# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Daw-M-S-Lawson-J-W-Bauschlicher-C-W--Hf-B # implementation = 2011--Daw-M-S--Hf-B--LAMMPS--ipr1 # composition = Hf # 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 2022-06-09 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 1.718407511e+03 nan nan nan nan 0.80 nan nan nan nan nan 1.562973042e+03 nan nan nan nan 0.82 nan nan nan nan nan 1.423654925e+03 nan nan 1.658910434e+03 nan 0.84 nan nan nan nan nan 1.298473852e+03 nan nan 1.512475345e+03 nan 0.86 nan nan nan nan nan 1.185715494e+03 nan nan 1.380550701e+03 nan 0.88 nan nan nan nan nan 1.083988977e+03 nan nan 1.261466246e+03 nan 0.90 nan 1.652367329e+03 nan nan nan 9.920793844e+02 nan nan 1.153802234e+03 1.669136797e+03 0.92 nan 1.516833937e+03 nan nan nan 9.089040968e+02 1.553594717e+03 nan 1.056311983e+03 1.533525147e+03 0.94 nan 1.393645802e+03 nan nan nan 8.335026356e+02 1.428374528e+03 nan 9.679012088e+02 1.410261455e+03 0.96 nan 1.281523593e+03 nan nan nan 7.650550021e+02 1.314392654e+03 nan 8.876204418e+02 1.298057775e+03 0.98 nan 1.179342028e+03 1.662953364e+03 nan nan 7.028337300e+02 1.210510256e+03 nan 8.146249258e+02 1.195715352e+03 1.00 nan 1.086056969e+03 1.537163459e+03 nan 1.716139048e+03 6.461739592e+02 1.115671016e+03 1.590405409e+03 7.481638900e+02 1.102237357e+03 1.02 1.589266161e+03 1.000802702e+03 1.421933457e+03 1.589316949e+03 1.589343965e+03 5.944907664e+02 1.028935890e+03 1.471716016e+03 6.875718416e+02 1.016792203e+03 1.04 1.472871060e+03 9.228043447e+02 1.316230118e+03 1.472936230e+03 1.472973412e+03 5.473014442e+02 9.495267093e+02 1.362852456e+03 6.322708434e+02 9.386295675e+02 1.06 1.365925125e+03 8.513872470e+02 1.219167881e+03 1.365989026e+03 1.366031114e+03 5.042041960e+02 8.767769269e+02 1.262871955e+03 5.817511693e+02 8.670373357e+02 1.08 1.267570758e+03 7.859197701e+02 1.129990225e+03 1.267611407e+03 1.267644456e+03 4.648295508e+02 8.100716828e+02 1.170966889e+03 5.355605730e+02 8.013639753e+02 1.10 1.177015821e+03 7.258206555e+02 1.047973312e+03 1.177025038e+03 1.177046754e+03 4.288349468e+02 7.488298587e+02 1.086392325e+03 4.932655304e+02 7.410498809e+02 1.12 1.093548947e+03 6.705922161e+02 9.724195520e+02 1.093539386e+03 1.093555167e+03 3.958408162e+02 6.925431359e+02 1.008473840e+03 4.544826338e+02 6.856266740e+02 1.14 1.016529367e+03 6.198114095e+02 9.027517143e+02 1.016517346e+03 1.016528919e+03 3.655374915e+02 6.407654239e+02 9.366065976e+02 4.188908736e+02 6.346686174e+02 1.16 9.453783951e+02 5.730902044e+02 8.384654702e+02 9.453757103e+02 9.453810888e+02 3.376790085e+02 5.931208715e+02 8.702568411e+02 3.862120087e+02 5.877611910e+02 1.18 8.795981663e+02 5.300652091e+02 7.790829503e+02 8.796005198e+02 8.796020307e+02 3.120637860e+02 5.492519412e+02 8.089442606e+02 3.562120474e+02 5.445187687e+02 1.20 8.187242677e+02 4.904161426e+02 7.241591248e+02 8.187374217e+02 8.187455218e+02 2.884894308e+02 5.088073703e+02 7.522378467e+02 3.286498196e+02 5.046039407e+02 1.22 7.623623011e+02 4.538497899e+02 6.733140418e+02 7.623885043e+02 7.624090244e+02 2.667586608e+02 4.714676214e+02 6.997651444e+02 3.032968883e+02 4.677248328e+02 1.24 7.101455622e+02 4.201005548e+02 6.262632558e+02 7.101835423e+02 7.102160988e+02 2.467367154e+02 4.369487135e+02 6.511766928e+02 2.799521633e+02 4.336583039e+02 1.26 6.617165270e+02 3.889090953e+02 5.826931794e+02 6.617681651e+02 6.618069052e+02 2.282803657e+02 4.050347528e+02 6.061572525e+02 2.584413506e+02 4.022143185e+02 1.28 6.167538627e+02 3.600798539e+02 5.423130425e+02 6.168257549e+02 6.168659936e+02 2.112729306e+02 3.755274027e+02 5.644116321e+02 2.386164046e+02 3.731690147e+02 1.30 5.750139371e+02 3.334544504e+02 5.048513063e+02 5.750892689e+02 5.751274693e+02 1.955945429e+02 3.482389300e+02 5.256906623e+02 2.203343042e+02 3.463153048e+02 1.32 5.362757427e+02 3.088448304e+02 4.700573300e+02 5.363153420e+02 5.363446057e+02 1.811103876e+02 3.229869846e+02 4.897545947e+02 2.034695689e+02 3.214486329e+02 1.34 5.002860952e+02 2.860612269e+02 4.377334159e+02 5.002778340e+02 5.002956474e+02 1.677063281e+02 2.995986032e+02 4.563703887e+02 1.878999933e+02 2.983801862e+02 1.36 4.668122962e+02 2.649398818e+02 4.077175499e+02 4.667608287e+02 4.667655614e+02 1.552937914e+02 2.779416419e+02 4.253239287e+02 1.735215035e+02 2.769840675e+02 1.38 4.356287215e+02 2.453577095e+02 3.798538745e+02 4.355706799e+02 4.355679508e+02 1.438132314e+02 2.578805647e+02 3.964349870e+02 1.602477792e+02 2.571297770e+02 1.40 4.065554643e+02 2.272321919e+02 3.539673965e+02 4.065246972e+02 4.065205872e+02 1.332014702e+02 2.392711665e+02 3.695464159e+02 1.479748499e+02 2.386986166e+02 1.42 3.794769433e+02 2.104507659e+02 3.298757653e+02 3.794690110e+02 3.794642755e+02 1.233775456e+02 2.219874748e+02 3.445202244e+02 1.366151967e+02 2.216107910e+02 1.44 3.542356273e+02 1.948887123e+02 3.074184706e+02 3.542433636e+02 3.542383320e+02 1.142741582e+02 2.059185822e+02 3.212049471e+02 1.261007943e+02 2.057545863e+02 1.46 3.306908466e+02 1.804342829e+02 2.864597072e+02 3.307139247e+02 3.307072832e+02 1.058182271e+02 1.909807679e+02 2.994751259e+02 1.163684020e+02 1.910258019e+02 1.48 3.087352663e+02 1.669933342e+02 2.669062885e+02 3.087627787e+02 3.087524973e+02 9.795650737e+01 1.771120151e+02 2.792193502e+02 1.073591318e+02 1.773501250e+02 1.50 2.882483163e+02 1.544939760e+02 2.486760211e+02 2.882818437e+02 2.882758505e+02 9.065408874e+01 1.642362082e+02 2.603361907e+02 9.902254198e+01 1.646406537e+02 1.52 2.691165347e+02 1.428974517e+02 2.316696619e+02 2.691630493e+02 2.691727525e+02 8.386186795e+01 1.522871336e+02 2.427289566e+02 9.129496415e+01 1.528146112e+02 1.54 2.512485582e+02 1.321487961e+02 2.158002546e+02 2.513055566e+02 2.513358796e+02 7.754105157e+01 1.411864644e+02 2.263031646e+02 8.411766471e+01 1.418122244e+02 1.56 2.345710609e+02 1.221839094e+02 2.010166569e+02 2.346222597e+02 2.346685232e+02 7.168564977e+01 1.308649025e+02 2.109783943e+02 7.745234613e+01 1.315883427e+02 1.58 2.189960887e+02 1.129330528e+02 1.872449515e+02 2.190297261e+02 2.190822554e+02 6.626364063e+01 1.212651115e+02 1.966690044e+02 7.127005199e+01 1.220796404e+02 1.60 2.044414801e+02 1.043287503e+02 1.744027128e+02 2.044491275e+02 2.044971830e+02 6.123337303e+01 1.123360050e+02 1.833008268e+02 6.553804045e+01 1.132293668e+02 1.62 1.908321114e+02 9.631133418e+01 1.624110104e+02 1.908164994e+02 1.908526260e+02 5.655473983e+01 1.040247040e+02 1.708042795e+02 6.023009046e+01 1.049870055e+02 1.64 1.780905801e+02 8.884152580e+01 1.512034583e+02 1.780681437e+02 1.780938514e+02 5.220122195e+01 9.629796600e+01 1.591153865e+02 5.530985859e+01 9.729786460e+01 1.66 1.661517266e+02 8.189878015e+01 1.407328266e+02 1.661378650e+02 1.661551328e+02 4.816795475e+01 8.911065425e+01 1.481781843e+02 5.074242922e+01 9.012201356e+01 1.68 1.549627136e+02 7.544728228e+01 1.309464955e+02 1.549663100e+02 1.549771501e+02 4.442605102e+01 8.241063754e+01 1.379471743e+02 4.649702577e+01 8.342302048e+01 1.70 1.444911107e+02 6.945977651e+01 1.218076552e+02 1.445068717e+02 1.445109315e+02 4.095466798e+01 7.615940284e+01 1.283949956e+02 4.255170345e+01 7.718288851e+01 1.72 1.346883055e+02 6.390720220e+01 1.132637859e+02 1.347114540e+02 1.347093671e+02 3.771943679e+01 7.032322567e+01 1.194779834e+02 3.888933717e+01 7.136510524e+01 1.74 1.255079869e+02 5.876516794e+01 1.052656642e+02 1.255359912e+02 1.255294317e+02 3.468914615e+01 6.487398634e+01 1.111601584e+02 3.549898997e+01 6.593489659e+01 1.76 1.169339385e+02 5.399297306e+01 9.777037463e+01 1.169604471e+02 1.169484356e+02 3.183943849e+01 5.978603456e+01 1.034042540e+02 3.237391705e+01 6.086173086e+01 1.78 1.089418651e+02 4.955207250e+01 9.074564554e+01 1.089546331e+02 1.089342081e+02 2.915979204e+01 5.504200811e+01 9.616127671e+01 2.948804093e+01 5.612181094e+01 1.80 1.014851972e+02 4.541402613e+01 8.418541035e+01 1.014757695e+02 1.014464879e+02 2.666113315e+01 5.062063283e+01 8.938330574e+01 2.682000075e+01 5.170087888e+01 1.82 9.451276814e+01 4.154684543e+01 7.807268225e+01 9.448020644e+01 9.444647680e+01 2.433328209e+01 4.650199209e+01 8.302477838e+01 2.434668704e+01 4.757807201e+01 1.84 8.797504814e+01 3.792710685e+01 7.237714794e+01 8.792378014e+01 8.789070680e+01 2.216839590e+01 4.267046156e+01 7.705424444e+01 2.204336272e+01 4.373316058e+01 1.86 8.182777541e+01 3.454271767e+01 6.708076856e+01 8.177087576e+01 8.174328587e+01 2.016946304e+01 3.911029606e+01 7.144848329e+01 1.989109899e+01 4.014735502e+01 1.88 7.603452946e+01 3.138863063e+01 6.214565915e+01 7.598905083e+01 7.597064336e+01 1.832280785e+01 3.579958830e+01 6.619199681e+01 1.787907754e+01 3.680336409e+01 1.90 7.057755758e+01 2.845542712e+01 5.753212152e+01 7.055460161e+01 7.054672898e+01 1.661195998e+01 3.271629348e+01 6.126985429e+01 1.600869894e+01 3.370289948e+01 1.92 6.546577774e+01 2.572804861e+01 5.320348544e+01 6.546091795e+01 6.545977225e+01 1.502050943e+01 2.983999126e+01 5.666522563e+01 1.427700009e+01 3.083857646e+01 1.94 6.067999522e+01 2.319248989e+01 4.912887161e+01 6.068541520e+01 6.068654886e+01 1.353330675e+01 2.715259511e+01 5.235484461e+01 1.267867394e+01 2.818754675e+01 1.96 5.619712821e+01 2.083572168e+01 4.529660547e+01 5.621159531e+01 5.621807120e+01 1.213749038e+01 2.464024843e+01 4.831815894e+01 1.120637834e+01 2.572590334e+01 1.98 5.199534850e+01 1.864898872e+01 4.169294801e+01 5.201916032e+01 5.203576051e+01 1.082317294e+01 2.229259346e+01 4.454170487e+01 9.848668531e+00 2.343034351e+01 2.00 4.805444799e+01 1.662456148e+01 3.830654391e+01 4.808762852e+01 4.811730891e+01 9.587967102e+00 2.010377820e+01 4.100764476e+01 8.598070777e+00 2.127981002e+01 2.02 4.435611837e+01 1.475300283e+01 3.514272553e+01 4.440061145e+01 4.444417374e+01 8.445407305e+00 1.806989643e+01 3.770148787e+01 7.440586677e+00 1.925684429e+01 2.04 4.088409354e+01 1.303263464e+01 3.218880632e+01 4.094019385e+01 4.099629105e+01 7.390586956e+00 1.618580366e+01 3.460937917e+01 6.362805406e+00 1.734842524e+01 2.06 3.762708038e+01 1.144947985e+01 2.942996228e+01 3.769248414e+01 3.775788791e+01 6.415160049e+00 1.443965529e+01 3.171771343e+01 5.356597601e+00 1.555671406e+01 2.08 3.459035083e+01 9.992711925e+00 2.685188736e+01 3.465684694e+01 3.472334304e+01 5.510689394e+00 1.281947903e+01 2.902188082e+01 4.418165061e+00 1.390664550e+01 2.10 3.176700216e+01 8.648965680e+00 2.444106042e+01 3.182440253e+01 3.188180291e+01 4.669121730e+00 1.131495457e+01 2.650879059e+01 3.549257710e+00 1.239756056e+01 2.12 2.913898610e+01 7.402411653e+00 2.218499261e+01 2.918102161e+01 2.922305711e+01 3.883223605e+00 9.922776477e+00 2.416198335e+01 2.749264395e+00 1.101397392e+01 2.14 2.668746839e+01 6.239386663e+00 2.007241561e+01 2.671238288e+01 2.673729737e+01 3.146918967e+00 8.638983752e+00 2.196906196e+01 2.009974889e+00 9.739012008e+00 2.16 2.439383032e+01 5.152470057e+00 1.809338257e+01 2.440192493e+01 2.441001955e+01 2.455486419e+00 7.455167774e+00 1.991822708e+01 1.327923263e+00 8.555676243e+00 2.18 2.224069234e+01 4.132965158e+00 1.624065322e+01 2.223419224e+01 2.222769214e+01 1.807771925e+00 6.359342551e+00 1.799551439e+01 6.990405875e-01 7.448149486e+00 2.20 2.021282179e+01 3.178474059e+00 1.450976837e+01 2.019550130e+01 2.017818082e+01 1.206323016e+00 5.346996198e+00 1.618879459e+01 1.163886385e-01 6.402977515e+00 2.22 1.829779842e+01 2.290276882e+00 1.289329552e+01 1.827442084e+01 1.825104326e+01 6.483981636e-01 4.418735398e+00 1.448813534e+01 -4.258961736e-01 5.409957463e+00 2.24 1.648672071e+01 1.463355517e+00 1.138411532e+01 1.646228352e+01 1.643784634e+01 1.311907095e-01 3.566993620e+00 1.288946123e+01 -9.316847481e-01 4.463080144e+00 2.26 1.478548284e+01 6.974866923e-01 9.975556184e+00 1.476162247e+01 1.473776210e+01 -3.479232263e-01 2.778546985e+00 1.140096635e+01 -1.404383331e+00 3.575000578e+00 2.28 1.319349906e+01 -9.484750778e-03 8.661365120e+00 1.317022992e+01 1.314696078e+01 -7.913972249e-01 2.042054579e+00 1.001841011e+01 -1.843293921e+00 2.749714683e+00 2.30 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