# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Bonny-G-Pasianot-R-C-Malerba-L--Fe-Ni # implementation = 2009--Bonny-G--Fe-Ni--LAMMPS--ipr1 # composition = Ni # 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 2022-05-24 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 6.480152597e+02 nan 0.74 nan nan nan nan nan nan nan nan 5.762135477e+02 nan 0.76 nan nan nan nan nan nan nan nan 5.125567305e+02 nan 0.78 nan nan nan nan nan 3.829961868e+02 nan nan 4.559459009e+02 nan 0.80 nan nan nan nan nan 3.429358489e+02 nan nan 4.054687406e+02 nan 0.82 nan nan nan nan nan 3.071726789e+02 nan nan 3.603461289e+02 nan 0.84 nan nan nan nan nan 2.751915748e+02 nan nan 3.199293044e+02 nan 0.86 nan nan nan nan nan 2.465217354e+02 nan nan 2.837129674e+02 nan 0.88 nan nan nan 6.843736093e+02 6.843900482e+02 2.207379334e+02 nan nan 2.512576619e+02 4.048645250e+02 0.90 nan 3.563320392e+02 nan 6.217954585e+02 6.218093875e+02 1.974792796e+02 3.678052423e+02 nan 2.221705162e+02 3.630680552e+02 0.92 nan 3.160754866e+02 nan 5.643167734e+02 5.643328507e+02 1.764376793e+02 3.284819812e+02 nan 1.961113943e+02 3.251819377e+02 0.94 nan 2.796891023e+02 nan 5.114374819e+02 5.114623490e+02 1.573742894e+02 2.928248412e+02 nan 1.727328797e+02 2.907485486e+02 0.96 nan 2.468226441e+02 nan 4.627622346e+02 4.627968066e+02 1.400777708e+02 2.604582428e+02 nan 1.517332315e+02 2.594459346e+02 0.98 nan 2.172145208e+02 nan 4.179262586e+02 4.179640369e+02 1.243622043e+02 2.310564520e+02 3.775953443e+02 1.328555755e+02 2.310082305e+02 1.00 3.765593220e+02 1.906242329e+02 3.216133689e+02 3.766081928e+02 3.766403489e+02 1.101013727e+02 2.043868466e+02 3.388138582e+02 1.158805115e+02 2.051744365e+02 1.02 3.385719373e+02 1.667950176e+02 2.874497084e+02 3.385821061e+02 3.386050707e+02 9.716680360e+01 1.802534952e+02 3.032364720e+02 1.006241975e+02 1.816948969e+02 1.04 3.036681236e+02 1.454172348e+02 2.563055725e+02 3.036513896e+02 3.036589297e+02 8.544053020e+01 1.584454836e+02 2.706867983e+02 8.692307793e+01 1.603523373e+02 1.06 2.716576445e+02 1.262548397e+02 2.279390697e+02 2.716337863e+02 2.716337598e+02 7.481880162e+01 1.387729617e+02 2.409999168e+02 7.463246353e+01 1.409834772e+02 1.08 2.423974628e+02 1.090910368e+02 2.021216998e+02 2.423822228e+02 2.423849418e+02 6.520407371e+01 1.210525585e+02 2.140374219e+02 6.363491834e+01 1.234675767e+02 1.10 2.157452027e+02 9.373700352e+01 1.786987036e+02 2.157566006e+02 2.157671054e+02 5.653238535e+01 1.051274643e+02 1.896251324e+02 5.382748208e+01 1.076818720e+02 1.12 1.915978450e+02 8.004167540e+01 1.575448330e+02 1.916323118e+02 1.916492319e+02 4.875836493e+01 9.086584798e+01 1.675793187e+02 4.513037971e+01 9.350959688e+01 1.14 1.697658334e+02 6.782699005e+01 1.384784730e+02 1.698070685e+02 1.698296951e+02 4.182945323e+01 7.809815844e+01 1.476862885e+02 3.743197471e+01 8.079806184e+01 1.16 1.500265463e+02 5.692364209e+01 1.212764855e+02 1.500692308e+02 1.500979603e+02 3.565050856e+01 6.666446727e+01 1.297398303e+02 3.061495745e+01 6.940835010e+01 1.18 1.321822865e+02 4.721406010e+01 1.057779805e+02 1.322251104e+02 1.322573172e+02 3.014339161e+01 5.642745288e+01 1.135577334e+02 2.458421744e+01 5.921504207e+01 1.20 1.160662590e+02 3.857531410e+01 9.183850241e+01 1.160972485e+02 1.161251440e+02 2.524614475e+01 4.727134066e+01 9.897476536e+01 1.924617172e+01 5.011726338e+01 1.22 1.015053672e+02 3.088620209e+01 7.929936418e+01 1.015182086e+02 1.015343037e+02 2.089419725e+01 3.910327174e+01 8.583027677e+01 1.452980044e+01 4.199870308e+01 1.24 8.834008075e+01 2.405820139e+01 6.801483974e+01 8.834040797e+01 8.834693648e+01 1.702831972e+01 3.183403225e+01 7.397545188e+01 1.037647874e+01 3.475316665e+01 1.26 7.645465906e+01 1.801559619e+01 5.785094978e+01 7.643921844e+01 7.643651842e+01 1.359163866e+01 2.536945358e+01 6.329571476e+01 6.722588149e+00 2.828142642e+01 1.28 6.573440395e+01 1.266968833e+01 4.871027785e+01 6.570391391e+01 6.569477702e+01 1.053583949e+01 1.962149949e+01 5.367548438e+01 3.511658437e+00 2.249204768e+01 1.30 5.605760045e+01 7.938220284e+00 4.050360164e+01 5.602064322e+01 5.600910413e+01 7.823110180e+00 1.451357020e+01 4.500956632e+01 6.976935947e-01 1.732644347e+01 1.32 4.731157640e+01 3.754105473e+00 3.313317996e+01 4.728697367e+01 4.727761169e+01 5.413396696e+00 9.985136023e+00 3.720840199e+01 -1.758521979e+00 1.273690545e+01 1.34 3.940326470e+01 7.865326823e-02 2.652536924e+01 3.941013893e+01 3.940729368e+01 3.286575946e+00 5.973931664e+00 3.019353607e+01 -3.900633696e+00 8.661611214e+00 1.36 3.229170616e+01 -3.136922356e+00 2.060130381e+01 3.232007045e+01 3.232424725e+01 1.413479031e+00 2.428174167e+00 2.390715564e+01 -5.761253106e+00 5.059236189e+00 1.38 2.590069431e+01 -5.945591368e+00 1.528401189e+01 2.593965938e+01 2.595112362e+01 -2.362618411e-01 -7.005484691e-01 1.827674119e+01 -7.367636356e+00 1.879399958e+00 1.40 2.016300219e+01 -8.393658973e+00 1.051192055e+01 2.020409930e+01 2.022126012e+01 2.625470794e+01 -3.454370700e+00 1.324317959e+01 -8.749105464e+00 -9.229951427e-01 1.42 1.502408283e+01 -1.052068531e+01 6.253663944e+00 1.505724863e+01 1.507705045e+01 2.420230337e+01 -5.857997547e+00 8.746243566e+00 -9.929201654e+00 -3.386910975e+00 1.44 1.042228656e+01 -1.235686031e+01 2.478928871e+00 1.044804451e+01 1.047049502e+01 2.229183681e+01 -7.946579117e+00 4.739485480e+00 1.716736475e+01 -5.552131370e+00 1.46 6.306945349e+00 -1.392316076e+01 -8.618267096e-01 6.326755729e+00 6.351177174e+00 2.050611076e+01 -9.755695416e+00 1.178940267e+00 1.556157396e+01 -7.449189938e+00 1.48 2.639985751e+00 -1.524661981e+01 -3.811882202e+00 2.650411324e+00 2.674320743e+00 1.882174201e+01 -1.131797916e+01 -1.977856826e+00 1.407487932e+01 -9.097699392e+00 1.50 -6.248000118e-01 -1.635564634e+01 -6.405311790e+00 -6.256382281e-01 -6.051220764e-01 1.723554027e+01 -1.266265632e+01 -4.774157186e+00 1.269899770e+01 -1.052691900e+01 1.52 -3.529948330e+00 -1.727632316e+01 -8.678697663e+00 -3.537240357e+00 -3.523475799e+00 1.574103477e+01 -1.381141767e+01 -7.245610115e+00 1.141311252e+01 -1.176379934e+01 1.54 -6.102340937e+00 -1.803268298e+01 -1.066601973e+01 -6.116257927e+00 -6.113236065e+00 1.433215957e+01 -1.478550809e+01 -9.418277406e+00 1.021145430e+01 -1.282086358e+01 1.56 -8.372623525e+00 9.647481992e+00 -1.239858903e+01 -8.391779390e+00 -8.399914965e+00 1.300352885e+01 -1.560572227e+01 -1.132096067e+01 9.089565449e+00 -1.371549526e+01 1.58 -1.037351461e+01 8.426005439e+00 -1.390544822e+01 -1.039153503e+01 -1.040664170e+01 1.174922208e+01 1.181140247e+01 -1.297940506e+01 8.041979510e+00 1.358193850e+01 1.60 -1.213519399e+01 7.301056733e+00 -1.521341626e+01 -1.214505488e+01 -1.216265752e+01 1.056282227e+01 1.053588559e+01 -1.441946987e+01 7.063729080e+00 1.223428351e+01 1.62 -1.366979239e+01 6.270647945e+00 -1.633332280e+01 -1.367169874e+01 -1.368959918e+01 9.444121544e+00 9.353277803e+00 -1.565530852e+01 6.150758433e+00 1.098537004e+01 1.64 -1.499321950e+01 5.315540798e+00 -1.727943515e+01 -1.499172017e+01 -1.500896419e+01 8.391583078e+00 8.259674360e+00 -1.670603696e+01 5.298149733e+00 9.832534316e+00 1.66 -1.612742283e+01 4.425156780e+00 -1.807149111e+01 -1.612753900e+01 -1.614304535e+01 7.402052488e+00 7.236390877e+00 -1.759193569e+01 4.501955674e+00 8.754449191e+00 1.68 -1.709260594e+01 3.595298594e+00 -1.872781163e+01 -1.709571060e+01 -1.710823027e+01 6.472713276e+00 6.278436127e+00 -1.833174647e+01 3.760261346e+00 7.743695111e+00 1.70 -1.790724569e+01 2.822096175e+00 9.037560396e+00 -1.791132814e+01 -1.791950008e+01 5.601410993e+00 5.385041734e+00 -1.894276328e+01 3.070453287e+00 6.796077386e+00 1.72 -1.858593381e+01 2.104876672e+00 7.935804617e+00 -1.859014759e+01 -1.859373606e+01 4.789907704e+00 4.554535007e+00 8.693723775e+00 2.429807803e+00 5.910919087e+00 1.74 -1.914367150e+01 1.440797442e+00 6.917101932e+00 -1.914750863e+01 -1.914658546e+01 4.032425640e+00 3.783036770e+00 7.616785943e+00 1.835904717e+00 5.085529448e+00 1.76 8.340461632e+00 8.259205866e-01 5.978075645e+00 8.338277296e+00 8.342539327e+00 3.326159561e+00 3.066958077e+00 6.613133036e+00 1.286613548e+00 4.316521238e+00 1.78 7.308029447e+00 2.578824170e-01 5.105234391e+00 7.307511863e+00 7.315217211e+00 2.669227756e+00 2.402911189e+00 5.682561920e+00 7.772263795e-01 3.599712029e+00 1.80 6.342456815e+00 -2.633536486e-01 4.285756336e+00 6.346549152e+00 6.357742602e+00 2.059808155e+00 1.786628317e+00 4.811882913e+00 3.034333390e-01 2.930744194e+00 1.82 5.440152200e+00 -7.385476251e-01 3.516363851e+00 5.451400152e+00 5.465884356e+00 1.496108507e+00 1.215222728e+00 3.997233297e+00 -1.347271436e-01 2.306995708e+00 1.84 4.597701142e+00 -1.170577088e+00 2.793769040e+00 4.613486064e+00 4.629317924e+00 9.763486455e-01 6.860492139e-01 3.238866036e+00 -5.383697619e-01 1.726067366e+00 1.86 3.811858943e+00 -1.562068545e+00 2.114904323e+00 3.828796100e+00 3.843854827e+00 4.987457259e-01 1.966577897e-01 2.533654422e+00 -9.091721398e-01 1.185758027e+00 1.88 3.079538137e+00 -1.915399306e+00 1.481741870e+00 3.095670857e+00 3.109240588e+00 6.150637848e-02 -2.547543158e-01 1.878595542e+00 -1.247960204e+00 6.840494734e-01 1.90 2.397806607e+00 -2.232693137e+00 8.932506180e-01 2.411722069e+00 2.423635114e+00 -3.371846707e-01 -6.695689117e-01 1.270837955e+00 -1.556186524e+00 2.190974667e-01 1.92 1.763876845e+00 -2.516295386e+00 3.478329016e-01 1.774755803e+00 1.784812593e+00 -6.998500319e-01 -1.048245370e+00 7.077053652e-01 -1.835421937e+00 -2.107787447e-01 1.94 1.175099777e+00 -2.771883426e+00 -1.542999140e-01 1.183216179e+00 1.191178593e+00 -1.028045295e+00 -1.392728216e+00 1.867562278e-01 -2.087190574e+00 -6.084973503e-01 1.96 6.289597424e-01 -3.002115475e+00 -6.156951211e-01 6.345419559e-01 6.401241694e-01 -1.323631017e+00 -1.708526817e+00 -2.945926241e-01 -2.312975045e+00 -9.794065363e-01 1.98 1.230658994e-01 -3.208695188e+00 -1.038797020e+00 1.259287880e-01 1.287916766e-01 -1.588489195e+00 -1.997741416e+00 -7.386574804e-01 -2.514744455e+00 -1.322182818e+00 2.00 -3.448514769e-01 -3.393264149e+00 -1.425873747e+00 -3.450994760e-01 -3.453474750e-01 -1.824485488e+00 -2.261817825e+00 -1.147637590e+00 -2.694546171e+00 -1.636989429e+00 2.02 -7.769482146e-01 -3.557410329e+00 -1.779024195e+00 -7.806586789e-01 -7.843691433e-01 -2.033457970e+00 -2.502153195e+00 -1.523624323e+00 -2.853174730e+00 -1.925286810e+00 2.04 -1.175271654e+00 -3.702678460e+00 -2.100180828e+00 -1.181842245e+00 -1.188412835e+00 -2.217206300e+00 -2.720105243e+00 -1.868423869e+00 -2.991995587e+00 -2.188487064e+00 2.06 -1.541764035e+00 -3.830189481e+00 -2.391107092e+00 -1.550393478e+00 -1.559022922e+00 -2.377481288e+00 -2.917001375e+00 -2.182653405e+00 -3.112303319e+00 -2.427964348e+00 2.08 -1.878269707e+00 -3.940788255e+00 -2.653343234e+00 -1.888184622e+00 -1.898099537e+00 -2.515930422e+00 -3.094148265e+00 -2.467782659e+00 -3.214756818e+00 -2.645066113e+00 2.10 -2.186538640e+00 -4.035611701e+00 -2.888907386e+00 -2.196975056e+00 -2.207411473e+00 -2.633429221e+00 -3.252448465e+00 -2.725374000e+00 -3.300509996e+00 -2.841122315e+00 2.12 -2.468230541e+00 -4.114545906e+00 -3.101839936e+00 -2.478413797e+00 -2.488597053e+00 -2.731103124e+00 -3.392305373e+00 -2.958961211e+00 -3.370754414e+00 -3.017455768e+00 2.14 -2.724920631e+00 -4.178438849e+00 -3.293581930e+00 -2.734042320e+00 -2.743164009e+00 -2.810168706e+00 -3.514828605e+00 -3.172059627e+00 -3.426543382e+00 -3.175393065e+00 2.16 -2.958102185e+00 -4.229045395e+00 -3.465409358e+00 -2.965669873e+00 -2.973237561e+00 -2.871693276e+00 -3.621328003e+00 -3.364596534e+00 -3.468866595e+00 -3.315236797e+00 2.18 -3.169191170e+00 -4.267403790e+00 -3.618530727e+00 -3.175341083e+00 -3.181490997e+00 -2.916570776e+00 -3.714248251e+00 -3.537044636e+00 -3.498488791e+00 -3.437393635e+00 2.20 -3.359530134e+00 -4.294428145e+00 -3.754088491e+00 -3.364387434e+00 -3.369244735e+00 -2.946464889e+00 -3.794333003e+00 -3.690669893e+00 -3.515573479e+00 -3.543022044e+00 2.22 -3.530391123e+00 -4.310978539e+00 -3.873162518e+00 -3.534060405e+00 -3.537729688e+00 -2.965209875e+00 -3.862087496e+00 -3.826675797e+00 -3.520713199e+00 -3.633158982e+00 2.24 -3.682979820e+00 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