# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Smirnova-D-E-Kuksin-A-Y-Starikov-S-V-et-al--U-Mo-Xe # implementation = EAM_Dynamo_SmirnovaKuskinStarikov_2013_UMoXe__MO_679329885632_005 # composition = Mo3U # 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 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 nan nan nan 1.32 nan nan nan 1.34 nan nan nan 1.36 nan nan nan 1.38 nan nan nan 1.40 nan nan nan 1.42 nan nan nan 1.44 nan nan nan 1.46 nan nan nan 1.48 nan nan nan 1.50 nan nan nan 1.52 nan nan nan 1.54 nan nan nan 1.56 nan nan nan 1.58 nan nan nan 1.60 nan nan nan 1.62 nan nan nan 1.64 nan nan nan 1.66 nan nan nan 1.68 nan nan nan 1.70 nan nan nan 1.72 nan nan nan 1.74 nan nan nan 1.76 nan nan nan 1.78 nan nan nan 1.80 nan nan nan 1.82 nan nan nan 1.84 nan nan nan 1.86 nan nan nan 1.88 nan nan nan 1.90 nan nan nan 1.92 1.134845156e+02 nan nan 1.94 9.032134559e+01 nan nan 1.96 6.719703289e+01 nan nan 1.98 4.161433274e+01 nan nan 2.00 2.546391060e+01 nan nan 2.02 1.431961714e+01 nan nan 2.04 7.226565799e+00 nan nan 2.06 3.210770171e+00 nan nan 2.08 1.284541543e+00 nan nan 2.10 4.878604951e-01 1.095505635e+02 nan 2.12 -3.302573453e-02 9.523636854e+01 nan 2.14 -5.008583485e-01 8.087154622e+01 1.209290165e+02 2.16 -9.143677803e-01 6.662212321e+01 1.003881601e+02 2.18 -1.292999756e+00 5.250037644e+01 7.985352771e+01 2.20 -1.696425644e+00 3.866420897e+01 5.972706562e+01 2.22 -2.119494386e+00 2.358839811e+01 3.769472174e+01 2.24 -2.573394698e+00 1.451039784e+01 2.451296560e+01 2.26 -3.046390320e+00 8.090154085e+00 1.512753992e+01 2.28 -3.508675410e+00 3.838320498e+00 8.811630852e+00 2.30 -3.921344647e+00 1.270841905e+00 4.901167702e+00 2.32 -4.280886586e+00 -9.973202550e-02 2.742393013e+00 2.34 -4.610133969e+00 -7.586617184e-01 1.667540483e+00 2.36 -4.907180113e+00 -1.164284376e+00 9.941743146e-01 2.38 -5.166540538e+00 -1.558485594e+00 3.398102446e-01 2.40 -5.384383548e+00 -1.947230261e+00 -3.054389659e-01 2.42 -5.560042716e+00 -2.324193424e+00 -9.304501730e-01 2.44 -5.693830544e+00 -2.711936807e+00 -1.527314358e+00 2.46 -5.788481464e+00 -3.084679580e+00 -2.112003919e+00 2.48 -5.848472568e+00 -3.440489117e+00 -2.631202947e+00 2.50 -5.878150250e+00 -3.787298356e+00 -3.081990664e+00 2.52 -5.881927322e+00 -4.120070891e+00 -3.467431962e+00 2.54 -5.865041922e+00 -4.431944248e+00 -3.793253694e+00 2.56 -5.836025779e+00 -4.717896957e+00 -4.063268445e+00 2.58 -5.803680673e+00 -4.975103780e+00 -4.282740334e+00 2.60 -5.776349644e+00 -5.202825251e+00 -4.459935090e+00 2.62 -5.759469552e+00 -5.401246130e+00 -4.607354148e+00 2.64 -5.750001893e+00 -5.571143525e+00 -4.737241815e+00 2.66 -5.737028292e+00 -5.714545730e+00 -4.860927497e+00 2.68 -5.710481757e+00 -5.833677347e+00 -4.988791030e+00 2.70 -5.663665854e+00 -5.930153913e+00 -5.125205914e+00 2.72 -5.597528539e+00 -6.005345736e+00 -5.264098058e+00 2.74 -5.523151012e+00 -6.061023115e+00 -5.396843265e+00 2.76 -5.442912803e+00 -6.098469307e+00 -5.513597002e+00 2.78 -5.358006805e+00 -6.118907851e+00 -5.607040081e+00 2.80 -5.269772267e+00 -6.123728718e+00 -5.683061150e+00 2.82 -5.179144575e+00 -6.113941964e+00 -5.743722622e+00 2.84 -5.085965238e+00 -6.090185286e+00 -5.790385042e+00 2.86 -4.989446363e+00 -6.053301777e+00 -5.825369589e+00 2.88 -4.888478642e+00 -6.003912782e+00 -5.850934747e+00 2.90 -4.782804509e+00 -5.942778638e+00 -5.868937533e+00 2.92 -4.671610028e+00 -5.871433979e+00 -5.880316575e+00 2.94 -4.553688005e+00 -5.792605649e+00 -5.885301436e+00 2.96 -4.427776260e+00 -5.709311348e+00 -5.883559114e+00 2.98 -4.292680114e+00 -5.624375639e+00 -5.874897136e+00 3.00 -4.148323302e+00 -5.539844924e+00 -5.859546496e+00 3.02 -3.995695422e+00 -5.456612698e+00 -5.837690960e+00 3.04 -3.836300235e+00 -5.374143350e+00 -5.809422625e+00 3.06 -3.671930700e+00 -5.291391453e+00 -5.774434002e+00 3.08 -3.505034400e+00 -5.207699896e+00 -5.732026878e+00 3.10 -3.338903258e+00 -5.122937692e+00 -5.681151158e+00 3.12 -3.176538551e+00 -5.039312626e+00 -5.621345903e+00 3.14 -3.020348032e+00 -4.958239508e+00 -5.552470940e+00 3.16 -2.872588303e+00 -4.877291122e+00 -5.474193078e+00 3.18 -2.736004567e+00 -4.793131543e+00 -5.386296897e+00 3.20 -2.613455780e+00 -4.702680350e+00 -5.288902397e+00 3.22 -2.506730967e+00 -4.603253909e+00 -5.182663396e+00 3.24 -2.414269709e+00 -4.493059938e+00 -5.069088626e+00 3.26 -2.333514207e+00 -4.377216491e+00 -4.950136248e+00 3.28 -2.261277848e+00 -4.258676833e+00 -4.827743489e+00 3.30 -2.193872837e+00 -4.137920037e+00 -4.703794053e+00 3.32 -2.128325181e+00 -4.015878907e+00 -4.580073590e+00 3.34 -2.069771535e+00 -3.893540818e+00 -4.458218289e+00 3.36 -2.019900449e+00 -3.771619396e+00 -4.339069601e+00 3.38 -1.978506493e+00 -3.650520625e+00 -4.222509470e+00 3.40 -1.945497594e+00 -3.530654095e+00 -4.108311117e+00 3.42 -1.920875404e+00 -3.412462645e+00 -3.996237073e+00 3.44 -1.904531396e+00 -3.296445620e+00 -3.885897056e+00 3.46 -1.894459962e+00 -3.182947568e+00 -3.776391179e+00 3.48 -1.887364761e+00 -3.072253849e+00 -3.666575262e+00 3.50 -1.881574914e+00 -2.964575584e+00 -3.555269201e+00 3.52 -1.875645060e+00 -2.859970210e+00 -3.441215737e+00 3.54 -1.868281420e+00 -2.758520765e+00 -3.323631406e+00 3.56 -1.858419204e+00 -2.659934941e+00 -3.202243149e+00 3.58 -1.845112814e+00 -2.562924430e+00 -3.077253785e+00 3.60 -1.824339465e+00 -2.466431008e+00 -2.953299149e+00 3.62 -1.791732248e+00 -2.369954832e+00 -2.833694110e+00 3.64 -1.744222539e+00 -2.273601192e+00 -2.719217215e+00 3.66 -1.686957966e+00 -2.177718302e+00 -2.610306560e+00 3.68 -1.617394072e+00 -2.082793483e+00 -2.507058564e+00 3.70 -1.532940616e+00 -1.990265160e+00 -2.409444959e+00 3.72 -1.436014093e+00 -1.901697307e+00 -2.317340866e+00 3.74 -1.329225516e+00 -1.817697677e+00 -2.230555989e+00 3.76 -1.215413858e+00 -1.738613546e+00 -2.148849646e+00 3.78 -1.097645609e+00 -1.664857005e+00 -2.071946134e+00 3.80 -9.791995692e-01 -1.596942247e+00 -1.999701625e+00 3.82 -8.635284544e-01 -1.535925284e+00 -1.932368470e+00 3.84 -7.539083471e-01 -1.481939239e+00 -1.870259112e+00 3.86 -6.518168191e-01 -1.434695814e+00 -1.819944086e+00 3.88 -5.577334364e-01 -1.393379176e+00 -1.787358615e+00 3.90 -4.720346926e-01 -1.356846674e+00 -1.757308670e+00 3.92 -3.950413054e-01 -1.323795759e+00 -1.728487155e+00 3.94 -3.537476889e-01 -1.292824722e+00 -1.699582780e+00 3.96 -3.495726192e-01 -1.262518813e+00 -1.669372775e+00 3.98 -3.435627818e-01 -1.231449334e+00 -1.636691973e+00 4.00 -3.360988808e-01 -1.198168041e+00 -1.600344845e+00 4.02 -3.275603393e-01 -1.161197442e+00 -1.559091697e+00 4.04 -3.182631765e-01 -1.119014553e+00 -1.511635583e+00 4.06 -3.084347357e-01 -1.077427953e+00 -1.456611370e+00 4.08 -2.982910908e-01 -1.029085547e+00 -1.393075402e+00 4.10 -2.880305502e-01 -9.720587010e-01 -1.321963246e+00 4.12 -2.778470341e-01 -9.077265908e-01 -1.244693117e+00 4.14 -2.679345573e-01 -8.580012832e-01 -1.162780526e+00 4.16 -2.584871103e-01 -8.073682289e-01 -1.077855646e+00 4.18 -2.496986673e-01 -7.546750801e-01 -9.916654660e-01 4.20 -2.417793158e-01 -7.008352432e-01 -9.060654091e-01 4.22 -2.350820095e-01 -6.468270408e-01 -8.230029693e-01 4.24 -2.296674510e-01 -5.936837940e-01 -7.444779590e-01 4.26 -2.253985877e-01 -5.424841594e-01 -6.720930900e-01 4.28 -2.221375508e-01 -4.944102127e-01 -6.069903352e-01 4.30 -2.197649228e-01 -4.503755691e-01 -5.495247529e-01 4.32 -2.181902527e-01 -4.105851333e-01 -4.988343531e-01 4.34 -2.173256052e-01 -3.751552916e-01 -4.539040026e-01 4.36 -2.170830203e-01 -3.797071327e-01 -4.136775553e-01 4.38 -2.173433748e-01 -3.823920271e-01 -3.770727194e-01 4.40 -2.178353254e-01 -3.827026093e-01 -3.682917083e-01 4.42 -2.183355645e-01 -3.808289342e-01 -3.629072963e-01 4.44 -2.188172817e-01 -3.769610996e-01 -3.552934675e-01 4.46 -2.192780344e-01 -3.713104754e-01 -3.458188340e-01 4.48 -2.197153368e-01 -3.641861253e-01 -3.348520128e-01 4.50 -2.201261852e-01 -3.559230126e-01 -3.227586541e-01 4.52 -2.205000116e-01 -3.468322722e-01 -3.098686553e-01 4.54 -2.208213342e-01 -3.372089354e-01 -2.964876977e-01 4.56 -2.211030697e-01 -3.273477270e-01 -2.829210590e-01 4.58 -2.214200353e-01 -3.175433327e-01 -2.694739557e-01 4.60 -2.218552415e-01 -3.080904982e-01 -2.564516560e-01 4.62 -2.224933663e-01 -2.992839273e-01 -2.441593818e-01 4.64 -2.234203794e-01 -3.044115326e-01 -2.348921908e-01 4.66 -2.247221124e-01 -3.068960356e-01 -2.271850338e-01 4.68 -2.264844193e-01 -3.058460004e-01 -2.156791113e-01 4.70 -2.287931788e-01 -3.005510600e-01 -2.083955400e-01 4.72 -2.317285913e-01 -2.904870070e-01 -2.042528531e-01 4.74 -2.352614590e-01 -2.759666033e-01 -2.021638864e-01 4.76 -2.392548972e-01 -2.689775274e-01 -2.019092976e-01 4.78 -2.435671072e-01 -2.686638981e-01 -2.032697963e-01 4.80 -2.480132873e-01 -2.687290051e-01 -2.060259947e-01 4.82 -2.522873600e-01 -2.689207553e-01 -2.099585493e-01 4.84 -2.560621578e-01 -2.690387735e-01 -2.148481648e-01 4.86 -2.596696524e-01 -2.689410256e-01 -2.204754488e-01 4.88 -2.622632348e-01 -2.684886643e-01 -2.266210607e-01 4.90 -2.628799011e-01 -2.675428464e-01 -2.330656687e-01 4.92 -2.615500841e-01 -2.659650924e-01 -2.395904995e-01 4.94 -2.584346723e-01 -2.636501894e-01 -2.460266515e-01 4.96 -2.538783115e-01 -2.605513220e-01 -2.522928820e-01 4.98 -2.490434657e-01 -2.566276993e-01 -2.583169465e-01 5.00 -2.432517167e-01 -2.518388697e-01 -2.640265236e-01 5.02 -2.367386021e-01 -2.462177502e-01 -2.693493458e-01 5.04 -2.297414739e-01 -2.399598253e-01 -2.742131115e-01 5.06 -2.224960166e-01 -2.332823907e-01 -2.785455255e-01 5.08 -2.142906902e-01 -2.264027568e-01 -2.822743717e-01 5.10 -2.043674974e-01 -2.195382059e-01 -2.853272770e-01 5.12 -1.926765562e-01 -2.129060213e-01 -2.876320050e-01 5.14 -1.791697504e-01 -2.067281969e-01 -2.891232737e-01 5.16 -1.638243842e-01 -2.012955082e-01 -2.898390237e-01 5.18 -1.467463926e-01 -1.969511965e-01 -2.898958397e-01 5.20 -1.284648341e-01 -1.939568321e-01 -2.894121431e-01 5.22 -1.096113355e-01 -1.921920060e-01 -2.885064359e-01 5.24 -9.081755544e-02 -1.914257619e-01 -2.872972791e-01 5.26 -7.271506627e-02 -1.914271217e-01 -2.859031216e-01 5.28 -5.593550219e-02 -1.919651112e-01 -2.844424625e-01 5.30 -4.111047923e-02 -1.928087936e-01 -2.830338197e-01 5.32 -2.887159931e-02 -1.937271855e-01 -2.817956479e-01 5.34 -4.332335191e-02 -1.944893517e-01 -2.808464830e-01 5.36 -5.479171059e-02 -1.948418630e-01 -2.802710209e-01 5.38 -6.192927222e-02 -1.946959184e-01 -2.799831725e-01 5.40 -6.540157099e-02 -1.946025301e-01 -2.798430902e-01 5.42 -6.590084889e-02 -1.945144237e-01 -2.797109306e-01 5.44 -6.411395126e-02 -1.959665738e-01 -2.803895205e-01 5.46 -6.072810970e-02 -1.966471256e-01 -2.804545556e-01 5.48 -5.643401754e-02 -1.963320451e-01 -2.796903020e-01 5.50 -5.192487138e-02 -1.949839249e-01 -2.779892266e-01 5.52 -4.789319447e-02 -1.925654233e-01 -2.752438342e-01 5.54 -4.503530730e-02 -1.890393355e-01 -2.713468124e-01 5.56 -4.392132011e-02 -1.862130531e-01 -2.672588746e-01 5.58 -4.291688137e-02 -1.828417885e-01 -2.622019778e-01 5.60 -4.193633627e-02 -1.787602018e-01 -2.560795978e-01 5.62 -4.098712004e-02 -1.739746563e-01 -2.489012795e-01 5.64 -4.007666484e-02 -1.684915458e-01 -2.406766138e-01 5.66 -3.921240194e-02 -1.623172685e-01 -2.314151978e-01 5.68 -3.840176409e-02 -1.554582124e-01 -2.211266136e-01 5.70 -3.765218387e-02 -1.479207516e-01 -2.098204224e-01 5.72 -3.697109401e-02 -1.397112620e-01 -1.975061880e-01 5.74 -3.636591913e-02 -1.308361313e-01 -1.841934920e-01 5.76 -3.584409925e-02 -1.213017796e-01 -1.698919643e-01 5.78 -3.541220007e-02 -1.111210410e-01 -1.546208565e-01 5.80 -3.506152142e-02 -1.004219389e-01 -1.385722033e-01 5.82 -3.477027740e-02 -8.943120179e-02 -1.220860977e-01 5.84 -3.451624128e-02 -7.837874565e-02 -1.055074135e-01 5.86 -3.427719477e-02 -6.749445761e-02 -8.918098142e-02 5.88 -3.403091878e-02 -5.700826930e-02 -7.345169895e-02 5.90 -3.375520860e-02 -4.715013047e-02 -5.866449071e-02 5.92 -3.342783184e-02 -3.814991963e-02 -4.516417445e-02 5.94 -3.302656898e-02 -3.023754967e-02 -3.329561951e-02 5.96 -3.252921282e-02 -2.364296778e-02 -2.340374667e-02 5.98 -3.191353702e-02 -1.859608588e-02 -1.583342383e-02 6.00 -3.116422011e-02 -2.333201481e-02 -1.084540659e-02