# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Fernandez-J-R-Pascuet-M-I--U # implementation = 2014--Fernandez-J-R--U--LAMMPS--ipr1 # composition = U # 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 2024-11-27 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 3.988995948e+03 nan nan nan nan 0.80 nan nan nan nan nan 3.623448681e+03 nan nan nan nan 0.82 nan nan nan nan nan 3.296377014e+03 nan nan 3.660203443e+03 nan 0.84 nan nan nan nan nan 3.002149487e+03 nan nan 3.302551268e+03 nan 0.86 nan nan nan nan nan 2.730010595e+03 nan nan 2.977601362e+03 nan 0.88 nan nan nan nan nan 2.478264615e+03 nan nan 2.682239642e+03 nan 0.90 nan 4.203291585e+03 nan nan nan 2.246636382e+03 nan nan 2.414591485e+03 3.592142822e+03 0.92 nan 3.772368464e+03 nan nan nan 2.034439866e+03 3.447309076e+03 nan 2.172645294e+03 3.252559407e+03 0.94 nan 3.386318751e+03 nan nan nan 1.840722026e+03 3.109432457e+03 nan 1.954352027e+03 2.943093595e+03 0.96 nan 3.040725150e+03 nan nan nan 1.664370114e+03 2.804151824e+03 nan 1.757694189e+03 2.661776933e+03 0.98 nan 2.731490203e+03 3.996237378e+03 nan nan 1.504189620e+03 2.528694055e+03 nan 1.580731294e+03 2.406557520e+03 1.00 nan 2.454851920e+03 3.615460891e+03 nan 4.319694398e+03 1.358959995e+03 2.280399059e+03 3.915686885e+03 1.421628205e+03 2.175378521e+03 1.02 3.917641804e+03 2.207383425e+03 3.271368493e+03 3.917940391e+03 3.918239747e+03 1.227473662e+03 2.056755093e+03 3.545335102e+03 1.278671219e+03 1.966232160e+03 1.04 3.553813680e+03 1.985982201e+03 2.960640250e+03 3.554104694e+03 3.554396391e+03 1.108562523e+03 1.855418557e+03 3.210575834e+03 1.150275518e+03 1.777195507e+03 1.06 3.224325146e+03 1.787852833e+03 2.680171192e+03 3.224608767e+03 3.224892992e+03 1.001115175e+03 1.674222761e+03 2.908156695e+03 1.034986584e+03 1.606452802e+03 1.08 2.926094776e+03 1.610486015e+03 2.427084076e+03 2.926371178e+03 2.926648114e+03 9.040873434e+02 1.511178927e+03 2.635049197e+03 9.314774531e+02 1.452308025e+03 1.10 2.656249074e+03 1.451635748e+03 2.198731898e+03 2.656518426e+03 2.656788249e+03 8.165072480e+02 1.364471978e+03 2.388456200e+03 8.385432499e+02 1.313190440e+03 1.12 2.412129487e+03 1.309296159e+03 1.992693407e+03 2.412391953e+03 2.412654834e+03 7.374774300e+02 1.232452876e+03 2.165810846e+03 7.550941032e+02 1.187655106e+03 1.14 2.191291711e+03 1.181678831e+03 1.806763976e+03 2.191547451e+03 2.191803556e+03 6.661740858e+02 1.113628899e+03 1.964769679e+03 6.801471925e+02 1.074379959e+03 1.16 1.991499666e+03 1.067191186e+03 1.638943514e+03 1.991748836e+03 1.991998325e+03 6.018446952e+02 1.006652747e+03 1.783201973e+03 6.128184293e+02 9.721606018e+02 1.18 1.810715992e+03 9.644162553e+02 1.487422771e+03 1.810958743e+03 1.811201775e+03 5.438045469e+02 9.103112188e+02 1.619176765e+03 5.523140758e+02 8.799036796e+02 1.20 1.647090391e+03 8.720939476e+02 1.350568909e+03 1.647326872e+03 1.647563599e+03 4.914326121e+02 8.235138307e+02 1.470948688e+03 4.979225576e+02 7.966194490e+02 1.22 1.498946770e+03 7.891039321e+02 1.226910949e+03 1.499177126e+03 1.499407697e+03 4.441670178e+02 7.452817642e+02 1.336943368e+03 4.490066407e+02 7.214140097e+02 1.24 1.364769952e+03 7.144501845e+02 1.115125577e+03 1.364994325e+03 1.365218885e+03 4.015003775e+02 6.747374100e+02 1.215742930e+03 4.049961654e+02 6.534814860e+02 1.26 1.243192405e+03 6.472471727e+02 1.014023557e+03 1.243410933e+03 1.243629623e+03 3.629752514e+02 6.110945078e+02 1.106072004e+03 3.653813699e+02 5.920963104e+02 1.28 1.132981343e+03 5.867074179e+02 9.225369321e+02 1.133194160e+03 1.133407119e+03 3.281797290e+02 5.536490108e+02 1.006784384e+03 3.297066869e+02 5.366059022e+02 1.30 1.033026511e+03 5.321303981e+02 8.397071303e+02 1.033233751e+03 1.033441113e+03 2.967432537e+02 5.017707162e+02 9.168505505e+02 2.975650930e+02 4.864238124e+02 1.32 9.423285925e+02 4.828926662e+02 7.646740084e+02 9.425303841e+02 9.427322812e+02 2.683326674e+02 4.548955900e+02 8.353461017e+02 2.685929384e+02 4.410232787e+02 1.34 8.599884289e+02 4.384390252e+02 6.966658366e+02 8.601848986e+02 8.603814594e+02 2.426485440e+02 4.125188029e+02 7.614411329e+02 2.424652475e+02 3.999312822e+02 1.36 7.851971456e+02 3.982748146e+02 6.349901887e+02 7.853884172e+02 7.855797674e+02 2.194218319e+02 3.741884267e+02 6.943905677e+02 2.188915992e+02 3.627231189e+02 1.38 7.172270887e+02 3.619590954e+02 5.790256837e+02 7.174132833e+02 7.175995456e+02 1.984107588e+02 3.394998376e+02 6.335253815e+02 1.976124085e+02 3.290174487e+02 1.40 6.554235933e+02 3.290986336e+02 5.282145512e+02 6.556048296e+02 6.557861239e+02 1.793980404e+02 3.080906753e+02 5.782446760e+02 1.783956330e+02 2.984717844e+02 1.42 5.991975253e+02 2.993426047e+02 4.820559498e+02 5.993739192e+02 5.995503628e+02 1.621884252e+02 2.796362407e+02 5.280085437e+02 1.610338031e+02 2.707784064e+02 1.44 5.480185481e+02 2.723777189e+02 4.400999671e+02 5.481902131e+02 5.483619206e+02 1.466063569e+02 2.538454613e+02 4.823316425e+02 1.453412228e+02 2.456608098e+02 1.46 5.014090707e+02 2.479240175e+02 4.019422598e+02 5.015761179e+02 5.017432015e+02 1.324939207e+02 2.304572847e+02 4.407774256e+02 1.311515782e+02 2.228704509e+02 1.48 4.589387809e+02 2.257311752e+02 3.672192612e+02 4.591013191e+02 4.592638882e+02 1.197090073e+02 2.092374502e+02 4.029530889e+02 1.183158273e+02 2.021838003e+02 1.50 4.202196827e+02 2.055752241e+02 3.356039052e+02 4.203778183e+02 4.205359800e+02 1.081236473e+02 1.899755937e+02 3.685049794e+02 1.067003182e+02 1.833996757e+02 1.52 3.849018382e+02 1.872556807e+02 3.068017974e+02 3.850556752e+02 3.852095343e+02 9.762258181e+01 1.724827320e+02 3.371145451e+02 9.618516824e+01 1.663369500e+02 1.54 3.526694950e+02 1.705930683e+02 2.805478046e+02 3.528191352e+02 3.529687941e+02 8.810196314e+01 1.565890032e+02 3.084947039e+02 8.666285489e+01 1.508324728e+02 1.56 3.232375936e+02 1.554266139e+02 2.566030196e+02 3.233831366e+02 3.235286955e+02 7.946818253e+01 1.421416705e+02 2.823865901e+02 7.803683537e+01 1.367392056e+02 1.58 2.963486488e+02 1.416121540e+02 2.347520558e+02 2.964901923e+02 2.966317489e+02 7.163682929e+01 1.290033249e+02 2.585566562e+02 7.022031980e+01 1.239245582e+02 1.60 2.717699575e+02 1.290203436e+02 2.148006296e+02 2.719075966e+02 2.720452468e+02 6.453179820e+01 1.170501416e+02 2.367940861e+02 6.313523216e+01 1.122689031e+02 1.62 2.492911121e+02 1.175349610e+02 1.965734064e+02 2.494249402e+02 2.495587775e+02 5.808438295e+01 1.061705507e+02 2.169084944e+02 5.671119872e+01 1.016643223e+02 1.64 2.287217708e+02 1.070515245e+02 1.799120760e+02 2.288518791e+02 2.289819950e+02 5.223250254e+01 9.626399592e+01 1.987278638e+02 5.088480130e+01 9.201339408e+01 1.66 2.098896507e+02 9.747617717e+01 1.646736315e+02 2.100161285e+02 2.101426126e+02 4.692008027e+01 8.723978231e+01 1.820967383e+02 4.559894961e+01 8.322801319e+01 1.68 1.926387465e+02 8.872456837e+01 1.507288333e+02 1.927616810e+02 1.928846206e+02 4.209644858e+01 7.901607221e+01 1.668746301e+02 4.080223425e+01 7.522845457e+01 1.70 1.768277431e+02 8.072085123e+01 1.379608317e+02 1.769472197e+02 1.770667006e+02 3.771581690e+01 7.151899109e+01 1.529344358e+02 3.644835178e+01 6.794255708e+01 1.72 1.623287047e+02 7.339680190e+01 1.262639314e+02 1.624448069e+02 1.625609125e+02 3.373683150e+01 6.468186488e+01 1.401611425e+02 3.249560933e+01 6.130504671e+01 1.74 1.490257157e+02 6.669101081e+01 1.155424913e+02 1.491385252e+02 1.492513374e+02 3.012212041e+01 5.844447702e+01 1.284506236e+02 2.890643342e+01 5.525683857e+01 1.76 1.368136254e+02 6.054813233e+01 1.057099362e+02 1.369232220e+02 1.370328208e+02 2.683787274e+01 5.275239078e+01 1.177085463e+02 2.564689671e+01 4.974439458e+01 1.78 1.255970134e+02 5.491814267e+01 9.668786561e+01 1.257034752e+02 1.258099388e+02 2.385349250e+01 4.755637314e+01 1.078494218e+02 2.268628976e+01 4.471919050e+01 1.80 1.152892627e+02 4.975588830e+01 8.840525433e+01 1.153926661e+02 1.154960708e+02 2.114128822e+01 4.281184110e+01 9.879575352e+01 1.999688284e+01 4.013723347e+01 1.82 1.058117223e+02 4.502062825e+01 8.079773222e+01 1.059121419e+02 1.060125626e+02 1.867619311e+01 3.847840101e+01 9.047726911e+01 1.755364490e+01 3.595863034e+01 1.84 9.709295438e+01 4.067557383e+01 7.380693759e+01 9.719046335e+01 9.728797314e+01 1.643551346e+01 3.451958469e+01 8.283022813e+01 1.533397713e+01 3.214719932e+01 1.86 8.906805084e+01 3.668755891e+01 6.737993513e+01 8.916272054e+01 8.925739086e+01 1.439872841e+01 3.090233725e+01 7.579679414e+01 1.331756920e+01 2.867006662e+01 1.88 8.167801355e+01 3.302675870e+01 6.146869102e+01 8.176991382e+01 8.186181456e+01 1.254731514e+01 2.759661417e+01 6.932446617e+01 1.148618248e+01 2.549728934e+01 1.90 7.486921113e+01 2.966610645e+01 5.602960011e+01 7.495841029e+01 7.504760978e+01 1.086449746e+01 2.457513052e+01 6.336557646e+01 9.823272966e+00 2.260170184e+01 1.92 6.859287849e+01 2.658094697e+01 5.102305946e+01 6.867944332e+01 6.876600837e+01 9.335070323e+00 2.181310812e+01 5.787673186e+01 8.313799573e+00 1.995867334e+01 1.94 6.280466206e+01 2.374880450e+01 4.641308365e+01 6.288865786e+01 6.297265381e+01 7.945251101e+00 1.928804037e+01 5.281842541e+01 6.944086499e+00 1.754586829e+01 1.96 5.746419782e+01 2.114917555e+01 4.216695815e+01 5.754568845e+01 5.762717916e+01 6.682541701e+00 1.697947585e+01 4.815477138e+01 5.701695942e+00 1.534302427e+01 1.98 5.253458909e+01 1.876332423e+01 3.825492611e+01 5.261363696e+01 5.269268488e+01 5.535556903e+00 1.486877553e+01 4.385311463e+01 4.575277463e+00 1.333168080e+01 2.00 4.798214218e+01 1.657412357e+01 3.464989407e+01 4.805880833e+01 4.813547449e+01 4.493938642e+00 1.293896251e+01 3.988374218e+01 3.554483518e+00 1.149503837e+01 2.02 4.377619889e+01 1.456592404e+01 3.132714173e+01 4.385054297e+01 4.392488703e+01 3.548302403e+00 1.117460987e+01 3.621964677e+01 2.629917982e+00 9.817866730e+00 2.04 3.988885511e+01 1.272451952e+01 2.826409016e+01 3.996093543e+01 4.003301572e+01 2.690145454e+00 9.561695811e+00 3.283627038e+01 1.793137709e+00 8.286357057e+00 2.06 3.629470254e+01 1.103702097e+01 2.544010837e+01 3.636457611e+01 3.643444963e+01 1.911762635e+00 8.087474590e+00 2.971126812e+01 1.036525340e+00 6.887986389e+00 2.08 3.297059440e+01 9.491555240e+00 2.283633766e+01 3.303831692e+01 3.310603940e+01 1.206170001e+00 6.740425929e+00 2.682429571e+01 3.531414200e-01 5.611394730e+00 2.10 2.989543253e+01 8.077145169e+00 2.043553152e+01 2.996105846e+01 3.002668435e+01 5.670355067e-01 5.510082990e+00 2.415681764e+01 -2.633386083e-01 4.446273497e+00 2.12 2.704997480e+01 6.783640286e+00 1.822191039e+01 2.711355735e+01 2.717713985e+01 -1.138367534e-02 4.386778665e+00 2.169193363e+01 -8.186827257e-01 3.383264621e+00 2.14 2.441666311e+01 5.601597599e+00 1.618102927e+01 2.447825429e+01 2.453984542e+01 -5.342980419e-01 3.361698371e+00 1.941422471e+01 -1.318239088e+00 2.413905668e+00 2.16 2.197947431e+01 4.522044235e+00 1.429965736e+01 2.203912493e+01 2.209877550e+01 -1.006437643e+00 2.426860801e+00 1.730962089e+01 -1.766981406e+00 1.530662894e+00 2.18 1.972376494e+01 3.536649380e+00 1.256566875e+01 1.978152466e+01 1.983928433e+01 -1.432097083e+00 1.574993306e+00 1.536526109e+01 -2.169433982e+00 7.267110759e-01 2.20 1.763613734e+01 2.637748371e+00 1.096794289e+01 1.769205468e+01 1.774797198e+01 -1.815179712e+00 7.994392662e-01 1.356940513e+01 -2.529706868e+00 -4.181642918e-03 2.22 1.570432231e+01 1.818289567e+00 9.496274205e+00 1.575844468e+01 1.581256701e+01 -2.159234853e+00 9.410037844e-02 1.191146556e+01 -2.851534661e+00 -6.677101400e-01 2.24 1.391707297e+01 1.071785493e+00 8.141289976e+00 1.396944669e+01 1.402182037e+01 -2.467492209e+00 -5.466128651e-01 1.038174970e+01 -3.138311684e+00 -1.269083282e+00 2.26 1.226407790e+01 3.922690311e-01 6.894375694e+00 1.231474822e+01 1.236541850e+01 -2.742890029e+00 -1.127823205e+00 8.971272283e+00 -3.393121678e+00 -1.813065460e+00 2.28 1.073604715e+01 -2.257262994e-01 5.747607331e+00 1.078505828e+01 1.083406937e+01 -2.988045505e+00 -1.654169909e+00 7.671744956e+00 -3.618723488e+00 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