# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Kim-Y-K-Jung-W-S-Lee-B-J--Ni-Al-Co # implementation = 2015--Kim-Y-K--Ni-Al-Co--LAMMPS--ipr1 # composition = AlNi3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 3.978596221e+02 nan nan 0.86 3.688321174e+02 nan nan 0.88 3.417959041e+02 nan nan 0.90 3.166188989e+02 nan nan 0.92 2.931775985e+02 3.678904402e+02 nan 0.94 2.713565283e+02 3.432415294e+02 3.960744594e+02 0.96 2.510477257e+02 3.201350129e+02 3.706444434e+02 0.98 2.321502580e+02 2.984781967e+02 3.467357217e+02 1.00 2.145697699e+02 2.781837904e+02 3.242611850e+02 1.02 1.982180612e+02 2.591695995e+02 3.031385493e+02 1.04 1.830126909e+02 2.413582365e+02 2.832900953e+02 1.06 1.688766068e+02 2.246768461e+02 2.646424218e+02 1.08 1.557377994e+02 2.090568475e+02 2.471262125e+02 1.10 1.435289768e+02 1.944336896e+02 2.306760147e+02 1.12 1.321872615e+02 1.807466210e+02 2.152300297e+02 1.14 1.216539059e+02 1.679384717e+02 2.007299147e+02 1.16 1.118740262e+02 1.559554486e+02 1.871205950e+02 1.18 1.027963536e+02 1.447469406e+02 1.743500864e+02 1.20 9.437300058e+01 1.342653360e+02 1.623693264e+02 1.22 8.655924271e+01 1.244658497e+02 1.511320155e+02 1.24 7.931331445e+01 1.153063598e+02 1.405944658e+02 1.26 7.259621756e+01 1.067472543e+02 1.307154583e+02 1.28 6.637154203e+01 9.875128517e+01 1.214561080e+02 1.30 6.060529834e+01 9.128343170e+01 1.127797355e+02 1.32 5.526576043e+01 8.431077119e+01 1.046517459e+02 1.34 5.032331872e+01 7.780235690e+01 9.703951471e+01 1.36 4.575034251e+01 7.172910303e+01 8.991227845e+01 1.38 4.152105116e+01 6.606367616e+01 8.324103265e+01 1.40 3.761139353e+01 6.078039290e+01 7.699843434e+01 1.42 3.399893509e+01 5.585512332e+01 7.115871017e+01 1.44 3.066275231e+01 5.126519993e+01 6.569756939e+01 1.46 2.758333379e+01 4.698933183e+01 6.059212151e+01 1.48 2.474248769e+01 4.300752375e+01 5.582079845e+01 1.50 2.212325517e+01 3.930099974e+01 5.136328079e+01 1.52 1.970982934e+01 3.585213123e+01 4.720042814e+01 1.54 1.748747941e+01 3.264436922e+01 4.331421318e+01 1.56 1.544247977e+01 2.966218037e+01 3.968765932e+01 1.58 1.356204359e+01 2.689098673e+01 3.630478172e+01 1.60 1.183426069e+01 2.431710900e+01 3.315053158e+01 1.62 1.024803950e+01 2.192771305e+01 3.021074336e+01 1.64 8.793052652e+00 1.971075947e+01 2.747208494e+01 1.66 7.459686192e+00 1.765495616e+01 2.492201053e+01 1.68 6.238992026e+00 1.574971354e+01 2.254871610e+01 1.70 5.122643479e+00 1.398510246e+01 2.034109726e+01 1.72 4.102893703e+00 1.235181449e+01 1.828870949e+01 1.74 3.172536841e+00 1.084112460e+01 1.638173049e+01 1.76 2.324871666e+00 9.444855914e+00 1.461092469e+01 1.78 1.553667641e+00 8.155346626e+00 1.296760962e+01 1.80 8.531331509e-01 6.965418789e+00 1.144362423e+01 1.82 2.178858526e-01 5.868348960e+00 1.003129887e+01 1.84 -3.570750668e-01 4.857840566e+00 8.723427031e+00 1.86 -8.763947797e-01 3.927997888e+00 7.513238562e+00 1.88 -1.344387035e+00 3.073301589e+00 6.394374455e+00 1.90 -1.765056751e+00 2.288585685e+00 5.360862982e+00 1.92 -2.142121149e+00 1.569015871e+00 4.407097189e+00 1.94 -2.479029458e+00 9.100691403e-01 3.527813643e+00 1.96 -2.778981341e+00 3.075146115e-01 2.718072368e+00 1.98 -3.044944081e+00 -2.426045099e-01 1.973237916e+00 2.00 -3.279668638e+00 -7.439878871e-01 1.288961487e+00 2.02 -3.485704623e+00 -1.200093999e+00 6.611640761e-01 2.04 -3.665414286e+00 -1.614155134e+00 8.602055879e-02 2.06 -3.820985558e+00 -1.989191484e+00 -4.400553179e-01 2.08 -3.954444223e+00 -2.328024394e+00 -9.204250929e-01 2.10 -4.067665276e+00 -2.633288809e+00 -1.358238944e+00 2.12 -4.162383510e+00 -2.907444981e+00 -1.756448283e+00 2.14 -4.240203392e+00 -3.152789455e+00 -2.117817623e+00 2.16 -4.302608273e+00 -3.371465405e+00 -2.444935784e+00 2.18 -4.350968972e+00 -3.565472332e+00 -2.740226432e+00 2.20 -4.386551772e+00 -3.736675176e+00 -3.005958037e+00 2.22 -4.410525883e+00 -3.886812875e+00 -3.244253241e+00 2.24 -4.423970385e+00 -4.017506399e+00 -3.457097689e+00 2.26 -4.427880703e+00 -4.130266296e+00 -3.646348354e+00 2.28 -4.423174628e+00 -4.226499768e+00 -3.813741375e+00 2.30 -4.410697940e+00 -4.307517324e+00 -3.960899437e+00 2.32 -4.391229627e+00 -4.374539011e+00 -4.089338727e+00 2.34 -4.365486752e+00 -4.428700268e+00 -4.200475481e+00 2.36 -4.334128980e+00 -4.471057417e+00 -4.295632146e+00 2.38 -4.297762793e+00 -4.502592812e+00 -4.376043179e+00 2.40 -4.256945407e+00 -4.524219668e+00 -4.442860512e+00 2.42 -4.212188415e+00 -4.536786589e+00 -4.497158688e+00 2.44 -4.163961183e+00 -4.541081816e+00 -4.539939693e+00 2.46 -4.112693993e+00 -4.537837203e+00 -4.572137507e+00 2.48 -4.058780978e+00 -4.527731952e+00 -4.594622376e+00 2.50 -4.002582840e+00 -4.511396105e+00 -4.608204840e+00 2.52 -3.944429379e+00 -4.489413820e+00 -4.613639509e+00 2.54 -3.884621842e+00 -4.462326437e+00 -4.611628620e+00 2.56 -3.823435936e+00 -4.430635355e+00 -4.602825378e+00 2.58 -3.761131608e+00 -4.394804718e+00 -4.587837094e+00 2.60 -3.697932757e+00 -4.355263936e+00 -4.567228137e+00 2.62 -3.634022442e+00 -4.312410043e+00 -4.541522703e+00 2.64 -3.569607083e+00 -4.266609902e+00 -4.511207417e+00 2.66 -3.504857280e+00 -4.218202270e+00 -4.476733779e+00 2.68 -3.439927415e+00 -4.167499731e+00 -4.438520455e+00 2.70 -3.374956933e+00 -4.114790501e+00 -4.396955431e+00 2.72 -3.310071540e+00 -4.060340116e+00 -4.352398034e+00 2.74 -3.245384303e+00 -4.004393014e+00 -4.305180829e+00 2.76 -3.180996679e+00 -3.947174007e+00 -4.255611394e+00 2.78 -3.116999457e+00 -3.888889664e+00 -4.203973991e+00 2.80 -3.053473638e+00 -3.829729600e+00 -4.150531127e+00 2.82 -2.990491242e+00 -3.769867676e+00 -4.095525024e+00 2.84 -2.928116060e+00 -3.709463126e+00 -4.039178986e+00 2.86 -2.866404344e+00 -3.648661605e+00 -3.981698694e+00 2.88 -2.805405450e+00 -3.587596171e+00 -3.923273406e+00 2.90 -2.745162427e+00 -3.526388194e+00 -3.864077087e+00 2.92 -2.685712561e+00 -3.465148215e+00 -3.804269471e+00 2.94 -2.627087883e+00 -3.403976734e+00 -3.743997044e+00 2.96 -2.569315627e+00 -3.342964958e+00 -3.683393975e+00 2.98 -2.512418664e+00 -3.282195489e+00 -3.622582981e+00 3.00 -2.456415892e+00 -3.221742967e+00 -3.561676136e+00 3.02 -2.401322602e+00 -3.161674672e+00 -3.500775633e+00 3.04 -2.347150813e+00 -3.102051083e+00 -3.439974487e+00 3.06 -2.293909574e+00 -3.042926396e+00 -3.379357200e+00 3.08 -2.241605256e+00 -2.984349009e+00 -3.319000382e+00 3.10 -2.190241805e+00 -2.926361974e+00 -3.258973321e+00 3.12 -2.139820984e+00 -2.869003412e+00 -3.199338944e+00 3.14 -2.090342592e+00 -2.812306907e+00 -3.140198629e+00 3.16 -2.041804663e+00 -2.756301866e+00 -3.081799404e+00 3.18 -1.994203656e+00 -2.701013856e+00 -3.024121057e+00 3.20 -1.947534618e+00 -2.646464914e+00 -2.966547458e+00 3.22 -1.901791342e+00 -2.592673839e+00 -2.909584983e+00 3.24 -1.856966508e+00 -2.539656462e+00 -2.853274199e+00 3.26 -1.813051811e+00 -2.487425894e+00 -2.797642498e+00 3.28 -1.770038083e+00 -2.435992758e+00 -2.742713689e+00 3.30 -1.727915396e+00 -2.385365403e+00 -2.688508283e+00 3.32 -1.686673165e+00 -2.335550103e+00 -2.635043760e+00 3.34 -1.646300231e+00 -2.286551242e+00 -2.582334819e+00 3.36 -1.606784952e+00 -2.238371482e+00 -2.530393605e+00 3.38 -1.568115267e+00 -2.191011924e+00 -2.479229924e+00 3.40 -1.530278772e+00 -2.144472248e+00 -2.428851441e+00 3.42 -1.493262772e+00 -2.098750855e+00 -2.379263867e+00 3.44 -1.457054345e+00 -2.053844984e+00 -2.330471126e+00 3.46 -1.421640385e+00 -2.009750832e+00 -2.282475516e+00 3.48 -1.387007651e+00 -1.966463656e+00 -2.235277857e+00 3.50 -1.353142806e+00 -1.923977872e+00 -2.188877623e+00 3.52 -1.320032453e+00 -1.882287146e+00 -2.143273074e+00 3.54 -1.287663168e+00 -1.841384474e+00 -2.098461367e+00 3.56 -1.256021530e+00 -1.801262259e+00 -2.054438666e+00 3.58 -1.225094147e+00 -1.761912383e+00 -2.011200243e+00 3.60 -1.194878687e+00 -1.723326266e+00 -1.968740566e+00 3.62 -1.167352059e+00 -1.685494932e+00 -1.927053390e+00 3.64 -1.153590966e+00 -1.648409054e+00 -1.886131829e+00 3.66 -1.178715047e+00 -1.612059011e+00 -1.845968431e+00 3.68 -1.206145202e+00 -1.576434930e+00 -1.806555245e+00 3.70 -1.180856177e+00 -1.541526725e+00 -1.767883879e+00 3.72 -1.156084778e+00 -1.507324140e+00 -1.729945559e+00 3.74 -1.131821301e+00 -1.473816778e+00 -1.692731181e+00 3.76 -1.108056145e+00 -1.440994134e+00 -1.656231354e+00 3.78 -1.084779816e+00 -1.408845624e+00 -1.620436448e+00 3.80 -1.061982940e+00 -1.377360612e+00 -1.585336628e+00 3.82 -1.039656263e+00 -1.346535752e+00 -1.550921896e+00 3.84 -1.017790659e+00 -1.317010594e+00 -1.517182122e+00 3.86 -9.963771304e-01 -1.290980651e+00 -1.484107070e+00 3.88 -9.754068170e-01 -1.263279754e+00 -1.451686432e+00 3.90 -9.548709932e-01 -1.228160742e+00 -1.419909847e+00 3.92 -9.347610727e-01 -1.201641032e+00 -1.388766927e+00 3.94 -9.150644744e-01 -1.175669138e+00 -1.358247277e+00 3.96 -8.922526429e-01 -1.150235703e+00 -1.328340510e+00 3.98 -8.379836688e-01 -1.125331436e+00 -1.299036269e+00 4.00 -6.773164305e-01 -1.100947123e+00 -1.270324237e+00 4.02 -3.714506465e-01 -1.077073635e+00 -1.242194154e+00 4.04 -3.274968032e-01 -1.053701931e+00 -1.214635826e+00 4.06 -3.204048792e-01 -1.030823068e+00 -1.187639137e+00 4.08 -3.134656012e-01 -1.008428202e+00 -1.161194058e+00 4.10 -3.066755814e-01 -9.865085954e-01 -1.135290657e+00 4.12 -3.000315140e-01 -9.650556194e-01 -1.109919103e+00 4.14 -2.935301732e-01 -9.440607572e-01 -1.085069675e+00 4.16 -2.871684111e-01 -9.235156069e-01 -1.060732767e+00 4.18 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