# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co # implementation = 2015--Purja-Pun-G-P--Ni-Al-Co--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 3.758392905e+02 nan 0.82 nan nan nan nan nan nan nan nan 3.431377843e+02 nan 0.84 nan nan nan nan nan nan nan nan 3.133575450e+02 nan 0.86 nan nan nan nan nan 2.380871929e+02 nan nan 2.861880470e+02 nan 0.88 nan nan nan nan nan 2.172560562e+02 nan nan 2.614385467e+02 nan 0.90 nan nan nan nan nan 1.983615063e+02 nan nan 2.389394613e+02 nan 0.92 nan nan nan nan nan 1.811697717e+02 nan nan 2.183647944e+02 nan 0.94 nan nan nan nan nan 1.654272669e+02 nan nan 1.994689798e+02 nan 0.96 nan nan nan nan nan 1.509343556e+02 nan nan 1.821378121e+02 nan 0.98 nan nan nan 3.875041114e+02 3.874896865e+02 1.374642249e+02 nan nan 1.662537462e+02 2.498822309e+02 1.00 nan 2.303223300e+02 nan 3.598536908e+02 3.598377730e+02 1.248892026e+02 2.348769882e+02 nan 1.517048289e+02 2.301143151e+02 1.02 nan 2.122782153e+02 nan 3.343279713e+02 3.342931508e+02 1.132639713e+02 2.164180705e+02 nan 1.384135102e+02 2.118879006e+02 1.04 nan 1.955572800e+02 nan 3.107103532e+02 3.106435727e+02 1.025670844e+02 1.993291265e+02 nan 1.263098900e+02 1.950921688e+02 1.06 nan 1.800867748e+02 nan 2.888623893e+02 2.887752913e+02 9.266039161e+01 1.835023598e+02 nan 1.152680387e+02 1.795598127e+02 1.08 nan 1.657702430e+02 nan 2.686473235e+02 2.685815646e+02 8.342996124e+01 1.688498828e+02 nan 1.051240135e+02 1.651845611e+02 1.10 nan 1.524673107e+02 nan 2.498901298e+02 2.498746524e+02 7.480953767e+01 1.552496396e+02 2.308620987e+02 9.574882441e+01 1.519686902e+02 1.12 2.323396482e+02 1.400932888e+02 2.071226566e+02 2.324137749e+02 2.324469029e+02 6.674323550e+01 1.426360460e+02 2.142498036e+02 8.704700694e+01 1.398751547e+02 1.14 2.158937718e+02 1.285909419e+02 1.919877133e+02 2.161210228e+02 2.161988112e+02 5.919271208e+01 1.309768475e+02 1.988287608e+02 7.892179405e+01 1.287392841e+02 1.16 2.006584944e+02 1.178961604e+02 1.778616514e+02 2.009421912e+02 2.010575254e+02 5.238351262e+01 1.202176649e+02 1.845214030e+02 7.128180577e+01 1.184559855e+02 1.18 1.865379340e+02 1.079398399e+02 1.646573860e+02 1.867719970e+02 1.868961573e+02 4.635956356e+01 1.102949468e+02 1.712199049e+02 6.407891128e+01 1.090207077e+02 1.20 1.733897720e+02 9.868234614e+01 1.523387608e+02 1.734844884e+02 1.735841778e+02 4.104032029e+01 1.011772507e+02 1.587816406e+02 5.729186041e+01 1.003357236e+02 1.22 1.610759453e+02 9.007845104e+01 1.408525800e+02 1.610110768e+02 1.610691536e+02 3.635601619e+01 9.283813419e+01 1.470808365e+02 5.111573441e+01 9.224085905e+01 1.24 1.494767554e+02 8.206249408e+01 1.301244212e+02 1.493284732e+02 1.493451074e+02 3.222160015e+01 8.519286289e+01 1.360522332e+02 4.558856698e+01 8.459904203e+01 1.26 1.385296018e+02 7.457015292e+01 1.201061531e+02 1.383948936e+02 1.383797216e+02 2.854815475e+01 7.810014044e+01 1.256892593e+02 4.063556471e+01 7.733311347e+01 1.28 1.282070546e+02 6.756871635e+01 1.107283455e+02 1.281457572e+02 1.281194922e+02 2.525881855e+01 7.143252482e+01 1.159919144e+02 3.619404355e+01 7.042420940e+01 1.30 1.184996386e+02 6.107130568e+01 1.019004916e+02 1.185286996e+02 1.185145685e+02 2.229831811e+01 6.511668545e+01 1.069370958e+02 3.222181899e+01 6.388041028e+01 1.32 1.094123554e+02 5.508356069e+01 9.358317216e+01 1.095124564e+02 1.095165512e+02 1.963003185e+01 5.912142133e+01 9.849957071e+01 2.868634406e+01 5.768774035e+01 1.34 1.009507571e+02 4.974460291e+01 8.582005922e+01 1.010720221e+02 1.010789613e+02 1.724474815e+01 5.351045554e+01 9.065316668e+01 2.555129915e+01 5.196972626e+01 1.36 9.309237159e+01 4.502075291e+01 7.866381687e+01 9.317745693e+01 9.316874872e+01 1.514303505e+01 4.841699261e+01 8.336117361e+01 2.277423387e+01 4.677455029e+01 1.38 8.580357976e+01 4.080614724e+01 7.209806511e+01 8.580698332e+01 8.577314120e+01 1.330919254e+01 4.378697742e+01 7.657986863e+01 2.030526691e+01 4.205895227e+01 1.40 7.902163412e+01 3.700768462e+01 6.605250093e+01 7.893808928e+01 7.887893119e+01 1.170903843e+01 3.956202267e+01 7.025609252e+01 1.809289097e+01 3.779892482e+01 1.42 7.267279243e+01 3.357421779e+01 6.045794870e+01 7.253338213e+01 7.245317989e+01 1.030142691e+01 3.570317344e+01 6.434072705e+01 1.609884894e+01 3.397528277e+01 1.44 6.671343433e+01 3.048030015e+01 5.527657739e+01 6.654924574e+01 6.644925593e+01 9.054826381e+00 3.218773522e+01 5.879360085e+01 1.430086430e+01 3.056548257e+01 1.46 6.111245498e+01 2.769345262e+01 5.059797611e+01 6.093977153e+01 6.082024642e+01 7.949075505e+00 2.899825707e+01 5.362533006e+01 1.268312310e+01 2.752765427e+01 1.48 5.583704588e+01 2.517393921e+01 4.636282837e+01 5.566998579e+01 5.554023577e+01 6.964693063e+00 2.611801084e+01 4.894210631e+01 1.123260878e+01 2.480316463e+01 1.50 5.099163493e+01 2.289320216e+01 4.248287170e+01 5.085230942e+01 5.073519075e+01 6.082403496e+00 2.352331181e+01 4.469619060e+01 9.937172459e+00 2.233680917e+01 1.52 4.660154865e+01 2.083285964e+01 3.890707803e+01 4.650350905e+01 4.641752903e+01 5.286112372e+00 2.118100524e+01 4.084146373e+01 8.779300117e+00 2.008716364e+01 1.54 4.263657451e+01 1.896984277e+01 3.561715701e+01 4.258198173e+01 4.253687235e+01 4.565555434e+00 1.905867026e+01 3.734018190e+01 7.736683324e+00 1.803365094e+01 1.56 3.905297191e+01 1.726828283e+01 3.260745971e+01 3.904071792e+01 3.903725207e+01 3.915641412e+00 1.713170557e+01 3.415294492e+01 6.791929827e+00 1.617103316e+01 1.58 3.579201789e+01 1.569815380e+01 2.986359360e+01 3.582685638e+01 3.586072189e+01 3.333822923e+00 1.538615405e+01 3.124178389e+01 5.934698556e+00 1.449973719e+01 1.60 3.279665961e+01 1.424680430e+01 2.735516960e+01 3.288689777e+01 3.295248226e+01 2.816829577e+00 1.381348409e+01 2.857597513e+01 5.157299511e+00 1.301116259e+01 1.62 3.003525697e+01 1.291263655e+01 2.504842681e+01 3.017958550e+01 3.027007677e+01 2.360480062e+00 1.240191985e+01 2.613654195e+01 4.451447593e+00 1.168454346e+01 1.64 2.750419064e+01 1.169153658e+01 2.291618335e+01 2.768140116e+01 2.778786049e+01 1.959806087e+00 1.113534588e+01 2.391187441e+01 3.809003993e+00 1.049437318e+01 1.66 2.520404333e+01 1.057110724e+01 2.093688932e+01 2.537950998e+01 2.549146615e+01 1.607281290e+00 9.998270238e+00 2.188613001e+01 3.223686915e+00 9.418172825e+00 1.68 2.311571415e+01 9.534481019e+00 1.909602505e+01 2.325947745e+01 2.336700226e+01 1.293883255e+00 8.975839846e+00 2.003844985e+01 2.691002688e+00 8.438045756e+00 1.70 2.121057716e+01 8.569246276e+00 1.739130905e+01 2.130868641e+01 2.140384781e+01 1.012767723e+00 8.054507954e+00 1.834933601e+01 2.206665536e+00 7.541727610e+00 1.72 1.946432392e+01 7.671242644e+00 1.583008469e+01 1.951743345e+01 1.959484395e+01 7.616569597e-01 7.222634096e+00 1.680353938e+01 1.766635100e+00 6.719107126e+00 1.74 1.786000679e+01 6.841167779e+00 1.441718455e+01 1.787651047e+01 1.793341479e+01 5.407944210e-01 6.468717537e+00 1.538814719e+01 1.367439197e+00 5.961174470e+00 1.76 1.638665046e+01 6.079600420e+00 1.314467349e+01 1.637630000e+01 1.641182412e+01 3.495381305e-01 5.778832697e+00 1.409315340e+01 1.006065545e+00 5.262492913e+00 1.78 1.503552901e+01 5.382691803e+00 1.199293073e+01 1.500537869e+01 1.501917946e+01 1.847445358e-01 5.138745912e+00 1.290704403e+01 6.789501921e-01 4.620834388e+00 1.80 1.379691356e+01 4.742145048e+00 1.094184958e+01 1.375062623e+01 1.374235490e+01 4.260386653e-02 4.538505877e+00 1.181589875e+01 3.823561152e-01 4.033955546e+00 1.82 1.265888063e+01 4.147702525e+00 9.978292630e+00 1.259938588e+01 1.256961634e+01 -7.989571794e-02 3.973589229e+00 1.080603994e+01 1.141556109e-01 3.497197198e+00 1.84 1.160807403e+01 3.589911857e+00 9.093419157e+00 1.154078987e+01 1.149233559e+01 -1.854620116e-01 3.442567908e+00 9.867055525e+00 -1.267764527e-01 3.003982802e+00 1.86 1.063276421e+01 3.062551924e+00 8.276521301e+00 1.056511899e+01 1.050294075e+01 -2.773847727e-01 2.944508717e+00 8.992965441e+00 -3.420137848e-01 2.548918322e+00 1.88 9.725221759e+00 2.563353125e+00 7.516519855e+00 9.664155072e+00 9.594767069e+00 -3.588434333e-01 2.478012073e+00 8.179954672e+00 -5.343002701e-01 2.129290284e+00 1.90 8.879351909e+00 2.092238390e+00 6.804136415e+00 8.830268799e+00 8.761321859e+00 -4.329257920e-01 2.041465951e+00 7.423806645e+00 -7.070267751e-01 1.743104859e+00 1.92 8.088973296e+00 1.649453055e+00 6.132585224e+00 8.055658870e+00 7.994758809e+00 -5.055173838e-01 1.633267535e+00 6.719681238e+00 -8.631157189e-01 1.387519116e+00 1.94 7.349563469e+00 1.235262664e+00 5.497645498e+00 7.333319417e+00 7.285975305e+00 -5.836225071e-01 1.251704135e+00 6.063430843e+00 -1.004722131e+00 1.059824377e+00 1.96 6.658966191e+00 8.488982104e-01 4.897750376e+00 6.657816248e+00 6.626272080e+00 -6.723651814e-01 8.948530713e-01 5.451873347e+00 -1.132961980e+00 7.587083035e-01 1.98 6.016133121e+00 4.880434392e-01 4.332927637e+00 6.025284126e+00 6.008998357e+00 -7.723254620e-01 5.611046060e-01 4.881636166e+00 -1.248517104e+00 4.838983588e-01 2.00 5.419525782e+00 1.492387116e-01 3.801773790e+00 5.432845706e+00 5.429538307e+00 -8.774966754e-01 2.496290739e-01 4.348688862e+00 -1.351903141e+00 2.344657126e-01 2.02 4.865263588e+00 -1.701138933e-01 3.300784991e+00 4.877982710e+00 4.884910489e+00 -9.826244771e-01 -3.979410793e-02 3.847748673e+00 -1.444102136e+00 8.160843036e-03 2.04 4.346988259e+00 -4.717594833e-01 2.825996896e+00 4.357530535e+00 4.372420112e+00 -1.083717657e+00 -3.071090242e-01 3.372463237e+00 -1.528146574e+00 -1.984685972e-01 2.06 3.857676871e+00 -7.563758028e-01 2.375291285e+00 3.867268937e+00 3.888486931e+00 -1.178272458e+00 -5.524104969e-01 2.917614327e+00 -1.607527331e+00 -3.884865063e-01 2.08 3.392257856e+00 -1.023841001e+00 1.948643165e+00 3.403110337e+00 3.429318837e+00 -1.265710849e+00 -7.763610732e-01 2.479974757e+00 -1.685504762e+00 -5.634741421e-01 2.10 2.947501242e+00 -1.273363221e+00 1.547337624e+00 2.961297550e+00 2.991221709e+00 -1.345300685e+00 -9.801208716e-01 2.058266005e+00 -1.765029548e+00 -7.240938759e-01 2.12 2.520579996e+00 -1.504127577e+00 1.171009565e+00 2.538002054e+00 2.570406066e+00 -1.417184227e+00 -1.165357147e+00 1.652068492e+00 -1.847438820e+00 -8.714659140e-01 2.14 2.108260639e+00 -1.715516553e+00 8.170286859e-01 2.129524740e+00 2.163420011e+00 -1.482907087e+00 -1.333808695e+00 1.261714636e+00 -1.931102205e+00 -1.007884945e+00 2.16 1.708602994e+00 -1.906920029e+00 4.820420334e-01 1.733849201e+00 1.768453411e+00 -1.544565866e+00 -1.486989019e+00 8.887163771e-01 -2.013859894e+00 -1.135320487e+00 2.18 1.322060222e+00 -2.078457504e+00 1.627787294e-01 1.351231740e+00 1.385644123e+00 -1.604127523e+00 -1.626180443e+00 5.347227064e-01 -2.093303808e+00 -1.255026788e+00 2.20 9.505746269e-01 -2.230925106e+00 -1.430778338e-01 9.829892965e-01 1.015994108e+00 -1.662953523e+00 -1.752525942e+00 2.009488362e-01 -2.167147768e+00 -1.367880759e+00 2.22 5.970655784e-01 -2.365753220e+00 -4.366531341e-01 6.309125860e-01 6.609973335e-01 -1.721789377e+00 -1.866921524e+00 -1.120976184e-01 -2.233904000e+00 -1.474505136e+00 2.24 2.643231235e-01 -2.485091155e+00 -7.180685899e-01 2.966262880e-01 3.221391193e-01 -1.781006760e+00 -1.970355694e+00 -4.046846409e-01 -2.293791573e+00 -1.576339456e+00 2.26 -4.638050882e-02 -2.591498277e+00 -9.866710828e-01 -1.905883058e-02 4.458161380e-04 -1.840938342e+00 -2.064587665e+00 -6.779403204e-01 -2.347774298e+00 -1.675588590e+00 2.28 -3.358475967e-01 -2.687385870e+00 -1.241151599e+00 -3.163627900e-01 -3.037528012e-01 -1.901712832e+00 -2.151276862e+00 -9.332361164e-01 -2.397017835e+00 -1.774292066e+00 2.30 -6.062572207e-01 -2.774504454e+00 -1.479550911e+00 -5.960917193e-01 -5.905598111e-01 -1.962758139e+00 -2.231601141e+00 -1.171602754e+00 -2.442435509e+00 -1.874070576e+00 2.32 -8.598804603e-01 -2.853802990e+00 -1.700047584e+00 -8.590328985e-01 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