# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Castin-N-Bullens-J-et-al--Fe-Cr-W # implementation = 2013--Bonny-G--Fe-Cr-W--LAMMPS--ipr1 # composition = Cr # 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 8.450545837e+02 nan 0.70 nan nan nan nan nan nan nan nan 7.603684405e+02 nan 0.72 nan nan nan nan nan nan nan nan 6.854944441e+02 nan 0.74 nan nan nan nan nan 5.329264290e+02 nan nan 6.190412775e+02 nan 0.76 nan nan nan nan nan 4.822082022e+02 nan nan 5.598689548e+02 nan 0.78 nan nan nan nan nan 4.369310501e+02 nan nan 5.070534074e+02 nan 0.80 nan nan nan nan nan 3.963204730e+02 nan nan 4.598463596e+02 nan 0.82 nan nan nan nan nan 3.598195528e+02 nan nan 4.176108711e+02 nan 0.84 nan nan nan 8.336304088e+02 8.337076719e+02 3.269878836e+02 nan nan 3.797663017e+02 5.477290504e+02 0.86 nan 4.943576715e+02 nan 7.643364226e+02 7.644340529e+02 2.974621355e+02 5.069080104e+02 nan 3.457873941e+02 5.004062596e+02 0.88 nan 4.519646974e+02 nan 7.016882389e+02 7.017629008e+02 2.709197459e+02 4.636081890e+02 nan 3.152143653e+02 4.577303564e+02 0.90 nan 4.136581078e+02 nan 6.449569037e+02 6.449814292e+02 2.470281392e+02 4.244324074e+02 nan 2.876404783e+02 4.191823330e+02 0.92 nan 3.789761797e+02 nan 5.935100213e+02 5.934694483e+02 2.254722759e+02 3.889430242e+02 nan 2.627077482e+02 3.842708649e+02 0.94 nan 3.474796338e+02 nan 5.467646508e+02 5.466715461e+02 2.059694200e+02 3.567618180e+02 nan 2.401166784e+02 3.525902580e+02 0.96 5.043490571e+02 3.188263964e+02 4.517444550e+02 5.042090128e+02 5.041008697e+02 1.882778866e+02 3.275348593e+02 4.673049069e+02 2.195943490e+02 3.237989752e+02 0.98 4.654537757e+02 2.927325887e+02 4.165243444e+02 4.653910576e+02 4.653081369e+02 1.721842051e+02 3.009420352e+02 4.309097993e+02 2.009004485e+02 2.976112282e+02 1.00 4.298743055e+02 2.689300433e+02 3.842602871e+02 4.299001270e+02 4.298681888e+02 1.575139118e+02 2.767088644e+02 3.976308832e+02 1.838350543e+02 2.737707468e+02 1.02 3.972889304e+02 2.471762589e+02 3.546671241e+02 3.973889596e+02 3.974183632e+02 1.441294524e+02 2.546204377e+02 3.671699540e+02 1.682372596e+02 2.520390533e+02 1.04 3.674219302e+02 2.272977737e+02 3.275119461e+02 3.675689762e+02 3.676583851e+02 1.319119370e+02 2.344669985e+02 3.392712311e+02 1.539690026e+02 2.321752371e+02 1.06 3.400432993e+02 2.091312612e+02 3.025969740e+02 3.401904473e+02 3.403215549e+02 1.207538548e+02 2.160450272e+02 3.137038455e+02 1.408990571e+02 2.139804521e+02 1.08 3.149056878e+02 1.925077854e+02 2.797565328e+02 3.150209403e+02 3.151635181e+02 1.105652911e+02 1.991707864e+02 2.902401035e+02 1.289223882e+02 1.972662507e+02 1.10 2.917953527e+02 1.772782276e+02 2.588213831e+02 2.918612324e+02 2.919796961e+02 1.012552098e+02 1.836813877e+02 2.686897571e+02 1.179533248e+02 1.818824109e+02 1.12 2.705306727e+02 1.633124637e+02 2.396085185e+02 2.705451683e+02 2.706142385e+02 9.273003107e+01 1.694263134e+02 2.488847648e+02 1.079132453e+02 1.676905355e+02 1.14 2.509498682e+02 1.504886370e+02 2.219378606e+02 2.509177421e+02 2.509258515e+02 8.489666120e+01 1.562704977e+02 2.306641677e+02 9.872092412e+01 1.545692948e+02 1.16 2.329062824e+02 1.386846285e+02 2.056689111e+02 2.328358872e+02 2.327830054e+02 7.767891142e+01 1.441031701e+02 2.138812359e+02 9.030421266e+01 1.424335136e+02 1.18 2.162554741e+02 1.277981782e+02 1.906832931e+02 2.161610934e+02 2.160587744e+02 7.101389757e+01 1.328348381e+02 1.984038109e+02 8.259261107e+01 1.312095764e+02 1.20 2.008782537e+02 1.177381572e+02 1.768608315e+02 2.007717392e+02 2.006395918e+02 6.484235026e+01 1.223936629e+02 1.841117039e+02 7.552115711e+01 1.208374684e+02 1.22 1.866571077e+02 1.084268391e+02 1.640861894e+02 1.865542241e+02 1.864166748e+02 5.911896480e+01 1.127171012e+02 1.708898380e+02 6.902822538e+01 1.112631451e+02 1.24 1.734893324e+02 9.979393496e+01 1.522626480e+02 1.733982086e+02 1.732756606e+02 5.381126708e+01 1.037527567e+02 1.586258678e+02 6.305316872e+01 1.024434527e+02 1.26 1.612731571e+02 9.177322538e+01 1.413120303e+02 1.611995225e+02 1.611085766e+02 4.889587504e+01 9.545365814e+01 1.472248081e+02 5.754211488e+01 9.432899797e+01 1.28 1.499021284e+02 8.432019829e+01 1.311504751e+02 1.498598180e+02 1.498145216e+02 4.434540710e+01 8.777892138e+01 1.366081374e+02 5.244712256e+01 8.686358085e+01 1.30 1.392952352e+02 7.740353772e+01 1.216938768e+02 1.392977860e+02 1.393059534e+02 4.013235254e+01 8.068764949e+01 1.267187253e+02 4.772868457e+01 7.999384891e+01 1.32 1.294009669e+02 7.099448574e+01 1.128666586e+02 1.294521535e+02 1.295122546e+02 3.623267559e+01 7.413746223e+01 1.175070403e+02 4.335149024e+01 7.366665672e+01 1.34 1.201746977e+02 6.506453340e+01 1.046108511e+02 1.202687561e+02 1.203719760e+02 3.262158648e+01 6.808658031e+01 1.089293765e+02 3.928568950e+01 6.783158029e+01 1.36 1.115774183e+02 5.957929560e+01 9.687774167e+01 1.116997175e+02 1.118316335e+02 2.927184567e+01 6.249460937e+01 1.009448866e+02 3.550566361e+01 6.244021458e+01 1.38 1.035672356e+02 5.450513727e+01 8.963383318e+01 1.037022934e+02 1.038469460e+02 2.616254035e+01 5.733000241e+01 9.351639839e+01 3.198714916e+01 5.743963695e+01 1.40 9.610057365e+01 4.980845537e+01 8.284714694e+01 9.623582483e+01 9.637758894e+01 2.327341612e+01 5.256015920e+01 8.660456872e+01 2.870672839e+01 5.278013231e+01 1.42 8.914698550e+01 4.545455518e+01 7.649534480e+01 8.926761690e+01 8.939054689e+01 2.058894815e+01 4.815216792e+01 8.017252131e+01 2.564532072e+01 4.843114401e+01 1.44 8.267416611e+01 4.140914276e+01 7.056021587e+01 8.276514491e+01 8.285528846e+01 1.809559265e+01 4.407388816e+01 7.418084386e+01 2.278529051e+01 4.436642733e+01 1.46 7.664233941e+01 3.764127118e+01 6.502547267e+01 7.669355790e+01 7.674290073e+01 1.578070159e+01 4.029273220e+01 6.859360976e+01 2.011068789e+01 4.056134439e+01 1.48 7.101199013e+01 3.412288029e+01 5.986958386e+01 7.102031921e+01 7.102659251e+01 1.362958020e+01 3.677654939e+01 6.337812003e+01 1.760932563e+01 3.699068605e+01 1.50 6.574652226e+01 3.083386502e+01 5.507467283e+01 6.571459134e+01 6.568009158e+01 1.163370890e+01 3.349866995e+01 5.850364522e+01 1.527039280e+01 3.363207119e+01 1.52 6.081211974e+01 2.775852148e+01 5.062139468e+01 6.074689124e+01 6.067819530e+01 9.785046840e+00 3.043356743e+01 5.394050818e+01 1.308443592e+01 3.046593549e+01 1.54 5.618561547e+01 2.488271102e+01 4.648829079e+01 5.609488741e+01 5.600076359e+01 8.077809931e+00 2.755623973e+01 4.966678421e+01 1.104279180e+01 2.748263782e+01 1.56 5.184957538e+01 2.219390246e+01 4.265509877e+01 5.174129799e+01 5.163145148e+01 6.573569358e+00 2.484602170e+01 4.566236329e+01 9.138123640e+00 2.467468958e+01 1.58 4.778012085e+01 1.968328739e+01 3.910225663e+01 4.766571624e+01 4.755149209e+01 5.281747301e+00 2.228756777e+01 4.190893653e+01 7.398218135e+00 2.203319018e+01 1.60 4.395925799e+01 1.734321836e+01 3.580776849e+01 4.385026459e+01 4.374242218e+01 4.175695089e+00 1.986827295e+01 3.839190434e+01 5.880433725e+00 1.955013422e+01 1.62 4.037295998e+01 1.516585053e+01 3.274630079e+01 4.027808240e+01 4.018452602e+01 3.231621461e+00 1.757697912e+01 3.509679498e+01 4.560395889e+00 1.721836775e+01 1.64 3.700830312e+01 1.314154483e+01 2.989631310e+01 3.693403736e+01 3.686048560e+01 2.428872996e+00 1.540714205e+01 3.200955022e+01 3.414314027e+00 1.503151632e+01 1.66 3.385337275e+01 1.125971006e+01 2.723420977e+01 3.380346823e+01 3.375373406e+01 1.747479328e+00 1.335391249e+01 2.911826966e+01 2.421635815e+00 1.298391999e+01 1.68 3.089711910e+01 9.508648647e+00 2.473914592e+01 3.087312519e+01 3.084913128e+01 1.170215941e+00 1.141346142e+01 2.641291538e+01 1.564418761e+00 1.107051049e+01 1.70 2.812691924e+01 7.900850970e+00 2.239265623e+01 2.812908976e+01 2.813126028e+01 6.820220358e-01 9.582579186e+00 2.388274400e+01 8.262843883e-01 9.282368701e+00 1.72 2.553184935e+01 6.494047864e+00 2.017939361e+01 2.555890989e+01 2.558597044e+01 2.693345049e-01 7.886189325e+00 2.151739602e+01 1.919489841e-01 7.632292356e+00 1.74 2.310329780e+01 5.266335975e+00 1.808550687e+01 2.315181022e+01 2.320032264e+01 -8.011213720e-02 6.381935001e+00 1.930622023e+01 -3.526347843e-01 6.177966518e+00 1.76 2.083112434e+01 4.192123058e+00 1.609773002e+01 2.089514570e+01 2.095916706e+01 -3.774553893e-01 5.051741400e+00 1.723753110e+01 -8.193610823e-01 4.902616637e+00 1.78 1.870434750e+01 3.247997596e+00 1.420573579e+01 1.877691194e+01 1.884947638e+01 -6.316525727e-01 3.876982055e+00 1.529975482e+01 -1.218053977e+00 3.785168891e+00 1.80 1.671247073e+01 2.413390727e+00 1.240556517e+01 1.678725258e+01 1.686203443e+01 -8.478049759e-01 2.841669611e+00 1.348273357e+01 -1.556963608e+00 2.806970638e+00 1.82 1.484550615e+01 1.670136060e+00 1.069464961e+01 1.491707286e+01 1.498863958e+01 -1.029778310e+00 1.930418842e+00 1.177679910e+01 -1.842911754e+00 1.951557548e+00 1.84 1.309394917e+01 1.005538342e+00 9.072663974e+00 1.315775447e+01 1.322155978e+01 -1.180627214e+00 1.129955261e+00 1.017198167e+01 -2.081866466e+00 1.204394205e+00 1.86 1.144665094e+01 4.091395882e-01 7.593528133e+00 1.149949683e+01 1.155234272e+01 -1.303548942e+00 4.284718633e-01 8.662316403e+00 -2.279343910e+00 5.514177410e-01 1.88 9.893194933e+00 -1.280298507e-01 6.276266054e+00 9.933114585e+00 9.973034236e+00 -1.402106094e+00 -1.846308253e-01 7.299272780e+00 -2.440832136e+00 -1.936188022e-02 1.90 8.436397004e+00 -6.128339912e-01 5.104130287e+00 8.462430154e+00 8.488463304e+00 -1.479496435e+00 -7.190553257e-01 6.081196804e+00 -2.570918625e+00 -5.177927424e-01 1.92 7.126537259e+00 -1.050829994e+00 4.061980266e+00 7.139114012e+00 7.151690765e+00 -1.538553376e+00 -1.183309941e+00 4.988141862e+00 -2.673078784e+00 -9.531237997e-01 1.94 5.951782243e+00 -1.446704444e+00 3.136583889e+00 5.952608314e+00 5.953434386e+00 -1.581791100e+00 -1.584574017e+00 4.002732714e+00 -2.750371609e+00 -1.333729374e+00 1.96 4.891811555e+00 -1.804310475e+00 2.316379269e+00 4.883696051e+00 4.875580547e+00 -1.611458913e+00 -1.929265871e+00 3.112623785e+00 -2.805696558e+00 -1.666939640e+00 1.98 3.932873091e+00 -2.126434481e+00 1.589973395e+00 3.918815813e+00 3.904758534e+00 -1.630225569e+00 -2.223650981e+00 2.308259687e+00 -2.841885021e+00 -1.957826664e+00 2.00 3.064595090e+00 -2.415126347e+00 9.454651474e-01 3.047119083e+00 3.029643076e+00 -1.641459336e+00 -2.473584661e+00 1.581457983e+00 -2.861547704e+00 -2.210278605e+00 2.02 2.278054528e+00 -2.672242215e+00 3.719864501e-01 2.259179445e+00 2.240304362e+00 -1.648405959e+00 -2.684021573e+00 9.247846573e-01 -2.867231065e+00 -2.427653235e+00 2.04 1.565607609e+00 -2.900205688e+00 -1.403013795e-01 1.546855717e+00 1.528103825e+00 -1.654145107e+00 -2.859457664e+00 3.320772287e-01 -2.861704510e+00 -2.612842513e+00 2.06 9.207278651e-01 -3.101245924e+00 -6.003360375e-01 9.031329605e-01 8.855380559e-01 -1.661610561e+00 -3.004043692e+00 -2.017215597e-01 -2.847697149e+00 -2.768331499e+00 2.08 3.373715878e-01 -3.277343593e+00 -1.016061755e+00 3.216527539e-01 3.059339200e-01 -1.673137692e+00 -3.121652209e+00 -6.809974207e-01 -2.827664169e+00 -2.896360950e+00 2.10 -1.892978249e-01 -3.430375952e+00 -1.392526872e+00 -2.026434450e-01 -2.159890651e-01 -1.688924349e+00 -3.215501175e+00 -1.109643453e+00 -2.803043265e+00 -2.998802474e+00 2.12 -6.630729188e-01 -3.562313350e+00 -1.733473295e+00 -6.737860810e-01 -6.844992433e-01 -1.708524461e+00 -3.288441549e+00 -1.491374411e+00 -2.774935755e+00 -3.077199812e+00 2.14 -1.087243881e+00 -3.674932159e+00 -2.042106293e+00 -1.095292902e+00 -1.103341923e+00 -1.731404941e+00 -3.343002153e+00 -1.829502889e+00 -2.744388292e+00 -3.133188746e+00 2.16 -1.464824295e+00 -3.769751359e+00 -2.321316937e+00 -1.470447820e+00 -1.476071345e+00 -1.756958011e+00 -3.381542815e+00 -2.127509930e+00 -2.712311393e+00 -3.168827182e+00 2.18 -1.798844413e+00 -3.848018795e+00 -2.574037693e+00 -1.802622791e+00 -1.806401169e+00 -1.784549480e+00 -3.406208149e+00 -2.389532005e+00 -2.679497338e+00 -3.186227037e+00 2.20 -2.093491545e+00 -3.910940908e+00 -2.802290324e+00 -2.095956054e+00 -2.098420563e+00 -1.813528707e+00 -3.418968951e+00 -2.619465106e+00 -2.646670015e+00 -3.187876886e+00 2.22 -2.352860225e+00 -3.959672908e+00 -3.007738560e+00 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