# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Samolyuk-G-D-Beland-L-K-Stocks-G-M-Stoller-R-E--Ni-Pd # implementation = 2016--Samolyuk-G-D--Ni-Pd--LAMMPS--ipr1 # composition = Pd # 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 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 nan nan nan 1.409450340e+03 nan 0.80 nan nan nan nan nan nan nan nan 1.238070946e+03 nan 0.82 nan nan nan nan nan nan nan nan 1.090649517e+03 nan 0.84 nan nan nan nan nan nan nan nan 9.635476209e+02 nan 0.86 nan nan nan nan nan 8.391603656e+02 nan nan 8.537874583e+02 nan 0.88 nan nan nan nan nan 7.509341596e+02 nan nan 7.587995174e+02 nan 0.90 nan nan nan nan nan 6.731016001e+02 nan nan 6.765599600e+02 nan 0.92 nan nan nan nan nan 6.046458639e+02 nan nan 6.052455201e+02 nan 0.94 nan nan nan nan nan 5.445048324e+02 nan nan 5.431531860e+02 nan 0.96 nan nan nan 1.243407331e+03 1.243207453e+03 4.916078998e+02 nan nan 4.888823120e+02 7.392286090e+02 0.98 nan nan nan 1.110303124e+03 1.110315980e+03 4.449758978e+02 nan nan 4.413750963e+02 6.645322652e+02 1.00 nan 5.176615081e+02 nan 9.922465726e+02 9.925091612e+02 4.037529433e+02 5.781115227e+02 nan 3.997016233e+02 5.986189928e+02 1.02 nan 4.630625880e+02 nan 8.871051264e+02 8.875794484e+02 3.673093445e+02 5.197997206e+02 nan 3.630481180e+02 5.401192391e+02 1.04 nan 4.161561505e+02 nan 7.935240072e+02 7.940957183e+02 3.352785739e+02 4.686833030e+02 nan 3.308005744e+02 4.882157623e+02 1.06 nan 3.759424493e+02 nan 7.104475712e+02 7.109616454e+02 3.072902571e+02 4.239918707e+02 nan 3.024527436e+02 4.422543997e+02 1.08 nan 3.414769248e+02 nan 6.369339432e+02 6.372661540e+02 2.829455732e+02 3.850042539e+02 nan 2.775488905e+02 4.015606300e+02 1.10 5.721213417e+02 3.118993149e+02 4.850046236e+02 5.720778606e+02 5.721671279e+02 2.618575150e+02 3.510108988e+02 5.108844108e+02 2.556901008e+02 3.655004162e+02 1.12 5.153564164e+02 2.864617741e+02 4.382196876e+02 5.149985516e+02 5.148515839e+02 2.436501219e+02 3.213090996e+02 4.606732977e+02 2.365276941e+02 3.335015272e+02 1.14 4.654057533e+02 2.645130403e+02 3.976990360e+02 4.648844098e+02 4.645546823e+02 2.279604239e+02 2.952318000e+02 4.167392526e+02 2.197571266e+02 3.050928046e+02 1.16 4.215533617e+02 2.455067343e+02 3.626381479e+02 4.210138438e+02 4.205796760e+02 2.135740147e+02 2.722619403e+02 3.783989572e+02 2.051320054e+02 2.799127785e+02 1.18 3.831723742e+02 2.290338087e+02 3.322934870e+02 3.827171829e+02 3.822670711e+02 1.992725629e+02 2.519799930e+02 3.450445106e+02 1.924716662e+02 2.576718879e+02 1.20 3.496856955e+02 2.147552727e+02 3.059856766e+02 3.493748776e+02 3.489818953e+02 1.853566139e+02 2.340304953e+02 3.161303549e+02 1.816018874e+02 2.381504669e+02 1.22 3.205703935e+02 2.023438386e+02 2.831146620e+02 3.204203229e+02 3.201335191e+02 1.720219123e+02 2.181581402e+02 2.911520088e+02 1.715036376e+02 2.211291752e+02 1.24 2.953595457e+02 1.914849032e+02 2.632090232e+02 2.953551009e+02 2.952036622e+02 1.593776465e+02 2.041702018e+02 2.696519683e+02 1.613054311e+02 2.063828030e+02 1.26 2.736046471e+02 1.818728201e+02 2.458772328e+02 2.737210132e+02 2.737156285e+02 1.474696507e+02 1.918982304e+02 2.511967997e+02 1.511764203e+02 1.936998310e+02 1.28 2.548873052e+02 1.732921274e+02 2.307617070e+02 2.550911287e+02 2.552188091e+02 1.363036787e+02 1.811781792e+02 2.353715437e+02 1.412469110e+02 1.828888007e+02 1.30 2.388142978e+02 1.656289868e+02 2.175273680e+02 2.390501903e+02 2.392769747e+02 1.258694432e+02 1.718577578e+02 2.217727684e+02 1.316131258e+02 1.737412510e+02 1.32 2.249892138e+02 1.587402136e+02 2.058573097e+02 2.252020999e+02 2.254809160e+02 1.161529934e+02 1.637940603e+02 2.100035995e+02 1.223451136e+02 1.660326516e+02 1.34 2.130358953e+02 1.515539796e+02 1.955187122e+02 2.132003818e+02 2.134901250e+02 1.071434290e+02 1.566191966e+02 1.996966566e+02 1.134843818e+02 1.590300745e+02 1.36 2.026076289e+02 1.438297398e+02 1.863097164e+02 2.027217174e+02 2.029871420e+02 9.880385798e+01 1.492751833e+02 1.905215049e+02 1.050474317e+02 1.516915043e+02 1.38 1.933785805e+02 1.358028242e+02 1.780418425e+02 1.934599253e+02 1.936772665e+02 9.108396699e+01 1.417224801e+02 1.822085231e+02 9.703333274e+01 1.440970733e+02 1.40 1.850513367e+02 1.276505304e+02 1.705256099e+02 1.851256646e+02 1.852859623e+02 8.391976712e+01 1.340356492e+02 1.745932024e+02 8.942837905e+01 1.363330238e+02 1.42 1.773853597e+02 1.195135571e+02 1.635999489e+02 1.774756442e+02 1.775807853e+02 7.724712683e+01 1.262839704e+02 1.675655077e+02 8.222076544e+01 1.284719903e+02 1.44 1.702746601e+02 1.115061249e+02 1.571505453e+02 1.703953533e+02 1.704541227e+02 7.103646656e+01 1.185621220e+02 1.610653351e+02 7.542009900e+01 1.206123146e+02 1.46 1.636708501e+02 1.037193900e+02 1.503917509e+02 1.638199530e+02 1.638442174e+02 6.526583012e+01 1.109550848e+02 1.548613712e+02 6.903530729e+01 1.128463346e+02 1.48 1.575626826e+02 9.621976236e+01 1.432531269e+02 1.577094613e+02 1.577076171e+02 5.990939480e+01 1.035253495e+02 1.481424119e+02 6.306826199e+01 1.052511267e+02 1.50 1.512260517e+02 8.904619998e+01 1.359291912e+02 1.513150598e+02 1.512963009e+02 5.493962772e+01 9.631317237e+01 1.410293433e+02 5.751181812e+01 9.788122095e+01 1.52 1.444161864e+02 8.222000913e+01 1.285499037e+02 1.444481920e+02 1.444279614e+02 5.032395695e+01 8.934472115e+01 1.337019771e+02 5.235219713e+01 9.077998893e+01 1.54 1.373207182e+02 7.575187869e+01 1.212030296e+02 1.373141064e+02 1.373023353e+02 4.602972309e+01 8.264117931e+01 1.263023784e+02 4.757094271e+01 8.398254279e+01 1.56 1.300881018e+02 6.964448275e+01 1.139656588e+02 1.300685980e+02 1.300705293e+02 4.203959217e+01 7.622385271e+01 1.189421491e+02 4.315202521e+01 7.751629320e+01 1.58 1.228381266e+02 6.389007728e+01 1.068875534e+02 1.228280257e+02 1.228445165e+02 3.833306618e+01 7.011053619e+01 1.117071933e+02 3.907371097e+01 7.140084942e+01 1.60 1.156624990e+02 5.847431950e+01 9.999703357e+01 1.156765900e+02 1.157058069e+02 3.488970913e+01 6.431811108e+01 1.046602447e+02 3.531182962e+01 6.564386479e+01 1.62 1.086337599e+02 5.338132547e+01 9.331548987e+01 1.086759456e+02 1.087149849e+02 3.169264009e+01 5.885944727e+01 9.784371703e+01 3.184322315e+01 6.024499300e+01 1.64 1.018062077e+02 4.859571187e+01 8.686171296e+01 1.018708093e+02 1.019166907e+02 2.872746661e+01 5.374253570e+01 9.128428610e+01 2.864476327e+01 5.519671805e+01 1.66 9.521942724e+01 4.410297851e+01 8.065454079e+01 9.529251861e+01 9.534119924e+01 2.598156604e+01 4.896732912e+01 8.499671305e+01 2.569447224e+01 5.048571043e+01 1.68 8.889692986e+01 3.988871256e+01 7.471273057e+01 8.896092911e+01 8.900780187e+01 2.344310762e+01 4.452625883e+01 7.898464697e+01 2.297280672e+01 4.609479882e+01 1.70 8.284372476e+01 3.593942928e+01 6.905198362e+01 8.288536183e+01 8.292633047e+01 2.110079265e+01 4.040561075e+01 7.324552914e+01 2.046698785e+01 4.200552169e+01 1.72 7.705414966e+01 3.224416703e+01 6.368072109e+01 7.706732724e+01 7.709900653e+01 1.894346988e+01 3.658888062e+01 6.777278743e+01 1.816406159e+01 3.820066339e+01 1.74 7.151822976e+01 2.879548730e+01 5.859991701e+01 7.150477211e+01 7.152487432e+01 1.695979980e+01 3.306308267e+01 6.256025541e+01 1.605109701e+01 3.466281563e+01 1.76 6.622674467e+01 2.558947401e+01 5.380640896e+01 6.619443001e+01 6.620198511e+01 1.513928483e+01 2.980834040e+01 5.760359705e+01 1.411567494e+01 3.137248148e+01 1.78 6.117626846e+01 2.262256694e+01 4.929348195e+01 6.113431762e+01 6.112955525e+01 1.347141229e+01 2.680365411e+01 5.290171129e+01 1.234619309e+01 2.831333147e+01 1.80 5.637187996e+01 1.988902332e+01 4.504979027e+01 5.632765101e+01 5.631169902e+01 1.194406051e+01 2.402902963e+01 4.845752628e+01 1.073229193e+01 2.547853351e+01 1.82 5.181408917e+01 1.738177458e+01 4.106260584e+01 5.177344769e+01 5.174825580e+01 1.054487638e+01 2.146627155e+01 4.426987746e+01 9.263974794e+00 2.285453207e+01 1.84 4.750362189e+01 1.509212140e+01 3.732021788e+01 4.747041897e+01 4.743834251e+01 9.262049609e+00 1.909949664e+01 4.033628775e+01 7.931093699e+00 2.042759054e+01 1.86 4.344151778e+01 1.300889493e+01 3.381377615e+01 4.341670724e+01 4.338005602e+01 8.085007235e+00 1.691591536e+01 3.665223242e+01 6.723689562e+00 1.818507158e+01 1.88 3.962662867e+01 1.111910001e+01 3.053665571e+01 3.960915335e+01 3.957025577e+01 7.005100138e+00 1.490489200e+01 3.321063104e+01 5.632355263e+00 1.611526139e+01 1.90 3.605425303e+01 9.409245875e+00 2.748248620e+01 3.604246517e+01 3.600380691e+01 6.015134499e+00 1.305584998e+01 3.000265746e+01 4.648064179e+00 1.420730938e+01 1.92 3.271701837e+01 7.866184363e+00 2.464297964e+01 3.270876426e+01 3.267258118e+01 5.107863671e+00 1.135864252e+01 2.701730829e+01 3.761315116e+00 1.245148935e+01 1.94 2.960565979e+01 6.476695607e+00 2.200902722e+01 2.959840908e+01 2.956639601e+01 4.275741074e+00 9.803292992e+00 2.424192633e+01 2.962590554e+00 1.083929605e+01 1.96 2.670878268e+01 5.227514952e+00 1.957090226e+01 2.670016598e+01 2.667333971e+01 3.510092329e+00 8.379624264e+00 2.166328494e+01 2.243093263e+00 9.362339168e+00 1.98 2.401292655e+01 4.105841656e+00 1.731826369e+01 2.400147526e+01 2.398018349e+01 2.806697041e+00 7.077370760e+00 1.926970999e+01 1.595204510e+00 8.011506883e+00 2.00 2.150408231e+01 3.099572418e+00 1.523965474e+01 2.148952351e+01 2.147350531e+01 2.161506624e+00 5.886521202e+00 1.705033954e+01 1.010773359e+00 6.777751157e+00 2.02 1.916930284e+01 2.197412336e+00 1.332352505e+01 1.915232931e+01 1.914091651e+01 1.570770237e+00 4.799231877e+00 1.499531238e+01 4.797805677e-01 5.652639865e+00 2.04 1.699937397e+01 1.389151931e+00 1.155992002e+01 1.698096531e+01 1.697338328e+01 1.031734496e+00 3.809367830e+00 1.309626032e+01 -2.298940639e-03 4.629477155e+00 2.06 1.498574795e+01 6.676091999e-01 9.939345787e+00 1.496749721e+01 1.496325501e+01 5.418622125e-01 2.910081830e+00 1.134506330e+01 -4.375931969e-01 3.701124322e+00 2.08 1.312006886e+01 2.827389320e-02 8.452723845e+00 1.310438609e+01 1.310354587e+01 9.865615143e-02 2.095556850e+00 9.733864041e+00 -8.289927686e-01 2.860069149e+00 2.10 1.139470679e+01 -5.345829119e-01 7.091653309e+00 1.138406542e+01 1.138682015e+01 -3.002704192e-01 1.360455924e+00 8.255186295e+00 -1.179606089e+00 2.099264621e+00 2.12 9.802916065e+00 -1.026725876e+00 5.848562363e+00 9.799189188e+00 9.805607518e+00 -6.571269493e-01 6.994413255e-01 6.901922452e+00 -1.492311041e+00 1.412522742e+00 2.14 8.339094279e+00 -1.453831038e+00 4.716863823e+00 8.342920558e+00 8.352760384e+00 -9.738783497e-01 1.076479633e-01 5.667767055e+00 -1.769654567e+00 7.949216583e-01 2.16 6.997989778e+00 -1.823304363e+00 3.690044977e+00 7.008644278e+00 7.021319439e+00 -1.252770760e+00 -4.192620059e-01 4.546465750e+00 -2.013784078e+00 2.421314907e-01 2.18 5.773341990e+00 -2.144829599e+00 2.761415245e+00 5.789402702e+00 5.804192729e+00 -1.497024574e+00 -8.855101991e-01 3.531425400e+00 -2.226768444e+00 -2.508385429e-01 2.20 4.658785948e+00 -2.423733601e+00 1.926156056e+00 4.678473097e+00 4.694586364e+00 -1.710128668e+00 -1.297077556e+00 2.616137582e+00 -2.410525323e+00 -6.904592250e-01 2.22 3.648028887e+00 -2.665229327e+00 1.177178317e+00 3.669585287e+00 3.686195036e+00 -1.895483374e+00 -1.661437732e+00 1.794132616e+00 -2.566736318e+00 -1.084950651e+00 2.24 2.734883665e+00 -2.874532941e+00 5.076157627e-01 2.756843823e+00 2.773130417e+00 -2.056070499e+00 -1.981570406e+00 1.058937369e+00 -2.697157645e+00 -1.438069889e+00 2.26 1.913303904e+00 -3.054096398e+00 -8.864064908e-02 1.934223634e+00 1.949401350e+00 -2.194109015e+00 -2.260167277e+00 4.041145399e-01 -2.803835568e+00 -1.752864148e+00 2.28 1.177352361e+00 -3.206418107e+00 -6.167541525e-01 1.195770305e+00 1.209091422e+00 -2.310934046e+00 -2.500227038e+00 -1.767018785e-01 -2.888991800e+00 -2.031813728e+00 2.30 5.208505731e-01 -3.335098453e+00 -1.081937522e+00 5.354965281e-01 5.463663245e-01 -2.408206999e+00 -2.705009663e+00 -6.898828201e-01 -2.954994038e+00 -2.277400301e+00 2.32 -6.264934293e-02 -3.443405270e+00 -1.489340929e+00 -5.262404177e-02 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