# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Hayakawa-S-Xu-H--Fe-Ni-Al # implementation = 2024--Hayakawa-S--Fe-Ni-Al--LAMMPS--ipr1 # composition = Al # 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 2025-12-17 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 nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 5.926632532e+02 nan 0.84 nan nan nan nan nan nan nan nan 5.363323257e+02 nan 0.86 nan nan nan nan nan nan nan nan 4.859539549e+02 nan 0.88 nan nan nan nan nan 3.770575212e+02 nan nan 4.408486420e+02 nan 0.90 nan nan nan nan nan 3.418484580e+02 nan nan 4.003905714e+02 nan 0.92 nan nan nan nan nan 3.103959256e+02 nan nan 3.639128642e+02 nan 0.94 nan nan nan nan nan 2.822435373e+02 nan nan 3.309527500e+02 nan 0.96 nan nan nan nan nan 2.570138767e+02 nan nan 3.011556719e+02 nan 0.98 nan nan nan nan nan 2.343788447e+02 nan nan 2.741873861e+02 nan 1.00 nan nan nan 5.984674923e+02 5.984298207e+02 2.140471967e+02 nan nan 2.497713998e+02 3.774991164e+02 1.02 nan 3.437769136e+02 nan 5.523856045e+02 5.523432467e+02 1.957614543e+02 3.516330577e+02 nan 2.276630410e+02 3.461023202e+02 1.04 nan 3.154994633e+02 nan 5.105484173e+02 5.105066371e+02 1.792934886e+02 3.228432589e+02 nan 2.076391945e+02 3.176200463e+02 1.06 nan 2.894850048e+02 nan 4.725034691e+02 4.724680060e+02 1.644384556e+02 2.965475383e+02 nan 1.894947951e+02 2.917603972e+02 1.08 nan 2.655438455e+02 nan 4.378266141e+02 4.378116743e+02 1.510120022e+02 2.724867093e+02 nan 1.730424426e+02 2.682472003e+02 1.10 nan 2.435191386e+02 nan 4.061698932e+02 4.061875094e+02 1.388478921e+02 2.504620433e+02 nan 1.581093568e+02 2.468490031e+02 1.12 nan 2.232325277e+02 nan 3.769353423e+02 3.769792005e+02 1.276734462e+02 2.301914814e+02 nan 1.444655663e+02 2.272196382e+02 1.14 3.496024132e+02 2.045084384e+02 3.085904736e+02 3.496557459e+02 3.497131346e+02 1.172852586e+02 2.114500069e+02 3.209430842e+02 1.319254017e+02 2.090759289e+02 1.16 3.241489802e+02 1.872149034e+02 2.852175908e+02 3.242094075e+02 3.242699735e+02 1.076196090e+02 1.941308514e+02 2.969923096e+02 1.203980776e+02 1.923080479e+02 1.18 3.004231144e+02 1.712510300e+02 2.634527491e+02 3.004821208e+02 3.005370710e+02 9.863538219e+01 1.781335633e+02 2.747042445e+02 1.098006136e+02 1.768150114e+02 1.20 2.783198983e+02 1.565145853e+02 2.432051900e+02 2.783677461e+02 2.784095863e+02 9.033920342e+01 1.633639467e+02 2.539575792e+02 1.000529298e+02 1.625025572e+02 1.22 2.577338439e+02 1.429237577e+02 2.243851975e+02 2.577622454e+02 2.577858887e+02 8.267247021e+01 1.497347816e+02 2.346305210e+02 9.108957103e+01 1.492794221e+02 1.24 2.385145232e+02 1.303964474e+02 2.069045251e+02 2.385248561e+02 2.385344722e+02 7.557815078e+01 1.371640204e+02 2.166146606e+02 8.287207084e+01 1.370437243e+02 1.26 2.205713315e+02 1.188581363e+02 1.906781724e+02 2.205690893e+02 2.205706784e+02 6.900777637e+01 1.255737664e+02 1.998357868e+02 7.538658898e+01 1.257203073e+02 1.28 2.038327415e+02 1.082391435e+02 1.756253176e+02 2.038251656e+02 2.038239564e+02 6.292046191e+01 1.148907876e+02 1.842226802e+02 6.856288236e+01 1.152457813e+02 1.30 1.882307921e+02 9.847286033e+01 1.616618685e+02 1.882244975e+02 1.882240765e+02 5.727300957e+01 1.050411404e+02 1.697075456e+02 6.233274314e+01 1.055606347e+02 1.32 1.737017311e+02 8.949623599e+01 1.486948465e+02 1.736998719e+02 1.737010684e+02 5.201462638e+01 9.595611465e+01 1.562258698e+02 5.662566841e+01 9.660975944e+01 1.34 1.601844957e+02 8.124928293e+01 1.366618183e+02 1.601885652e+02 1.601915867e+02 4.712578863e+01 8.757885691e+01 1.437157019e+02 5.139171429e+01 8.834282806e+01 1.36 1.476202290e+02 7.368482162e+01 1.255045958e+02 1.476295944e+02 1.476340796e+02 4.258962194e+01 7.985819913e+01 1.321172073e+02 4.658816178e+01 8.072181956e+01 1.38 1.359522033e+02 6.679498625e+01 1.151678237e+02 1.359639472e+02 1.359690825e+02 3.839045781e+01 7.278754514e+01 1.213721352e+02 4.217731663e+01 7.374598129e+01 1.40 1.251246043e+02 6.052243034e+01 1.055981147e+02 1.251351260e+02 1.251399427e+02 3.451384558e+01 6.632979054e+01 1.114236807e+02 3.812574614e+01 6.736296936e+01 1.42 1.150832026e+02 5.480954028e+01 9.674402951e+01 1.150897717e+02 1.150934305e+02 3.094513273e+01 6.043094431e+01 1.022147634e+02 3.439944667e+01 6.151824520e+01 1.44 1.057758603e+02 4.960376814e+01 8.855660473e+01 1.057772150e+02 1.057791249e+02 2.766849677e+01 5.504121450e+01 9.369183360e+01 3.096226372e+01 5.616142788e+01 1.46 9.715249169e+01 4.485788682e+01 8.098880562e+01 9.714900156e+01 9.714906669e+01 2.466647226e+01 5.010239651e+01 8.580701004e+01 2.779306982e+01 5.124702590e+01 1.48 8.916549149e+01 4.053024630e+01 7.399881186e+01 8.915880086e+01 8.915754907e+01 2.192082538e+01 4.557054791e+01 7.851488298e+01 2.487399398e+01 4.673450784e+01 1.50 8.176614300e+01 3.658399000e+01 6.758191008e+01 8.175858398e+01 8.175696061e+01 1.941387924e+01 4.141133492e+01 7.178454160e+01 2.218901457e+01 4.258017780e+01 1.52 7.490587090e+01 3.298631598e+01 6.169631532e+01 7.489996722e+01 7.489901997e+01 1.712878770e+01 3.759348846e+01 6.560276107e+01 1.972306841e+01 3.873582938e+01 1.54 6.858209349e+01 2.970803176e+01 5.629574303e+01 6.857996240e+01 6.858054782e+01 1.505011392e+01 3.408850700e+01 5.992394991e+01 1.746161513e+01 3.517679998e+01 1.56 6.276451626e+01 2.672263990e+01 5.133896292e+01 6.276722161e+01 6.276979598e+01 1.316381756e+01 3.087016632e+01 5.470650033e+01 1.539145085e+01 3.188137020e+01 1.58 5.741198563e+01 2.400556880e+01 4.678915392e+01 5.741934756e+01 5.742395691e+01 1.145686328e+01 2.791392973e+01 4.991274403e+01 1.350034956e+01 2.882987338e+01 1.60 5.248696798e+01 2.153444812e+01 4.261331896e+01 5.249794004e+01 5.250427157e+01 9.916757086e+00 2.519743397e+01 4.550846220e+01 1.177664541e+01 2.600518894e+01 1.62 4.795528104e+01 1.928913119e+01 3.878179223e+01 4.796831205e+01 4.797571273e+01 8.531382526e+00 2.270085012e+01 4.146266850e+01 1.020935170e+01 2.339259861e+01 1.64 4.378581722e+01 1.725141892e+01 3.526821935e+01 4.379908541e+01 4.380658555e+01 7.289031790e+00 2.040658907e+01 3.774724514e+01 8.788156886e+00 2.097904719e+01 1.66 3.995043970e+01 1.540430115e+01 3.204901350e+01 3.996186890e+01 3.996823703e+01 6.178345216e+00 1.829882131e+01 3.433648739e+01 7.503155496e+00 1.875260909e+01 1.68 3.642331449e+01 1.373115956e+01 2.910219927e+01 3.643085044e+01 3.643475845e+01 5.188234745e+00 1.636302612e+01 3.120668836e+01 6.344865991e+00 1.670147614e+01 1.70 3.318057104e+01 1.221609085e+01 2.640681579e+01 3.318252306e+01 3.318277466e+01 4.307999383e+00 1.458207970e+01 2.833569215e+01 5.304443123e+00 1.481398218e+01 1.72 3.020014159e+01 1.084427203e+01 2.394284194e+01 3.019541939e+01 3.019118842e+01 3.527279154e+00 1.294099921e+01 2.570261589e+01 4.372397097e+00 1.307923577e+01 1.74 2.746154405e+01 9.595647840e+00 2.169161011e+01 2.744979478e+01 2.744074401e+01 2.835959385e+00 1.142987025e+01 2.328806672e+01 3.536991699e+00 1.148703370e+01 1.76 2.494578337e+01 8.456815163e+00 1.963590688e+01 2.492728844e+01 2.491354780e+01 2.224309013e+00 1.003947917e+01 2.107450755e+01 2.790571150e+00 1.002781654e+01 1.78 2.263527630e+01 7.418097293e+00 1.775988310e+01 2.261098796e+01 2.259315243e+01 1.683391469e+00 8.761361320e+00 1.904592276e+01 2.126031853e+00 8.692873768e+00 1.80 2.051375875e+01 6.470529136e+00 1.604870586e+01 2.048537621e+01 2.046447273e+01 1.205197862e+00 7.587866711e+00 1.718755078e+01 1.536441111e+00 7.474403998e+00 1.82 1.856620137e+01 5.605841303e+00 1.448800511e+01 1.853604353e+01 1.851343250e+01 7.825789633e-01 6.512078035e+00 1.548567939e+01 1.014982115e+00 6.365440991e+00 1.84 1.677872848e+01 4.816552334e+00 1.305858699e+01 1.674950983e+01 1.672676213e+01 4.091767819e-01 5.527660150e+00 1.392737812e+01 5.549199287e-01 5.359501130e+00 1.86 1.513853986e+01 4.096153841e+00 1.174439324e+01 1.511301157e+01 1.509176871e+01 7.941890682e-02 4.628807205e+00 1.250042712e+01 1.498345111e-01 4.450402394e+00 1.88 1.363383576e+01 3.438854619e+00 1.053479149e+01 1.361428865e+01 1.359611154e+01 -2.115763582e-01 3.810256696e+00 1.119378944e+01 -2.062018451e-01 3.632236909e+00 1.90 1.225375868e+01 2.834375555e+00 9.419956935e+00 1.224166560e+01 1.222790421e+01 -4.681871261e-01 3.067166390e+00 9.997565824e+00 -5.185674364e-01 2.899222441e+00 1.92 1.098832059e+01 2.275079823e+00 8.390938836e+00 1.098436392e+01 1.097608299e+01 -6.943611366e-01 2.394957926e+00 8.902621160e+00 -7.921284815e-01 2.245473691e+00 1.94 9.828332394e+00 1.757600796e+00 7.439892087e+00 9.832543860e+00 9.830469273e+00 -8.936634884e-01 1.789265783e+00 7.900570096e+00 -1.031313182e+00 1.665093045e+00 1.96 8.765342962e+00 1.278928574e+00 6.560162565e+00 8.777200178e+00 8.781678798e+00 -1.069320496e+00 1.246034641e+00 6.983829198e+00 -1.240126023e+00 1.152268177e+00 1.98 7.791584958e+00 8.363649128e-01 5.746164180e+00 7.810139825e+00 7.821142790e+00 -1.224258861e+00 7.614236728e-01 6.145489733e+00 -1.422132931e+00 7.012418687e-01 2.00 6.899919002e+00 4.274510565e-01 4.993104443e+00 6.923996478e+00 6.941166618e+00 -1.361103098e+00 3.302689593e-01 5.379242287e+00 -1.580502331e+00 3.062651698e-01 2.02 6.083781814e+00 4.991324137e-02 4.296737713e+00 6.112081626e+00 6.134758659e+00 -1.482131033e+00 -5.249885085e-02 4.679293087e+00 -1.718117505e+00 -3.837445569e-02 2.04 5.337139208e+00 -2.982943443e-01 3.653252078e+00 5.368269879e+00 5.395511391e+00 -1.589289280e+00 -3.906812951e-01 4.040279474e+00 -1.837673564e+00 -3.381207166e-01 2.06 4.654445416e+00 -6.189843898e-01 3.059197597e+00 4.686950127e+00 4.717567381e+00 -1.684217437e+00 -6.880296559e-01 3.451386359e+00 -1.941720162e+00 -5.979921154e-01 2.08 4.030602441e+00 -9.138022915e-01 2.511411037e+00 4.063041749e+00 4.095662588e+00 -1.768271131e+00 -9.481702416e-01 2.905565775e+00 -2.032664460e+00 -8.226599075e-01 2.10 3.460920824e+00 -1.184257525e+00 2.006947051e+00 3.491969232e+00 3.525114668e+00 -1.842585624e+00 -1.174574657e+00 2.399945044e+00 -2.112607670e+00 -1.016452569e+00 2.12 2.934143449e+00 -1.432611352e+00 1.538463963e+00 2.962665782e+00 2.994832840e+00 -1.910460937e+00 -1.372850947e+00 1.929517245e+00 -2.185002025e+00 -1.186795770e+00 2.14 2.440657413e+00 -1.660861948e+00 1.099692704e+00 2.465717104e+00 2.495465894e+00 -1.974642456e+00 -1.548009583e+00 1.489973471e+00 -2.252645536e+00 -1.340060375e+00 2.16 1.978612183e+00 -1.869967945e+00 6.894799443e-01 1.999462770e+00 2.025506244e+00 -2.035289868e+00 -1.702422280e+00 1.079703014e+00 -2.316194494e+00 -1.478486807e+00 2.18 1.546263007e+00 -2.060790643e+00 3.066506935e-01 1.562390001e+00 1.583683772e+00 -2.092510278e+00 -1.838328336e+00 6.971522463e-01 -2.376121223e+00 -1.604083086e+00 2.20 1.141963091e+00 -2.234098688e+00 -5.001718281e-02 1.153105079e+00 1.168904076e+00 -2.146339125e+00 -1.957809639e+00 3.407841119e-01 -2.432752312e+00 -1.718648773e+00 2.22 7.641573980e-01 -2.390619672e+00 -3.817018212e-01 7.702654732e-01 7.801209563e-01 -2.196735033e+00 -2.062836707e+00 9.041394879e-03 -2.486292795e+00 -1.823776280e+00 2.24 4.113769208e-01 -2.531126215e+00 -6.894206656e-01 4.125514149e-01 4.162871489e-01 -2.243574993e+00 -2.155308414e+00 -2.995647384e-01 -2.536848138e+00 -1.920854794e+00 2.26 8.223369277e-02 -2.656490092e+00 -9.740163416e-01 7.864938065e-02 7.632635166e-02 -2.286652127e+00 -2.237053380e+00 -5.863503489e-01 -2.584434306e+00 -2.011080005e+00 2.28 -2.245805837e-01 -2.767730844e+00 -1.236227557e+00 -2.327160871e-01 -2.408308763e-01 -2.325711501e+00 -2.309838884e+00 -8.525155560e-01 -2.628975114e+00 -2.095529326e+00 2.30 -5.103011921e-01 -2.865982110e+00 -1.476802964e+00 -5.227303895e-01 -5.361829141e-01 -2.360511631e+00 -2.375377181e+00 -1.099202309e+00 -2.670330400e+00 -2.175185866e+00 2.32 -7.760956959e-01 -2.952343119e+00 -1.696526368e+00 -7.924837876e-01 -8.106556595e-01 -2.390851892e+00 -2.435185877e+00 -1.327503873e+00 -2.708318461e+00 -2.250832639e+00 2.34 -1.023068026e+00 -3.027836852e+00 -1.896219188e+00 -1.042972739e+00 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