+01 -3.405421114e+00 -1.098757120e+01 2.00 -8.091579338e+01 -4.741272348e+00 -2.955816294e+01 -7.241355007e+01 -6.745000302e+01 -4.242859216e+00 -2.663184588e+00 -4.688557575e+01 -3.520916132e+00 -9.453272115e+00 2.02 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