# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Plummer-G-Tucker-G-J--Ti-Si-C # implementation = 2019--Plummer-G--Ti-Si-C--LAMMPS--ipr1 # composition = Ti # 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 1.454679085e+03 nan nan nan nan 0.68 nan nan nan nan nan 1.305050874e+03 nan nan nan nan 0.70 nan nan nan nan nan 1.172212294e+03 nan nan 1.390922641e+03 nan 0.72 nan nan nan nan nan 1.055081528e+03 nan nan 1.254243626e+03 nan 0.74 nan nan nan nan nan 9.525835481e+02 nan nan 1.132427972e+03 nan 0.76 nan 1.461359496e+03 nan nan nan 8.623497955e+02 1.485618966e+03 nan 1.023394499e+03 1.464548089e+03 0.78 nan 1.328104156e+03 nan nan nan 7.808494904e+02 1.351562969e+03 nan 9.256714907e+02 1.333002989e+03 0.80 nan 1.209120104e+03 nan nan nan 7.068188384e+02 1.232658022e+03 nan 8.387204318e+02 1.213738340e+03 0.82 nan 1.101861627e+03 1.522897782e+03 nan nan 6.390623209e+02 1.125458192e+03 nan 7.615837391e+02 1.104928556e+03 0.84 nan 1.005730193e+03 1.392300414e+03 nan nan 5.777496770e+02 1.027343028e+03 1.436850529e+03 6.929472643e+02 1.006828043e+03 0.86 1.416355147e+03 9.190381606e+02 1.274953785e+03 1.418140277e+03 1.419049464e+03 5.233012816e+02 9.377426043e+02 1.317541176e+03 6.315031699e+02 9.193290914e+02 0.88 1.301172851e+03 8.407957683e+02 1.170421934e+03 1.302301666e+03 1.302916329e+03 4.759649250e+02 8.567918476e+02 1.210488168e+03 5.763473608e+02 8.415426745e+02 0.90 1.198090635e+03 7.703746680e+02 1.076501104e+03 1.197723309e+03 1.197741138e+03 4.346295672e+02 7.838800007e+02 1.114208061e+03 5.262998063e+02 7.716050355e+02 0.92 1.105146110e+03 7.061511322e+02 9.914144218e+02 1.103340487e+03 1.102748540e+03 3.974066021e+02 7.183122875e+02 1.026559487e+03 4.806025898e+02 7.084045232e+02 0.94 1.019602322e+03 6.477725109e+02 9.144349287e+02 1.017579192e+03 1.016587458e+03 3.634044730e+02 6.595797914e+02 9.459468186e+02 4.390021225e+02 6.507126180e+02 0.96 9.407833774e+02 5.946863919e+02 8.444125180e+02 9.393618795e+02 9.383355116e+02 3.325068949e+02 6.068095778e+02 8.716954826e+02 4.011432381e+02 5.978699255e+02 0.98 8.679424075e+02 5.464894546e+02 7.790737547e+02 8.677059617e+02 8.670728091e+02 3.040125910e+02 5.584502451e+02 8.034494695e+02 3.667576850e+02 5.492767577e+02 1.00 8.012743397e+02 5.024342499e+02 7.180900310e+02 8.020229902e+02 8.018960840e+02 2.776338334e+02 5.138015910e+02 7.409865251e+02 3.352139553e+02 5.050246549e+02 1.02 7.401705668e+02 4.616927241e+02 6.619398691e+02 7.416741936e+02 7.420502563e+02 2.534869070e+02 4.728326904e+02 6.839885532e+02 3.064418984e+02 4.647765201e+02 1.04 6.842940591e+02 4.244776982e+02 6.103458714e+02 6.861025064e+02 6.869084570e+02 2.314805508e+02 4.355515156e+02 6.322742562e+02 2.801968767e+02 4.286393499e+02 1.06 6.334870974e+02 3.910084052e+02 5.632232117e+02 6.350062266e+02 6.360790018e+02 2.115831235e+02 4.016747971e+02 5.852734147e+02 2.561709787e+02 3.955319766e+02 1.08 5.876837923e+02 3.607366850e+02 5.206835027e+02 5.881241805e+02 5.890538920e+02 1.937025977e+02 3.707350775e+02 5.424405247e+02 2.342733285e+02 3.649336052e+02 1.10 5.458803099e+02 3.327534148e+02 4.824745148e+02 5.451559933e+02 5.456186853e+02 1.775271422e+02 3.423697947e+02 5.030359004e+02 2.145485029e+02 3.366429952e+02 1.12 5.069055309e+02 3.069442939e+02 4.479674228e+02 5.056566633e+02 5.055845182e+02 1.628016100e+02 3.162772515e+02 4.664848487e+02 1.967034953e+02 3.100898915e+02 1.14 4.705946766e+02 2.833393440e+02 4.166910055e+02 4.694304680e+02 4.688975315e+02 1.494923631e+02 2.920957635e+02 4.326828729e+02 1.806114262e+02 2.853306390e+02 1.16 4.369174672e+02 2.618579438e+02 3.876939049e+02 4.360480342e+02 4.351541665e+02 1.373319091e+02 2.692997654e+02 4.016284630e+02 1.659774391e+02 2.625266439e+02 1.18 4.059187520e+02 2.420064217e+02 3.603968561e+02 4.052870612e+02 4.041617907e+02 1.259172418e+02 2.478114540e+02 3.730858713e+02 1.526313102e+02 2.416582131e+02 1.20 3.773322133e+02 2.235211755e+02 3.346755927e+02 3.769919414e+02 3.758409052e+02 1.151041143e+02 2.278358767e+02 3.468882730e+02 1.405710685e+02 2.224302779e+02 1.22 3.511889128e+02 2.063232327e+02 3.105491246e+02 3.511087526e+02 3.501239908e+02 1.048774479e+02 2.095010712e+02 3.227828523e+02 1.296286756e+02 2.049259211e+02 1.24 3.274347539e+02 1.902077362e+02 2.881499755e+02 3.273573196e+02 3.266924320e+02 9.534807286e+01 1.927511572e+02 3.003784717e+02 1.195016478e+02 1.891557974e+02 1.26 3.052098873e+02 1.751771159e+02 2.675843152e+02 3.051940891e+02 3.049908647e+02 8.662264388e+01 1.776186908e+02 2.791836364e+02 1.099473031e+02 1.748539577e+02 1.28 2.841583813e+02 1.612092691e+02 2.488362636e+02 2.842596206e+02 2.844988103e+02 7.877627723e+01 1.639534194e+02 2.591798420e+02 1.009636348e+02 1.619994636e+02 1.30 2.644040639e+02 1.482108768e+02 2.315619571e+02 2.645637966e+02 2.650945812e+02 7.183875175e+01 1.516065327e+02 2.404439738e+02 9.253675312e+01 1.505338348e+02 1.32 2.456957948e+02 1.361709796e+02 2.152579893e+02 2.459854247e+02 2.467031079e+02 6.558850511e+01 1.403757229e+02 2.228520634e+02 8.467602057e+01 1.400684205e+02 1.34 2.280401735e+02 1.251424516e+02 1.996611647e+02 2.285183597e+02 2.293388788e+02 5.987586005e+01 1.301093708e+02 2.063804769e+02 7.739117527e+01 1.304379849e+02 1.36 2.114929134e+02 1.151775862e+02 1.849172878e+02 2.121747924e+02 2.130142395e+02 5.472071338e+01 1.206774982e+02 1.911328974e+02 7.064596252e+01 1.213834562e+02 1.38 1.961154594e+02 1.062819146e+02 1.711295245e+02 1.969047324e+02 1.976859093e+02 5.010510998e+01 1.119402408e+02 1.771968212e+02 6.436199970e+01 1.127530542e+02 1.40 1.819474560e+02 9.832320829e+01 1.581719485e+02 1.827112859e+02 1.833343923e+02 4.581911029e+01 1.037968001e+02 1.645659404e+02 5.854070377e+01 1.044759726e+02 1.42 1.690395999e+02 9.118155887e+01 1.460824482e+02 1.696341959e+02 1.699945333e+02 4.181709209e+01 9.624559219e+01 1.531337408e+02 5.319080193e+01 9.657187380e+01 1.44 1.574192005e+02 8.468011493e+01 1.349006872e+02 1.577223598e+02 1.577440329e+02 3.807792894e+01 8.924089291e+01 1.427299230e+02 4.829503016e+01 8.908979500e+01 1.46 1.470662336e+02 7.853904586e+01 1.246561944e+02 1.469379405e+02 1.465776329e+02 3.458899907e+01 8.267654213e+01 1.332214058e+02 4.382667013e+01 8.207133098e+01 1.48 1.377308403e+02 7.261457847e+01 1.153959507e+02 1.371210121e+02 1.364020897e+02 3.136712292e+01 7.655401662e+01 1.242989772e+02 3.970246256e+01 7.547952067e+01 1.50 1.287446184e+02 6.689093928e+01 1.071326803e+02 1.278415020e+02 1.269120998e+02 2.842231928e+01 7.086157398e+01 1.157672680e+02 3.588407239e+01 6.916441219e+01 1.52 1.200975174e+02 6.140788732e+01 9.976147104e+01 1.190801983e+02 1.180705638e+02 2.575723147e+01 6.551251981e+01 1.076639474e+02 3.233261332e+01 6.318173052e+01 1.54 1.118372203e+02 5.620454319e+01 9.307628740e+01 1.108294817e+02 1.098190721e+02 2.336692884e+01 6.041712738e+01 1.000250775e+02 2.904277755e+01 5.758918780e+01 1.56 1.040056043e+02 5.131443063e+01 8.695086423e+01 1.030960729e+02 1.021558396e+02 2.120694851e+01 5.553603766e+01 9.287387764e+01 2.603252788e+01 5.243139965e+01 1.58 9.663698640e+01 4.676444264e+01 8.120906242e+01 9.586558036e+01 9.505659103e+01 1.921052652e+01 5.084144645e+01 8.617670186e+01 2.331185367e+01 4.773847442e+01 1.60 8.973831641e+01 4.257405897e+01 7.583626303e+01 8.913923294e+01 8.851068064e+01 1.737327884e+01 4.630075157e+01 7.992452744e+01 2.087545478e+01 4.347405402e+01 1.62 8.328131940e+01 3.875466087e+01 7.081900808e+01 8.288879915e+01 8.247575145e+01 1.569036409e+01 4.196033883e+01 7.406951216e+01 1.868537721e+01 3.951560678e+01 1.64 7.728156335e+01 3.530883466e+01 6.614152858e+01 7.711191287e+01 7.693026026e+01 1.415519718e+01 3.786427089e+01 6.861857231e+01 1.670245375e+01 3.587473461e+01 1.66 7.168501594e+01 3.220390723e+01 6.174561219e+01 7.172047965e+01 7.175011679e+01 1.275955546e+01 3.404889192e+01 6.354672347e+01 1.491354826e+01 3.253727578e+01 1.68 6.645484102e+01 2.938372616e+01 5.758915404e+01 6.667373526e+01 6.688944563e+01 1.149377836e+01 3.054223993e+01 5.880098126e+01 1.329544844e+01 2.949233749e+01 1.70 6.160507020e+01 2.682454624e+01 5.364857484e+01 6.197786813e+01 6.234668390e+01 1.033451160e+01 2.735678754e+01 5.438869802e+01 1.182003527e+01 2.674555525e+01 1.72 5.714092643e+01 2.446235578e+01 4.988173567e+01 5.762835382e+01 5.810781677e+01 9.252684973e+00 2.445089135e+01 5.031427809e+01 1.047017507e+01 2.429423858e+01 1.74 5.305638983e+01 2.226979843e+01 4.616303717e+01 5.358214417e+01 5.409297308e+01 8.212413026e+00 2.181695536e+01 4.656107614e+01 9.234018579e+00 2.212553066e+01 1.76 4.923565590e+01 2.021435955e+01 4.249509094e+01 4.974924322e+01 5.023949797e+01 7.211767088e+00 1.946214844e+01 4.305102715e+01 8.100728691e+00 2.013251330e+01 1.78 4.562195631e+01 1.823351873e+01 3.891434764e+01 4.609368374e+01 4.653326080e+01 6.257455474e+00 1.737203703e+01 3.976421285e+01 7.046350240e+00 1.826044735e+01 1.80 4.222083685e+01 1.632665511e+01 3.545455989e+01 4.262588254e+01 4.298996598e+01 5.355413506e+00 1.550201462e+01 3.670173952e+01 6.059578907e+00 1.650916585e+01 1.82 3.903563925e+01 1.450607171e+01 3.214590366e+01 3.935420675e+01 3.962340616e+01 4.510415916e+00 1.381415346e+01 3.386181058e+01 5.139263827e+00 1.487764051e+01 1.84 3.606728015e+01 1.276712616e+01 2.901443813e+01 3.628465944e+01 3.644504265e+01 3.725819892e+00 1.229859996e+01 3.121226505e+01 4.280829942e+00 1.336390972e+01 1.86 3.331410114e+01 1.111182030e+01 2.608181136e+01 3.342066478e+01 3.346371310e+01 3.003439269e+00 1.093709333e+01 2.873255489e+01 3.478096294e+00 1.196504459e+01 1.88 3.077179280e+01 9.552664813e+00 2.336510558e+01 3.076293521e+01 3.068542861e+01 2.343543118e+00 9.681816843e+00 2.641723252e+01 2.731300182e+00 1.067715091e+01 1.90 2.842423386e+01 8.098981601e+00 2.087672203e+01 2.830132212e+01 2.810628008e+01 1.744965899e+00 8.514442668e+00 2.419158256e+01 2.040306743e+00 9.493188733e+00 1.92 2.617252655e+01 6.752906251e+00 1.862423587e+01 2.595207442e+01 2.565833996e+01 1.205310761e+00 7.432229129e+00 2.202373542e+01 1.404433043e+00 8.386087278e+00 1.94 2.400205397e+01 5.518808658e+00 1.661020424e+01 2.370493134e+01 2.333578912e+01 7.212219079e-01 6.432007578e+00 1.992966299e+01 8.224500307e-01 7.349301624e+00 1.96 2.190100354e+01 4.391509571e+00 1.481676588e+01 2.155449427e+01 2.113895592e+01 2.886961739e-01 5.510193690e+00 1.791691965e+01 2.926155206e-01 6.373287566e+00 1.98 1.985087048e+01 3.361623264e+00 1.321747841e+01 1.948915091e+01 1.906223984e+01 -9.660113289e-02 4.662816766e+00 1.598926206e+01 -1.872688451e-01 5.446213263e+00 2.00 1.786791237e+01 2.430653202e+00 1.180541878e+01 1.752182394e+01 1.711527595e+01 -4.390530289e-01 3.885564713e+00 1.415978430e+01 -6.197840038e-01 4.569988871e+00 2.02 1.596688282e+01 1.598198547e+00 1.056165392e+01 1.566243291e+01 1.530319474e+01 -7.433516508e-01 3.167667160e+00 1.243927307e+01 -1.009701533e+00 3.746179893e+00 2.04 1.416045547e+01 8.620184360e-01 9.429799599e+00 1.391249430e+01 1.361625379e+01 -1.015236824e+00 2.492589190e+00 1.083602720e+01 -1.367961004e+00 2.975823010e+00 2.06 1.245904755e+01 2.182300711e-01 8.339813977e+00 1.226198230e+01 1.202355447e+01 -1.261609229e+00 1.856673276e+00 9.355848833e+00 -1.695697477e+00 2.259384845e+00 2.08 1.087074870e+01 -3.390515900e-01 7.288758867e+00 1.071650462e+01 1.052804152e+01 -1.481348242e+00 1.259419906e+00 8.002095974e+00 -1.993738424e+00 1.596754539e+00 2.10 9.401327110e+00 -8.343411114e-01 6.281216808e+00 9.281772019e+00 9.135172962e+00 -1.672871670e+00 7.002749246e-01 6.775779362e+00 -2.262768920e+00 9.872640044e-01 2.12 8.054288280e+00 -1.280133024e+00 5.321284912e+00 7.961498101e+00 7.848622263e+00 -1.835286160e+00 1.785945145e-01 5.675694751e+00 -2.503486114e+00 4.297291511e-01 2.14 6.830967929e+00 -1.679547787e+00 4.412412101e+00 6.757444160e+00 6.670288010e+00 -1.968561420e+00 -3.063775158e-01 4.698587341e+00 -2.717037293e+00 -7.749450014e-02 2.16 5.730649079e+00 -2.036263373e+00 3.557286630e+00 5.669482651e+00 5.600328267e+00 -2.073650900e+00 -7.555217217e-01 3.838488217e+00 -2.904951402e+00 -5.364479587e-01 2.18 4.750699584e+00 -2.359834849e+00 2.757771789e+00 4.695677955e+00 4.637219120e+00 -2.152551666e+00 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