# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Smirnova-D-E-Starikov-S-V-Stegailov-V-V--U # implementation = 2012--Smirnova-D-E--U--LAMMPS--ipr1 # composition = U # 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 8.501532920e+02 nan 0.78 nan nan nan nan nan nan nan nan 7.811018795e+02 nan 0.80 nan nan nan nan nan nan nan nan 7.176912048e+02 nan 0.82 nan nan nan nan nan 5.706402048e+02 nan nan 6.608919935e+02 nan 0.84 nan nan nan nan nan 5.302193492e+02 nan nan 6.097049003e+02 nan 0.86 nan nan nan nan nan 4.930816495e+02 nan nan 5.646025670e+02 nan 0.88 nan nan nan nan nan 4.602439822e+02 nan nan 5.241179361e+02 nan 0.90 nan nan nan nan nan 4.302727720e+02 nan nan 4.867393201e+02 nan 0.92 nan nan nan 9.051326493e+02 9.044251253e+02 4.028714863e+02 nan nan 4.534186153e+02 6.188030408e+02 0.94 nan 5.873497859e+02 nan 8.473655634e+02 8.473858656e+02 3.775747560e+02 5.892073364e+02 nan 4.238157162e+02 5.761635498e+02 0.96 nan 5.486660696e+02 nan 7.949598557e+02 7.957224517e+02 3.531708400e+02 5.475550932e+02 nan 3.971643229e+02 5.377564506e+02 0.98 nan 5.129013548e+02 nan 7.457834798e+02 7.473633565e+02 3.300677070e+02 5.096907172e+02 nan 3.730194748e+02 5.029088729e+02 1.00 nan 4.800165428e+02 nan 7.001557450e+02 7.019889502e+02 3.085980045e+02 4.757790703e+02 nan 3.510673692e+02 4.721893761e+02 1.02 nan 4.493817530e+02 nan 6.572632623e+02 6.585996582e+02 2.870746176e+02 4.451733221e+02 nan 3.307698573e+02 4.443663962e+02 1.04 nan 4.206620479e+02 5.626054404e+02 6.177576742e+02 6.187848200e+02 2.670120260e+02 4.183224201e+02 5.787009981e+02 3.118788041e+02 4.185473309e+02 1.06 5.801206657e+02 3.926680501e+02 5.246443648e+02 5.809354784e+02 5.816927007e+02 2.479192039e+02 3.941265991e+02 5.437339117e+02 2.938591139e+02 3.948933354e+02 1.08 5.456034679e+02 3.672003345e+02 4.898419599e+02 5.460916635e+02 5.463309455e+02 2.301278486e+02 3.719744732e+02 5.110671056e+02 2.766359777e+02 3.737647405e+02 1.10 5.133111812e+02 3.433560158e+02 4.585826439e+02 5.131424023e+02 5.126857188e+02 2.137569174e+02 3.520904078e+02 4.798552652e+02 2.600588317e+02 3.541597507e+02 1.12 4.833750538e+02 3.218540547e+02 4.310216629e+02 4.823698669e+02 4.814087761e+02 1.989246314e+02 3.340598916e+02 4.500072228e+02 2.445016777e+02 3.352196662e+02 1.14 4.535552548e+02 3.021993966e+02 4.060384264e+02 4.521941142e+02 4.511622760e+02 1.853615712e+02 3.172327447e+02 4.230380532e+02 2.297177014e+02 3.168674448e+02 1.16 4.268372089e+02 2.844962780e+02 3.831868513e+02 4.252843187e+02 4.241362652e+02 1.726373470e+02 3.013385952e+02 3.976984708e+02 2.157137463e+02 3.001390759e+02 1.18 4.016022237e+02 2.687580578e+02 3.624035680e+02 4.000616501e+02 3.990447351e+02 1.607597425e+02 2.864887082e+02 3.739382843e+02 2.023973333e+02 2.839490410e+02 1.20 3.777037735e+02 2.545616146e+02 3.421167047e+02 3.767116464e+02 3.759390738e+02 1.487124089e+02 2.722735754e+02 3.519076781e+02 1.893325421e+02 2.683292066e+02 1.22 3.555685892e+02 2.417720386e+02 3.238797601e+02 3.555228251e+02 3.551302469e+02 1.379650459e+02 2.587947060e+02 3.320638286e+02 1.774196258e+02 2.533565044e+02 1.24 3.357836796e+02 2.300016383e+02 3.067942726e+02 3.362933688e+02 3.362262456e+02 1.277068941e+02 2.455190253e+02 3.144608978e+02 1.660768819e+02 2.392491328e+02 1.26 3.180373062e+02 2.192386143e+02 2.905294456e+02 3.187845380e+02 3.190433719e+02 1.181038515e+02 2.325078232e+02 2.985834129e+02 1.553349846e+02 2.261978221e+02 1.28 3.021580598e+02 2.093536393e+02 2.751875874e+02 3.028777108e+02 3.033679740e+02 1.092190997e+02 2.200453899e+02 2.840215988e+02 1.452298908e+02 2.140598937e+02 1.30 2.877367151e+02 2.000097193e+02 2.614526815e+02 2.883253003e+02 2.888524990e+02 1.013234037e+02 2.081634319e+02 2.706691288e+02 1.357674664e+02 2.025886755e+02 1.32 2.744146166e+02 1.912277713e+02 2.495315448e+02 2.748247652e+02 2.752816618e+02 9.468693801e+01 1.968985726e+02 2.582014655e+02 1.265467735e+02 1.915444331e+02 1.34 2.621972512e+02 1.829762213e+02 2.389267471e+02 2.622995086e+02 2.626421176e+02 8.918532068e+01 1.855292909e+02 2.467023499e+02 1.183639519e+02 1.809815702e+02 1.36 2.507563756e+02 1.749635242e+02 2.289220406e+02 2.505833172e+02 2.508143415e+02 8.441961259e+01 1.750624761e+02 2.358175436e+02 1.107112362e+02 1.707857887e+02 1.38 2.395077400e+02 1.671861361e+02 2.194700304e+02 2.392765612e+02 2.394025683e+02 8.011643447e+01 1.649799739e+02 2.252234666e+02 1.035385653e+02 1.604672038e+02 1.40 2.288079220e+02 1.598113349e+02 2.105300497e+02 2.285980220e+02 2.285891569e+02 7.602915892e+01 1.554501943e+02 2.152175737e+02 9.696572376e+01 1.505877203e+02 1.42 2.188620285e+02 1.527271577e+02 2.022485518e+02 2.186456261e+02 2.184967593e+02 7.232186842e+01 1.465262422e+02 2.058466080e+02 9.099721670e+01 1.414917556e+02 1.44 2.093424266e+02 1.457321179e+02 1.942720401e+02 2.091425242e+02 2.089113972e+02 6.888275548e+01 1.382305739e+02 1.968787843e+02 8.557345632e+01 1.327871387e+02 1.46 2.001328515e+02 1.388449744e+02 1.862748209e+02 2.000823421e+02 1.998663008e+02 6.553863555e+01 1.305663238e+02 1.883019743e+02 8.063281402e+01 1.243780123e+02 1.48 1.914600299e+02 1.322435319e+02 1.784263190e+02 1.915407067e+02 1.914021051e+02 6.230655255e+01 1.233693239e+02 1.801370275e+02 7.610242254e+01 1.164622832e+02 1.50 1.834321106e+02 1.257864970e+02 1.708030325e+02 1.835181412e+02 1.834489237e+02 5.917558132e+01 1.165112549e+02 1.724444945e+02 7.180519820e+01 1.091666382e+02 1.52 1.759236222e+02 1.192192862e+02 1.634753555e+02 1.759544789e+02 1.759125855e+02 5.615609623e+01 1.100076437e+02 1.651333582e+02 6.769449109e+01 1.025934439e+02 1.54 1.686695100e+02 1.124535482e+02 1.564729991e+02 1.687203727e+02 1.687172979e+02 5.330372564e+01 1.039166097e+02 1.580490897e+02 6.382333501e+01 9.679750115e+01 1.56 1.614547407e+02 1.057364882e+02 1.496765600e+02 1.616956514e+02 1.617674357e+02 5.063789455e+01 9.823283217e+01 1.511790256e+02 6.014979436e+01 9.174583178e+01 1.58 1.545146706e+02 9.925037784e+01 1.429605018e+02 1.548958090e+02 1.550384188e+02 4.815388168e+01 9.269894205e+01 1.446131965e+02 5.658926633e+01 8.724716326e+01 1.60 1.479623558e+02 9.264856980e+01 1.363665801e+02 1.483609619e+02 1.485697272e+02 4.583746533e+01 8.768510368e+01 1.383528999e+02 5.288022015e+01 8.306193180e+01 1.62 1.418617336e+02 8.669308395e+01 1.298914856e+02 1.420910857e+02 1.423343022e+02 4.364950083e+01 8.284531378e+01 1.323665774e+02 4.947350523e+01 7.909809728e+01 1.64 1.360451199e+02 8.084309087e+01 1.234558232e+02 1.360202157e+02 1.362562430e+02 4.148191235e+01 7.822654806e+01 1.265656213e+02 4.623628681e+01 7.540787606e+01 1.66 1.302876252e+02 7.511537532e+01 1.171211940e+02 1.301289017e+02 1.303284311e+02 3.932167358e+01 7.382747160e+01 1.208818463e+02 4.317900519e+01 7.185299660e+01 1.68 1.245661656e+02 6.962540102e+01 1.110611878e+02 1.244162955e+02 1.245609685e+02 3.726501426e+01 6.967670319e+01 1.153134182e+02 4.027045918e+01 6.836511793e+01 1.70 1.190769341e+02 6.443270202e+01 1.048794577e+02 1.189518263e+02 1.190347722e+02 3.533107298e+01 6.578470885e+01 1.099321886e+02 3.753321802e+01 6.498593316e+01 1.72 1.137289479e+02 5.956053178e+01 9.931459390e+01 1.136540720e+02 1.136940719e+02 3.349154955e+01 6.208250005e+01 1.046921469e+02 3.496666401e+01 6.168448435e+01 1.74 1.084701369e+02 5.499292474e+01 9.376630887e+01 1.084755453e+02 1.084865659e+02 3.168916034e+01 5.846587036e+01 9.960082102e+01 3.252146682e+01 5.846607717e+01 1.76 1.033731709e+02 5.027098687e+01 8.821983738e+01 1.033835586e+02 1.033366780e+02 2.986699720e+01 5.493352693e+01 9.460916861e+01 3.015627581e+01 5.536879705e+01 1.78 9.841020699e+01 4.614734734e+01 8.282819012e+01 9.837902965e+01 9.825588477e+01 2.808220149e+01 5.155068215e+01 8.967433282e+01 2.789775550e+01 5.235865701e+01 1.80 9.353407535e+01 4.217260879e+01 7.764817158e+01 9.347010269e+01 9.327234311e+01 2.634153787e+01 4.830820932e+01 8.482437398e+01 2.580302897e+01 4.939372067e+01 1.82 8.871721165e+01 3.838568577e+01 7.263345235e+01 8.865881884e+01 8.840671995e+01 2.459282721e+01 4.519291220e+01 8.008257801e+01 2.385871316e+01 4.645105874e+01 1.84 8.404293572e+01 3.481784606e+01 6.776208393e+01 8.397437968e+01 8.369502883e+01 2.280391484e+01 4.211247655e+01 7.546090841e+01 2.202105306e+01 4.361237246e+01 1.86 7.946831345e+01 3.148907571e+01 6.308108678e+01 7.938253309e+01 7.912109847e+01 2.101011333e+01 3.912275726e+01 7.089875256e+01 2.024557295e+01 4.084027220e+01 1.88 7.492595626e+01 2.842740949e+01 5.864120906e+01 7.483520714e+01 7.463892865e+01 1.925836676e+01 3.627849829e+01 6.634024776e+01 1.851390918e+01 3.808382359e+01 1.90 7.036942285e+01 2.564616213e+01 5.447324708e+01 7.031169701e+01 7.019685068e+01 1.757811284e+01 3.350928722e+01 6.122239526e+01 1.682398381e+01 3.531438939e+01 1.92 6.585714370e+01 2.311938264e+01 5.059034601e+01 6.580827173e+01 6.575522629e+01 1.598831879e+01 3.079996062e+01 5.671697217e+01 1.516983963e+01 3.260922219e+01 1.94 6.143491538e+01 2.078941930e+01 4.698757777e+01 6.132712076e+01 6.129312673e+01 1.449740771e+01 2.812719588e+01 5.232312118e+01 1.357193327e+01 3.003209301e+01 1.96 5.624562300e+01 1.850558312e+01 4.304176869e+01 5.607490567e+01 5.605602731e+01 1.280379013e+01 2.524483499e+01 4.775972207e+01 1.183232229e+01 2.713869486e+01 1.98 5.193606101e+01 1.649722105e+01 3.977745171e+01 5.174229914e+01 5.174567275e+01 1.143189523e+01 2.275996335e+01 4.358841409e+01 1.037514120e+01 2.472451168e+01 2.00 4.765488086e+01 1.466163283e+01 3.657936335e+01 4.751588669e+01 4.755601242e+01 1.008952899e+01 2.040505913e+01 3.952358496e+01 9.000546991e+00 2.233669897e+01 2.02 4.346256681e+01 1.299880688e+01 3.348349264e+01 4.343151156e+01 4.351402512e+01 8.807009699e+00 1.817745934e+01 3.563012925e+01 7.703824255e+00 2.001165477e+01 2.04 3.944801642e+01 1.150990487e+01 3.056072033e+01 3.952064685e+01 3.963839831e+01 7.631896069e+00 1.609653621e+01 3.195892628e+01 6.488808203e+00 1.781476327e+01 2.06 3.562759066e+01 1.018540604e+01 2.782421133e+01 3.577877243e+01 3.592452599e+01 6.575494824e+00 1.414018471e+01 2.854783399e+01 5.342086126e+00 1.575176020e+01 2.08 3.200761639e+01 9.000758985e+00 2.525290801e+01 3.219952420e+01 3.236956380e+01 5.607769412e+00 1.230942800e+01 2.543075384e+01 4.254586026e+00 1.380715326e+01 2.10 2.859588468e+01 7.934612246e+00 2.281401989e+01 2.881890652e+01 2.901253758e+01 4.690875689e+00 1.060256486e+01 2.262665643e+01 3.242766115e+00 1.196698457e+01 2.12 2.542297981e+01 6.967823013e+00 2.047677896e+01 2.568921937e+01 2.590556081e+01 3.787299374e+00 9.038896814e+00 2.015023250e+01 2.318814259e+00 1.023079424e+01 2.14 2.255784743e+01 6.104787995e+00 1.826492459e+01 2.286448079e+01 2.309120408e+01 2.915969859e+00 7.640558208e+00 1.800332093e+01 1.495047791e+00 8.629422384e+00 2.16 2.005100531e+01 5.348382898e+00 1.620955666e+01 2.036905220e+01 2.057987476e+01 2.113870327e+00 6.389555234e+00 1.616619788e+01 7.728110161e-01 7.194178752e+00 2.18 1.792206333e+01 4.648540489e+00 1.430252018e+01 1.820128214e+01 1.836779051e+01 1.371807820e+00 5.263456128e+00 1.457621161e+01 1.457594108e-01 5.923513652e+00 2.20 1.616450908e+01 3.953740452e+00 1.254465970e+01 1.634357186e+01 1.644100058e+01 6.825955817e-01 4.243056286e+00 1.318206716e+01 -4.056004589e-01 4.806054164e+00 2.22 1.469492847e+01 3.253709229e+00 1.094650983e+01 1.473305265e+01 1.475219514e+01 5.981737462e-02 3.323627369e+00 1.193467591e+01 -8.955364462e-01 3.822155017e+00 2.24 1.340686324e+01 2.532128623e+00 9.530807148e+00 1.331466540e+01 1.326571632e+01 -4.645530804e-01 2.507472064e+00 1.076989589e+01 -1.321918413e+00 2.949576818e+00 2.26 1.219258710e+01 1.826763827e+00 8.307376197e+00 1.202280594e+01 1.193046361e+01 -8.923860830e-01 1.793280590e+00 9.675382141e+00 -1.695457481e+00 2.165446877e+00 2.28 1.099270920e+01 1.141452422e+00 7.258030368e+00 1.080809405e+01 1.069710107e+01 -1.244143747e+00 1.173730044e+00 8.653826023e+00 -2.018356826e+00 1.448912010e+00 2.30 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