# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2005--Mendelev-M-I-Srolovitz-D-J-Ackland-G-J-Han-S--Al-Fe # implementation = 2005--Mendelev-M-I--Al-Fe--LAMMPS--ipr1 # composition = Al # 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 nan nan 0.80 nan nan nan nan nan nan nan nan 5.823977583e+02 nan 0.82 nan nan nan nan nan nan nan nan 5.257755986e+02 nan 0.84 nan nan nan nan nan nan nan nan 4.753428501e+02 nan 0.86 nan nan nan nan nan 3.771084526e+02 nan nan 4.303042839e+02 nan 0.88 nan nan nan nan nan 3.422419031e+02 nan nan 3.900343363e+02 nan 0.90 nan nan nan nan nan 3.109439285e+02 nan nan 3.540018997e+02 nan 0.92 nan nan nan nan nan 2.827977564e+02 nan nan 3.217078036e+02 nan 0.94 nan nan nan nan nan 2.574521175e+02 nan nan 2.927085100e+02 nan 0.96 nan nan nan nan nan 2.346114891e+02 nan nan 2.666070365e+02 nan 0.98 nan nan nan 5.778185170e+02 5.778247008e+02 2.140110934e+02 nan nan 2.430658471e+02 3.636884597e+02 1.00 nan 3.232531081e+02 nan 5.308367960e+02 5.308276483e+02 1.953584983e+02 3.352149516e+02 nan 2.217801334e+02 3.329447496e+02 1.02 nan 2.957244351e+02 nan 4.881235678e+02 4.880958637e+02 1.784094611e+02 3.070399095e+02 nan 2.024927933e+02 3.050729278e+02 1.04 nan 2.707209886e+02 nan 4.492276477e+02 4.491861858e+02 1.629821258e+02 2.814638039e+02 nan 1.849986124e+02 2.797766649e+02 1.06 nan 2.480045549e+02 nan 4.137635006e+02 4.137189781e+02 1.489181333e+02 2.582161937e+02 nan 1.691209189e+02 2.568010177e+02 1.08 nan 2.273585324e+02 nan 3.813915070e+02 3.813566369e+02 1.360818421e+02 2.370715250e+02 nan 1.546955926e+02 2.358989235e+02 1.10 nan 2.085795427e+02 nan 3.518245102e+02 3.518105472e+02 1.243478293e+02 2.178153987e+02 3.225003898e+02 1.415483009e+02 2.168608026e+02 1.12 3.247592805e+02 1.914668800e+02 2.860743372e+02 3.247995890e+02 3.248156190e+02 1.135976093e+02 2.002351567e+02 2.974369577e+02 1.295379228e+02 1.994992749e+02 1.14 2.999965765e+02 1.758384469e+02 2.637594858e+02 3.000636660e+02 3.001127565e+02 1.037362370e+02 1.841691101e+02 2.744909542e+02 1.185429068e+02 1.836489807e+02 1.16 2.772726682e+02 1.615445490e+02 2.433138187e+02 2.773619553e+02 2.774359785e+02 9.470140309e+01 1.694770787e+02 2.534461318e+02 1.084599607e+02 1.691326451e+02 1.18 2.563964469e+02 1.484581374e+02 2.245962274e+02 2.564877968e+02 2.565691245e+02 8.644952282e+01 1.560299487e+02 2.341263296e+02 9.919997436e+01 1.558230993e+02 1.20 2.371994078e+02 1.364757919e+02 2.074399746e+02 2.372685505e+02 2.373386653e+02 7.895018957e+01 1.437095662e+02 2.163806483e+02 9.069110998e+01 1.435950181e+02 1.22 2.195368361e+02 1.255081344e+02 1.917026082e+02 2.195682426e+02 2.196153689e+02 7.213671326e+01 1.324035440e+02 2.000764437e+02 8.287535686e+01 1.323379546e+02 1.24 2.032871186e+02 1.154688671e+02 1.772512357e+02 2.032729429e+02 2.032888588e+02 6.593949971e+01 1.220088301e+02 1.850899210e+02 7.572256722e+01 1.219583805e+02 1.26 1.883249093e+02 1.062732181e+02 1.639747154e+02 1.882708648e+02 1.882542503e+02 6.029273282e+01 1.124387418e+02 1.712955921e+02 6.920841313e+01 1.123702722e+02 1.28 1.745285395e+02 9.784219534e+01 1.517714948e+02 1.744531246e+02 1.744108469e+02 5.513870207e+01 1.036218667e+02 1.585790160e+02 6.327377457e+01 1.034976909e+02 1.30 1.617919610e+02 9.010458188e+01 1.405410275e+02 1.617192928e+02 1.616618846e+02 5.042678342e+01 9.548424127e+01 1.468457501e+02 5.786258012e+01 9.527767673e+01 1.32 1.500214727e+02 8.298663753e+01 1.301897654e+02 1.499687605e+02 1.499075198e+02 4.611096999e+01 8.795471773e+01 1.360142472e+02 5.291699000e+01 8.766019761e+01 1.34 1.391472801e+02 7.640646954e+01 1.206316930e+02 1.391161737e+02 1.390596745e+02 4.215018047e+01 8.097987520e+01 1.260149772e+02 4.838829315e+01 8.061472399e+01 1.36 1.290973784e+02 7.032317630e+01 1.117926915e+02 1.290847524e+02 1.290395834e+02 3.851310031e+01 7.451957945e+01 1.167758674e+02 4.423983387e+01 7.412177780e+01 1.38 1.198012223e+02 6.472312579e+01 1.036140180e+02 1.198041641e+02 1.197756546e+02 3.517726364e+01 6.856863218e+01 1.082323303e+02 4.043698864e+01 6.817067978e+01 1.40 1.111940361e+02 5.956668348e+01 9.604111226e+01 1.112089201e+02 1.111995224e+02 3.212333649e+01 6.309150973e+01 1.003272584e+02 3.694699015e+01 6.271390562e+01 1.42 1.032155240e+02 5.481984379e+01 8.901736434e+01 1.032391726e+02 1.032491407e+02 2.933889099e+01 5.804792188e+01 9.300871861e+01 3.374011899e+01 5.770500817e+01 1.44 9.581637623e+01 5.045059607e+01 8.249991681e+01 9.584397458e+01 9.587075974e+01 2.680827836e+01 5.340007235e+01 8.622893182e+01 3.078959682e+01 5.310645237e+01 1.46 8.895614411e+01 4.641380547e+01 7.644654302e+01 8.898210767e+01 8.902006884e+01 2.451093275e+01 4.911471612e+01 7.994466138e+01 2.807300200e+01 4.888871656e+01 1.48 8.259246540e+01 4.268048905e+01 7.082596896e+01 8.261413388e+01 8.265641727e+01 2.242353683e+01 4.516504379e+01 7.411405676e+01 2.557250047e+01 4.501995921e+01 1.50 7.668350931e+01 3.922899747e+01 6.562930788e+01 7.670133088e+01 7.674185359e+01 2.052237253e+01 4.152908476e+01 6.871779992e+01 2.327214448e+01 4.146678930e+01 1.52 7.119751045e+01 3.604008997e+01 6.082158355e+01 7.121192439e+01 7.124666697e+01 1.878594523e+01 3.818395856e+01 6.373575899e+01 2.115615916e+01 3.819607296e+01 1.54 6.612431840e+01 3.309393321e+01 5.636898924e+01 6.613635223e+01 6.616417857e+01 1.719663503e+01 3.510339027e+01 5.913015321e+01 1.920941473e+01 3.517468224e+01 1.56 6.142951685e+01 3.036959556e+01 5.223924363e+01 6.144108295e+01 6.146289548e+01 1.573804740e+01 3.226434087e+01 5.486682496e+01 1.741994765e+01 3.237379558e+01 1.58 5.708010280e+01 2.784596849e+01 4.840361540e+01 5.709294362e+01 5.711010890e+01 1.439514848e+01 2.964557825e+01 5.090321717e+01 1.577610557e+01 2.977138270e+01 1.60 5.304874365e+01 2.550372804e+01 4.483914934e+01 5.306325642e+01 5.307675589e+01 1.315538849e+01 2.722687940e+01 4.721485703e+01 1.426640855e+01 2.735188546e+01 1.62 4.929429440e+01 2.332341365e+01 4.151461371e+01 4.930972502e+01 4.931953554e+01 1.200240677e+01 2.498410377e+01 4.377653373e+01 1.287491410e+01 2.509399886e+01 1.64 4.578280344e+01 2.128767712e+01 3.840220994e+01 4.579821531e+01 4.580325704e+01 1.092283258e+01 2.289683220e+01 4.056661903e+01 1.158716732e+01 2.298529927e+01 1.66 4.249917174e+01 1.938381114e+01 3.548878564e+01 4.251330037e+01 4.251209425e+01 9.912497704e+00 2.095322340e+01 3.756982676e+01 1.039509220e+01 2.102306367e+01 1.68 3.942884389e+01 1.760275511e+01 3.276448040e+01 3.944009967e+01 3.943183382e+01 8.969913625e+00 1.914334160e+01 3.477144793e+01 9.291819972e+00 1.920281855e+01 1.70 3.655917686e+01 1.593817722e+01 3.022239395e+01 3.656513293e+01 3.655024220e+01 8.094868659e+00 1.745769697e+01 3.215806130e+01 8.271005395e+00 1.751733319e+01 1.72 3.387837077e+01 1.438485224e+01 2.785421117e+01 3.387621034e+01 3.385621268e+01 7.284836223e+00 1.588683635e+01 2.971648863e+01 7.327102843e+00 1.595630847e+01 1.74 3.137373211e+01 1.293873245e+01 2.565058500e+01 3.136154781e+01 3.133860659e+01 6.535767654e+00 1.442213407e+01 2.743354058e+01 6.455365956e+00 1.450826043e+01 1.76 2.903183091e+01 1.159519863e+01 2.360196084e+01 2.900937440e+01 2.898577701e+01 5.843551289e+00 1.305603889e+01 2.529622725e+01 5.651879201e+00 1.316324414e+01 1.78 2.683880240e+01 1.034867821e+01 2.169830919e+01 2.680804095e+01 2.678591630e+01 5.203969595e+00 1.178182170e+01 2.329233929e+01 4.913116093e+00 1.191254180e+01 1.80 2.478118394e+01 9.194134186e+00 1.992980901e+01 2.474602593e+01 2.472723432e+01 4.613317259e+00 1.059300167e+01 2.141166239e+01 4.235090681e+00 1.074776584e+01 1.82 2.284731423e+01 8.126584834e+00 1.828662577e+01 2.281242852e+01 2.279851629e+01 4.068203481e+00 9.483009391e+00 1.964579614e+01 3.613082681e+00 9.661798158e+00 1.84 2.102717932e+01 7.140718350e+00 1.675795053e+01 2.099714666e+01 2.098937916e+01 3.564706074e+00 8.446652730e+00 1.798881711e+01 3.042129948e+00 8.649276145e+00 1.86 1.931378319e+01 6.229686339e+00 1.533178002e+01 1.929255116e+01 1.929159999e+01 3.098323338e+00 7.479879220e+00 1.643699158e+01 2.517348567e+00 7.706223161e+00 1.88 1.770402842e+01 5.387874626e+00 1.399512417e+01 1.769402749e+01 1.769937695e+01 2.664162205e+00 6.578640501e+00 1.498668588e+01 2.034841506e+00 6.829833670e+00 1.90 1.619548274e+01 4.609977359e+00 1.273622035e+01 1.619711248e+01 1.620710380e+01 2.257308095e+00 5.739433044e+00 1.363352493e+01 1.590869974e+00 6.017514425e+00 1.92 1.478504877e+01 3.890328308e+00 1.154610038e+01 1.479700561e+01 1.480950879e+01 1.873388642e+00 4.959478652e+00 1.237232314e+01 1.182262998e+00 5.266477446e+00 1.94 1.346852226e+01 3.223642137e+00 1.041819828e+01 1.348857499e+01 1.350171759e+01 1.509000519e+00 4.236298066e+00 1.119744124e+01 8.065312752e-01 4.573518411e+00 1.96 1.224082823e+01 2.605609975e+00 9.348177461e+00 1.226646286e+01 1.227902387e+01 1.162180824e+00 3.567701558e+00 1.010304642e+01 4.614650825e-01 3.934916442e+00 1.98 1.109647095e+01 2.032770997e+00 8.333943352e+00 1.112519917e+01 1.113674697e+01 8.328394986e-01 2.951656966e+00 9.083437915e+00 1.449224117e-01 3.346387898e+00 2.00 1.002977530e+01 1.502140088e+00 7.376779497e+00 1.005922354e+01 1.006999494e+01 5.219884820e-01 2.385786138e+00 8.132908773e+00 -1.453374088e-01 2.803627915e+00 2.02 9.034856567e+00 1.010890740e+00 6.478090121e+00 9.062857098e+00 9.073409519e+00 2.307884797e-01 1.867249519e+00 7.245642748e+00 -4.117563357e-01 2.302780323e+00 2.04 8.105825150e+00 5.556200817e-01 5.638662397e+00 8.130493930e+00 8.141206340e+00 -3.981086653e-02 1.392969024e+00 6.415874979e+00 -6.566069058e-01 1.840430896e+00 2.06 7.237166457e+00 1.346417104e-01 4.858372656e+00 7.257017492e+00 7.267825176e+00 -2.892640708e-01 9.597493282e-01 5.638171294e+00 -8.819576862e-01 1.413732138e+00 2.08 6.424159487e+00 -2.537080020e-01 4.136023130e+00 6.438006966e+00 6.448419664e+00 -5.175463461e-01 5.641767470e-01 4.907909025e+00 -1.089800045e+00 1.020600860e+00 2.10 5.662547673e+00 -6.112899574e-01 3.469229770e+00 5.669649241e+00 5.678949912e+00 -7.252769809e-01 2.025955402e-01 4.221277774e+00 -1.281814880e+00 6.592025748e-01 2.12 4.948108126e+00 -9.400094787e-01 2.854662743e+00 4.948571205e+00 4.956167680e+00 -9.135546818e-01 -1.285375394e-01 3.575085876e+00 -1.459318292e+00 3.273666244e-01 2.14 4.276550737e+00 -1.241271930e+00 2.288434643e+00 4.271454841e+00 4.277046511e+00 -1.083718630e+00 -4.324365245e-01 2.966630349e+00 -1.623241185e+00 2.236012415e-02 2.16 3.643452871e+00 -1.516085969e+00 1.766442129e+00 3.634747004e+00 3.638419783e+00 -1.237240775e+00 -7.117419232e-01 2.393490623e+00 -1.774061714e+00 -2.592780917e-01 2.18 3.044852687e+00 -1.765284795e+00 1.284879733e+00 3.034951241e+00 3.037170326e+00 -1.375536638e+00 -9.683412562e-01 1.853891703e+00 -1.912076194e+00 -5.212218249e-01 2.20 2.478341686e+00 -1.989508215e+00 8.404849654e-01 2.469409844e+00 2.470765476e+00 -1.499899032e+00 -1.203692211e+00 1.346245487e+00 -2.037772670e+00 -7.662312216e-01 2.22 1.942535423e+00 -2.189445318e+00 4.300506917e-01 1.936122811e+00 1.937166906e+00 -1.611779170e+00 -1.418969914e+00 8.697782172e-01 -2.151692952e+00 -9.964492176e-01 2.24 1.436755186e+00 -2.366001207e+00 5.035464835e-02 1.433664778e+00 1.434823536e+00 -1.712832547e+00 -1.615436869e+00 4.254242402e-01 -2.254371036e+00 -1.213504106e+00 2.26 9.605708426e-01 -2.520416836e+00 -3.019464571e-01 9.609188341e-01 9.624415192e-01 -1.804946986e+00 -1.794373291e+00 1.378644420e-02 -2.346371896e+00 -1.418547194e+00 2.28 5.130853336e-01 -2.654357643e+00 -6.305585939e-01 5.165162360e-01 5.184483594e-01 -1.890293626e+00 -1.957323465e+00 -3.651408556e-01 -2.428473078e+00 -1.612372964e+00 2.30 9.638003832e-02 -2.769370075e+00 -9.367833910e-01 1.021548134e-01 1.043214558e-01 -1.969819196e+00 -2.104918744e+00 -7.109129463e-01 -2.500837629e+00 -1.793840474e+00 2.32 -2.877206287e-01 -2.867092007e+00 -1.221102252e+00 -2.807118876e-01 -2.787220656e-01 -2.043879168e+00 -2.237943028e+00 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