# 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 = Ni3Pd # 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 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 3.326351106e+02 nan nan 1.02 3.059680157e+02 nan nan 1.04 2.829480703e+02 nan nan 1.06 2.631937523e+02 nan nan 1.08 2.462902860e+02 nan nan 1.10 2.315642940e+02 3.176823437e+02 3.586616826e+02 1.12 2.172330174e+02 2.949950173e+02 3.314570084e+02 1.14 2.029171915e+02 2.751070679e+02 3.074547797e+02 1.16 1.887964516e+02 2.577236857e+02 2.863251385e+02 1.18 1.750857849e+02 2.425681620e+02 2.677959907e+02 1.20 1.619304119e+02 2.290759870e+02 2.516309304e+02 1.22 1.494085577e+02 2.158342849e+02 2.375026620e+02 1.24 1.375512723e+02 2.025454648e+02 2.246832714e+02 1.26 1.263573050e+02 1.894726342e+02 2.119749577e+02 1.28 1.158279210e+02 1.767992578e+02 1.993061849e+02 1.30 1.059771830e+02 1.646338051e+02 1.868644422e+02 1.32 9.680242372e+01 1.529919927e+02 1.747802454e+02 1.34 8.828683005e+01 1.419145193e+02 1.631392005e+02 1.36 8.040346494e+01 1.314304340e+02 1.519909383e+02 1.38 7.311968646e+01 1.215435555e+02 1.413550693e+02 1.40 6.639828524e+01 1.122360218e+02 1.312275685e+02 1.42 6.019697263e+01 1.034827837e+02 1.215967630e+02 1.44 5.448221956e+01 9.527979864e+01 1.124826698e+02 1.46 4.922332708e+01 8.762078388e+01 1.038974137e+02 1.48 4.439133360e+01 8.048924688e+01 9.583774562e+01 1.50 3.995900773e+01 7.386081142e+01 8.829094037e+01 1.52 3.590177214e+01 6.770456335e+01 8.122383335e+01 1.54 3.219427235e+01 6.198696048e+01 7.462355895e+01 1.56 2.881102966e+01 5.667858996e+01 6.847580045e+01 1.58 2.572636383e+01 5.175125542e+01 6.276366821e+01 1.60 2.291557435e+01 4.718095393e+01 5.746715107e+01 1.62 2.035605792e+01 4.294640785e+01 5.256419529e+01 1.64 1.802749202e+01 3.902782313e+01 4.803098984e+01 1.66 1.591180103e+01 3.540627059e+01 4.384273771e+01 1.68 1.399233867e+01 3.206307629e+01 3.997407747e+01 1.70 1.225381772e+01 2.897941771e+01 3.639923691e+01 1.72 1.068127512e+01 2.613599573e+01 3.309302234e+01 1.74 9.237878933e+00 2.351322481e+01 3.003142526e+01 1.76 7.903591140e+00 2.109314639e+01 2.719232068e+01 1.78 6.669477747e+00 1.886020527e+01 2.455649552e+01 1.80 5.526904476e+00 1.679966363e+01 2.210825148e+01 1.82 4.470054277e+00 1.489844762e+01 1.983333463e+01 1.84 3.495282996e+00 1.313834734e+01 1.772233002e+01 1.86 2.599137889e+00 1.150482447e+01 1.576756712e+01 1.88 1.777388164e+00 9.991527183e+00 1.396143088e+01 1.90 1.021853384e+00 8.592638985e+00 1.229589749e+01 1.92 3.237811300e-01 7.302352588e+00 1.076267845e+01 1.94 -3.242381022e-01 6.115015106e+00 9.353295713e+00 1.96 -9.288541161e-01 5.025144703e+00 8.058939949e+00 1.98 -1.494801402e+00 4.027365079e+00 6.870432595e+00 2.00 -2.000686563e+00 3.115789772e+00 5.778839807e+00 2.02 -2.440277181e+00 2.283574585e+00 4.776500188e+00 2.04 -2.817948366e+00 1.525209375e+00 3.859011267e+00 2.06 -3.138005006e+00 8.359470079e-01 3.022861368e+00 2.08 -3.404760225e+00 2.102413360e-01 2.264507407e+00 2.10 -3.622630028e+00 -3.578846322e-01 1.580279249e+00 2.12 -3.798957368e+00 -8.736867478e-01 9.529130620e-01 2.14 -3.941208851e+00 -1.344579094e+00 3.643836851e-01 2.16 -4.053592102e+00 -1.774975317e+00 -1.899299256e-01 2.18 -4.139880834e+00 -2.169711903e+00 -7.140199574e-01 2.20 -4.203181301e+00 -2.524363911e+00 -1.211180658e+00 2.22 -4.246013352e+00 -2.833843427e+00 -1.679255715e+00 2.24 -4.270705729e+00 -3.102086405e+00 -2.099216982e+00 2.26 -4.281196322e+00 -3.332788705e+00 -2.471465414e+00 2.28 -4.280201841e+00 -3.529306653e+00 -2.798993166e+00 2.30 -4.269402105e+00 -3.694920795e+00 -3.084855233e+00 2.32 -4.250357007e+00 -3.832812152e+00 -3.332216378e+00 2.34 -4.224418487e+00 -3.945971741e+00 -3.544376481e+00 2.36 -4.192648738e+00 -4.037227060e+00 -3.724644842e+00 2.38 -4.155741268e+00 -4.109292241e+00 -3.876219461e+00 2.40 -4.114098850e+00 -4.164723707e+00 -4.002081275e+00 2.42 -4.068207088e+00 -4.205819994e+00 -4.104866186e+00 2.44 -4.018560321e+00 -4.234488899e+00 -4.186846352e+00 2.46 -3.965630001e+00 -4.252268669e+00 -4.250243421e+00 2.48 -3.909859781e+00 -4.260401420e+00 -4.297000081e+00 2.50 -3.851658331e+00 -4.259858165e+00 -4.328836213e+00 2.52 -3.791397504e+00 -4.252250188e+00 -4.348460846e+00 2.54 -3.729418024e+00 -4.238953391e+00 -4.358407521e+00 2.56 -3.666038490e+00 -4.220296800e+00 -4.359837267e+00 2.58 -3.601565997e+00 -4.196579795e+00 -4.353768836e+00 2.60 -3.536306587e+00 -4.168077351e+00 -4.341087279e+00 2.62 -3.470564983e+00 -4.135000388e+00 -4.322533613e+00 2.64 -3.404633854e+00 -4.097501033e+00 -4.298722005e+00 2.66 -3.338789862e+00 -4.055747832e+00 -4.270187199e+00 2.68 -3.273274262e+00 -4.009975737e+00 -4.237352705e+00 2.70 -3.208252743e+00 -3.960501672e+00 -4.200533574e+00 2.72 -3.143779312e+00 -3.907732740e+00 -4.159991304e+00 2.74 -3.079840327e+00 -3.852121274e+00 -4.115998499e+00 2.76 -3.016401592e+00 -3.794111369e+00 -4.068845548e+00 2.78 -2.953400009e+00 -3.734125324e+00 -4.018835419e+00 2.80 -2.890709556e+00 -3.672586661e+00 -3.966273736e+00 2.82 -2.828195607e+00 -3.609936258e+00 -3.911453189e+00 2.84 -2.765822064e+00 -3.546596695e+00 -3.854631804e+00 2.86 -2.703564956e+00 -3.482955824e+00 -3.796005874e+00 2.88 -2.641406585e+00 -3.419350926e+00 -3.735708614e+00 2.90 -2.579338140e+00 -3.356052537e+00 -3.673941984e+00 2.92 -2.517356563e+00 -3.293249196e+00 -3.610940269e+00 2.94 -2.455469755e+00 -3.231048165e+00 -3.546931826e+00 2.96 -2.393704933e+00 -3.169479172e+00 -3.482141848e+00 2.98 -2.332115499e+00 -3.108517648e+00 -3.416797098e+00 3.00 -2.270784334e+00 -3.048120644e+00 -3.351130373e+00 3.02 -2.209825381e+00 -2.988234776e+00 -3.285358271e+00 3.04 -2.149383325e+00 -2.928800722e+00 -3.219636617e+00 3.06 -2.089629709e+00 -2.869757127e+00 -3.154065111e+00 3.08 -2.030754362e+00 -2.811043193e+00 -3.088731837e+00 3.10 -1.972953697e+00 -2.752602042e+00 -3.023722224e+00 3.12 -1.916417174e+00 -2.694385717e+00 -2.959114703e+00 3.14 -1.861313284e+00 -2.636361688e+00 -2.894976416e+00 3.16 -1.807775281e+00 -2.578520709e+00 -2.831359050e+00 3.18 -1.755890287e+00 -2.520884505e+00 -2.768294369e+00 3.20 -1.705693551e+00 -2.463497957e+00 -2.705789324e+00 3.22 -1.657175019e+00 -2.406416754e+00 -2.643837568e+00 3.24 -1.610314706e+00 -2.349736069e+00 -2.582481354e+00 3.26 -1.565071614e+00 -2.293566924e+00 -2.521783237e+00 3.28 -1.521380957e+00 -2.238019116e+00 -2.461809324e+00 3.30 -1.479161319e+00 -2.183189685e+00 -2.402624973e+00 3.32 -1.438323491e+00 -2.129149730e+00 -2.344292763e+00 3.34 -1.398777742e+00 -2.075929856e+00 -2.286872478e+00 3.36 -1.360440710e+00 -2.023525136e+00 -2.230421028e+00 3.38 -1.323241403e+00 -1.971998940e+00 -2.174992332e+00 3.40 -1.287122964e+00 -1.921446944e+00 -2.120637218e+00 3.42 -1.252041927e+00 -1.871960499e+00 -2.067403605e+00 3.44 -1.217966781e+00 -1.823621843e+00 -2.015336996e+00 3.46 -1.184875366e+00 -1.776499826e+00 -1.964481510e+00 3.48 -1.152751744e+00 -1.730646172e+00 -1.914881764e+00 3.50 -1.121582807e+00 -1.686092923e+00 -1.866585752e+00 3.52 -1.091353889e+00 -1.642852111e+00 -1.819646263e+00 3.54 -1.062041872e+00 -1.600916943e+00 -1.774116568e+00 3.56 -1.033608828e+00 -1.560263928e+00 -1.730044406e+00 3.58 -1.006034923e+00 -1.520857126e+00 -1.687466245e+00 3.60 -9.793322612e-01 -1.482651936e+00 -1.646401887e+00 3.62 -9.535126858e-01 -1.445597271e+00 -1.606849521e+00 3.64 -9.285827594e-01 -1.409637632e+00 -1.568781040e+00 3.66 -9.045402233e-01 -1.374715518e+00 -1.532137543e+00 3.68 -8.813703535e-01 -1.340774152e+00 -1.496824257e+00 3.70 -8.590424565e-01 -1.307760396e+00 -1.462703124e+00 3.72 -8.375219911e-01 -1.275627666e+00 -1.429632168e+00 3.74 -8.167914483e-01 -1.244337045e+00 -1.397531028e+00 3.76 -7.968305990e-01 -1.213856041e+00 -1.366329508e+00 3.78 -7.776131422e-01 -1.184156859e+00 -1.335960884e+00 3.80 -7.591069677e-01 -1.155214634e+00 -1.306363142e+00 3.82 -7.412747242e-01 -1.127005678e+00 -1.277479922e+00 3.84 -7.240743960e-01 -1.099505514e+00 -1.249261235e+00 3.86 -7.074599548e-01 -1.072686497e+00 -1.221663515e+00 3.88 -6.913821060e-01 -1.046515231e+00 -1.194649357e+00 3.90 -6.757889934e-01 -1.020949933e+00 -1.168187148e+00 3.92 -6.606271040e-01 -9.959377979e-01 -1.142250570e+00 3.94 -6.458420972e-01 -9.714239466e-01 -1.116818058e+00 3.96 -6.313797961e-01 -9.473866481e-01 -1.091872139e+00 3.98 -6.171870904e-01 -9.238170279e-01 -1.067398725e+00 4.00 -6.032130675e-01 -9.007109614e-01 -1.043386306e+00 4.02 -5.894099845e-01 -8.780683903e-01 -1.019825135e+00 4.04 -5.757345856e-01 -8.558926468e-01 -9.967064704e-01 4.06 -5.621493038e-01 -8.341896858e-01 -9.740223217e-01 4.08 -5.486237285e-01 -8.129673870e-01 -9.517653070e-01 4.10 -5.351357224e-01 -7.922348201e-01 -9.299284608e-01 4.12 -5.216717973e-01 -7.720014775e-01 -9.085050791e-01 4.14 -5.082268947e-01 -7.522765765e-01 -8.874884325e-01 4.16 -4.948042301e-01 -7.330681987e-01 -8.668714900e-01 4.18 -4.814153119e-01 -7.143826267e-01 -8.466466511e-01 4.20 -4.680797814e-01 -6.962234507e-01 -8.268053793e-01 4.22 -4.548257002e-01 -6.785911336e-01 -8.073382772e-01 4.24 -4.416892156e-01 -6.614825736e-01 -7.882355845e-01 4.26 -4.287116624e-01 -6.448909164e-01 -7.694877432e-01 4.28 -4.159366109e-01 -6.288050601e-01 -7.510860186e-01 4.30 -4.034080058e-01 -6.132095307e-01 -7.330229110e-01 4.32 -3.911702070e-01 -5.980850247e-01 -7.152920585e-01 4.34 -3.792666886e-01 -5.834088339e-01 -6.978878222e-01 4.36 -3.677390654e-01 -5.691555071e-01 -6.808047986e-01 4.38 -3.566262175e-01 -5.552976107e-01 -6.640374803e-01 4.40 -3.459616672e-01 -5.418062868e-01 -6.475797769e-01 4.42 -3.357719136e-01 -5.286520217e-01 -6.314247118e-01 4.44 -3.260757344e-01 -5.158054570e-01 -6.155640426e-01 4.46 -3.168826890e-01 -5.032385478e-01 -5.999879656e-01 4.48 -3.081960308e-01 -4.909254545e-01 -5.846847788e-01 4.50 -3.000087651e-01 -4.788434509e-01 -5.696405646e-01 4.52 -2.923070941e-01 -4.669714554e-01 -5.548390486e-01 4.54 -2.850715596e-01 -4.552902578e-01 -5.402624972e-01 4.56 -2.782754538e-01 -4.437827263e-01 -5.259036958e-01 4.58 -2.718837618e-01 -4.324358840e-01 -5.117644306e-01 4.60 -2.658591245e-01 -4.212407896e-01 -4.978501721e-01 4.62 -2.601617899e-01 -4.101926552e-01 -4.841692711e-01 4.64 -2.547506858e-01 -3.992921441e-01 -4.707328068e-01 4.66 -2.495822798e-01 -3.885436772e-01 -4.575539382e-01 4.68 -2.446082747e-01 -3.779537956e-01 -4.446477241e-01 4.70 -2.397880886e-01 -3.675334049e-01 -4.320307636e-01 4.72 -2.350837253e-01 -3.572964562e-01 -4.197210009e-01 4.74 -2.304610535e-01 -3.472548545e-01 -4.077370409e-01 4.76 -2.258917702e-01 -3.374311390e-01 -3.960979271e-01 4.78 -2.213542824e-01 -3.278514535e-01 -3.848229401e-01 4.80 -2.168356325e-01 -3.185446436e-01 -3.739310538e-01 4.82 -2.123235230e-01 -3.095265598e-01 -3.634409802e-01 4.84 -2.077970824e-01 -3.007989257e-01 -3.533699796e-01 4.86 -2.032398538e-01 -2.923703538e-01 -3.437346323e-01 4.88 -1.986402939e-01 -2.842552477e-01 -3.345480122e-01 4.90 -1.939920547e-01 -2.764843072e-01 -3.258207743e-01 4.92 -1.892944128e-01 -2.690893791e-01 -3.175597162e-01 4.94 -1.845576272e-01 -2.620929325e-01 -3.097657492e-01 4.96 -1.798145753e-01 -2.555093230e-01 -3.024355037e-01 4.98 -1.751005326e-01 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