# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Bonny-G-Pasianot-R-C-Castin-N-Malerba-L--Fe-Cu-Ni # implementation = 2009--Bonny-G--Fe-Cu-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 6.765178670e+02 nan 0.74 nan nan nan nan nan nan nan nan 6.047161550e+02 nan 0.76 nan nan nan nan nan nan nan nan 5.410593377e+02 nan 0.78 nan nan nan nan nan 4.114987940e+02 nan nan 4.844485081e+02 nan 0.80 nan nan nan nan nan 3.714384561e+02 nan nan 4.339713479e+02 nan 0.82 nan nan nan nan nan 3.356752861e+02 nan nan 3.888487361e+02 nan 0.84 nan nan nan nan nan 3.036941821e+02 nan nan 3.484319116e+02 nan 0.86 nan nan nan nan nan 2.750243427e+02 nan nan 3.122155747e+02 nan 0.88 nan nan nan 7.128762166e+02 7.128926554e+02 2.492405407e+02 nan nan 2.797602691e+02 4.333671322e+02 0.90 nan 3.848346465e+02 nan 6.502980657e+02 6.503119948e+02 2.259818869e+02 3.963078496e+02 nan 2.506731235e+02 3.915706625e+02 0.92 nan 3.445780939e+02 nan 5.928193807e+02 5.928354580e+02 2.049402866e+02 3.569845885e+02 nan 2.246140016e+02 3.536845450e+02 0.94 nan 3.081917095e+02 nan 5.399400892e+02 5.399649563e+02 1.858768966e+02 3.213274485e+02 nan 2.012354870e+02 3.192511558e+02 0.96 nan 2.753252513e+02 nan 4.912648419e+02 4.912994139e+02 1.685803781e+02 2.889608501e+02 nan 1.802358388e+02 2.879485419e+02 0.98 nan 2.457171281e+02 nan 4.464288659e+02 4.464666442e+02 1.528648116e+02 2.595590593e+02 4.060979516e+02 1.613581828e+02 2.595108377e+02 1.00 4.050619293e+02 2.191268402e+02 3.501159761e+02 4.051108001e+02 4.051429561e+02 1.386039799e+02 2.328894539e+02 3.673164654e+02 1.443831187e+02 2.336770438e+02 1.02 3.670745446e+02 1.952976249e+02 3.159523156e+02 3.670847133e+02 3.671076780e+02 1.256694109e+02 2.087561024e+02 3.317390793e+02 1.291268048e+02 2.101975042e+02 1.04 3.321707309e+02 1.739198421e+02 2.848081797e+02 3.321539969e+02 3.321615370e+02 1.139431375e+02 1.869480908e+02 2.991894056e+02 1.154256852e+02 1.888549446e+02 1.06 3.001602518e+02 1.547574469e+02 2.564416770e+02 3.001363935e+02 3.001363671e+02 1.033214089e+02 1.672755689e+02 2.695025241e+02 1.031350708e+02 1.694860845e+02 1.08 2.709000701e+02 1.375936440e+02 2.306243070e+02 2.708848301e+02 2.708875491e+02 9.370668098e+01 1.495551658e+02 2.425400292e+02 9.213752561e+01 1.519701840e+02 1.10 2.442478100e+02 1.222396108e+02 2.072013109e+02 2.442592079e+02 2.442697126e+02 8.503499262e+01 1.336300716e+02 2.181277397e+02 8.233008935e+01 1.361844793e+02 1.12 2.201004523e+02 1.085442827e+02 1.860474403e+02 2.201349190e+02 2.201518392e+02 7.726097220e+01 1.193684552e+02 1.960819259e+02 7.363298698e+01 1.220122041e+02 1.14 1.982684407e+02 9.632959732e+01 1.669810803e+02 1.983096758e+02 1.983323024e+02 7.033206050e+01 1.066007657e+02 1.761888958e+02 6.593458198e+01 1.093006691e+02 1.16 1.785291535e+02 8.542624936e+01 1.497790928e+02 1.785718381e+02 1.786005676e+02 6.415311583e+01 9.516707454e+01 1.582424376e+02 5.911756472e+01 9.791095737e+01 1.18 1.606848938e+02 7.571666737e+01 1.342805878e+02 1.607277177e+02 1.607599245e+02 5.864599888e+01 8.493006015e+01 1.420603407e+02 5.308682471e+01 8.771764934e+01 1.20 1.445688663e+02 6.707792137e+01 1.203411097e+02 1.445998558e+02 1.446277513e+02 5.374875202e+01 7.577394793e+01 1.274773726e+02 4.774877899e+01 7.861987065e+01 1.22 1.300079745e+02 5.938880936e+01 1.078019714e+02 1.300208159e+02 1.300369110e+02 4.939680452e+01 6.760587900e+01 1.143328840e+02 4.303240771e+01 7.050131035e+01 1.24 1.168426880e+02 5.256080866e+01 9.651744701e+01 1.168430152e+02 1.168495438e+02 4.553092699e+01 6.033663952e+01 1.024780592e+02 3.887908601e+01 6.325577391e+01 1.26 1.049572663e+02 4.651820346e+01 8.635355705e+01 1.049418257e+02 1.049391257e+02 4.209424593e+01 5.387206085e+01 9.179832203e+01 3.522519542e+01 5.678403369e+01 1.28 9.423701122e+01 4.117229560e+01 7.721288512e+01 9.420652118e+01 9.419738429e+01 3.903844676e+01 4.812410676e+01 8.217809165e+01 3.201426571e+01 5.099465495e+01 1.30 8.456020771e+01 3.644082755e+01 6.900620891e+01 8.452325049e+01 8.451171140e+01 3.632571745e+01 4.301617747e+01 7.351217359e+01 2.920030086e+01 4.582905074e+01 1.32 7.581418367e+01 3.225671274e+01 6.163578723e+01 7.578958094e+01 7.578021896e+01 3.391600397e+01 3.848774329e+01 6.571100926e+01 2.674408529e+01 4.123951272e+01 1.34 6.790587197e+01 2.858126054e+01 5.502797651e+01 6.791274620e+01 6.790990095e+01 3.178918321e+01 3.447653893e+01 5.869614334e+01 2.460197357e+01 3.716421848e+01 1.36 6.079431343e+01 2.536568491e+01 4.910391108e+01 6.082267772e+01 6.082685452e+01 2.991608630e+01 3.093078144e+01 5.240976291e+01 2.274135416e+01 3.356184346e+01 1.38 5.440330158e+01 2.255701590e+01 4.378661916e+01 5.444226665e+01 5.445373089e+01 2.826634543e+01 2.780205880e+01 4.677934845e+01 2.113497091e+01 3.038200723e+01 1.40 4.866560946e+01 2.010894830e+01 3.901452781e+01 4.870670657e+01 4.872386739e+01 2.625470794e+01 2.504823657e+01 4.174578686e+01 1.975350180e+01 2.757961213e+01 1.42 4.352669010e+01 1.798192196e+01 3.475627121e+01 4.355985590e+01 4.357965772e+01 2.420230337e+01 2.264460972e+01 3.724885084e+01 1.857340562e+01 2.511569629e+01 1.44 3.892489383e+01 1.614574696e+01 3.098153614e+01 3.895065178e+01 3.897310229e+01 2.229183681e+01 2.055602815e+01 3.324209275e+01 1.716736475e+01 2.295047590e+01 1.46 3.480955262e+01 1.457944651e+01 2.764078056e+01 3.482936300e+01 3.485378444e+01 2.050611076e+01 1.874691185e+01 2.968154754e+01 1.556157396e+01 2.105341733e+01 1.48 3.114259302e+01 1.325598746e+01 2.469072507e+01 3.115301859e+01 3.117692801e+01 1.882174201e+01 1.718462811e+01 2.652475044e+01 1.407487932e+01 1.940490788e+01 1.50 2.787780726e+01 1.214696093e+01 2.209729548e+01 2.787696904e+01 2.789748519e+01 1.723554027e+01 1.583995095e+01 2.372845008e+01 1.269899770e+01 1.797568827e+01 1.52 2.497265894e+01 1.122628411e+01 1.982390961e+01 2.496536691e+01 2.497913147e+01 1.574103477e+01 1.469118960e+01 2.125699715e+01 1.141311252e+01 1.673880793e+01 1.54 2.240026633e+01 1.046992429e+01 1.783658753e+01 2.238634934e+01 2.238937120e+01 1.433215957e+01 1.371709918e+01 1.908432986e+01 1.021145430e+01 1.568174369e+01 1.56 2.012998374e+01 9.647481992e+00 1.610401824e+01 2.011082788e+01 2.010269230e+01 1.300352885e+01 1.289688500e+01 1.718164660e+01 9.089565449e+00 1.478711201e+01 1.58 1.812909266e+01 8.426005439e+00 1.459715905e+01 1.811107224e+01 1.809596557e+01 1.174922208e+01 1.181140247e+01 1.552320221e+01 8.041979510e+00 1.358193850e+01 1.60 1.636741328e+01 7.301056733e+00 1.328919101e+01 1.635755239e+01 1.633994975e+01 1.056282227e+01 1.053588559e+01 1.408313740e+01 7.063729080e+00 1.223428351e+01 1.62 1.483281488e+01 6.270647945e+00 1.216928447e+01 1.483090853e+01 1.481300809e+01 9.444121544e+00 9.353277803e+00 1.284729875e+01 6.150758433e+00 1.098537004e+01 1.64 1.350938777e+01 5.315540798e+00 1.122317212e+01 1.351088710e+01 1.349364308e+01 8.391583078e+00 8.259674360e+00 1.179657031e+01 5.298149733e+00 9.832534316e+00 1.66 1.237518444e+01 4.425156780e+00 1.043111616e+01 1.237506827e+01 1.235956192e+01 7.402052488e+00 7.236390877e+00 1.091067158e+01 4.501955674e+00 8.754449191e+00 1.68 1.141000133e+01 3.595298594e+00 9.774795640e+00 1.140689667e+01 1.139437700e+01 6.472713276e+00 6.278436127e+00 1.017086080e+01 3.760261346e+00 7.743695111e+00 1.70 1.059536158e+01 2.822096175e+00 9.037560396e+00 1.059127913e+01 1.058310719e+01 5.601410993e+00 5.385041734e+00 9.559843994e+00 3.070453287e+00 6.796077386e+00 1.72 9.916673458e+00 2.104876672e+00 7.935804617e+00 9.912459678e+00 9.908871209e+00 4.789907704e+00 4.554535007e+00 8.693723775e+00 2.429807803e+00 5.910919087e+00 1.74 9.358935766e+00 1.440797442e+00 6.917101932e+00 9.355098642e+00 9.356021806e+00 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 -4.317860481e+00 -3.976771625e+00 -3.685547072e+00 -3.688114324e+00 -2.974121654e+00 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