# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Kinaci-A-Haskins-J-B-Sevik-C-Cagin-T--B-N-C # implementation = 2012--Kinaci-A--B-N-C--LAMMPS--ipr1 # composition = C # 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 1.552502212e+03 nan nan 1.825070846e+03 nan 0.52 nan nan nan nan nan 1.349995601e+03 nan nan 1.583193933e+03 nan 0.54 nan 1.943378161e+03 nan nan nan 1.175165468e+03 1.980792746e+03 nan 1.377322558e+03 1.949649134e+03 0.56 nan 1.701215254e+03 nan nan nan 1.023573906e+03 1.736265005e+03 nan 1.199987810e+03 1.710866993e+03 0.58 nan 1.495262951e+03 2.045667456e+03 nan nan 8.939713101e+02 1.528346581e+03 2.115933513e+03 1.047684745e+03 1.508118290e+03 0.60 2.013283421e+03 1.319246859e+03 1.810360189e+03 2.011228010e+03 2.012722242e+03 7.839947761e+02 1.350299185e+03 1.876039543e+03 9.173350373e+02 1.330197681e+03 0.62 1.790161224e+03 1.166332373e+03 1.613635450e+03 1.786884093e+03 1.785799561e+03 6.911834157e+02 1.195106158e+03 1.665938643e+03 8.069590526e+02 1.172590574e+03 0.64 1.593377081e+03 1.033994307e+03 1.439729431e+03 1.591737233e+03 1.588913816e+03 6.104879648e+02 1.055701997e+03 1.482568520e+03 7.124164081e+02 1.034524647e+03 0.66 1.421870599e+03 9.171389320e+02 1.283151491e+03 1.421865156e+03 1.419143403e+03 5.371233050e+02 9.316004229e+02 1.324001671e+03 6.316571879e+02 9.143413873e+02 0.68 1.274609025e+03 8.139880113e+02 1.143873983e+03 1.274895327e+03 1.274015739e+03 4.703584825e+02 8.240151479e+02 1.185411564e+03 5.614012503e+02 8.115506259e+02 0.70 1.144168919e+03 7.214458624e+02 1.024106935e+03 1.144086219e+03 1.145152982e+03 4.127816530e+02 7.322816581e+02 1.059717493e+03 4.979413470e+02 7.246750384e+02 0.72 1.024458505e+03 6.385692251e+02 9.186882913e+02 1.025218390e+03 1.027489773e+03 3.646047730e+02 6.545239615e+02 9.457183765e+02 4.405826740e+02 6.508543834e+02 0.74 9.157305119e+02 5.667419341e+02 8.217640015e+02 9.178870126e+02 9.204949212e+02 3.237010115e+02 5.869415818e+02 8.440252259e+02 3.893792089e+02 5.864498140e+02 0.76 8.192093306e+02 5.065767887e+02 7.333808312e+02 8.218670742e+02 8.241431832e+02 2.883429279e+02 5.267125254e+02 7.559721519e+02 3.438804933e+02 5.271514516e+02 0.78 7.360211885e+02 4.563884577e+02 6.537742499e+02 7.377917953e+02 7.387618470e+02 2.562261029e+02 4.732248858e+02 6.812166419e+02 3.039766088e+02 4.715943959e+02 0.80 6.668326257e+02 4.114561871e+02 5.843916786e+02 6.658821984e+02 6.647387880e+02 2.273417533e+02 4.256659922e+02 6.160968486e+02 2.688748100e+02 4.209783636e+02 0.82 6.051255438e+02 3.688549019e+02 5.262365526e+02 6.023181464e+02 5.997460693e+02 2.018506158e+02 3.832659751e+02 5.567865280e+02 2.374875130e+02 3.752213019e+02 0.84 5.471270094e+02 3.288345889e+02 4.771010673e+02 5.441417941e+02 5.412521313e+02 1.801864281e+02 3.447845138e+02 5.022235641e+02 2.091142189e+02 3.330783749e+02 0.86 4.937725677e+02 2.923116968e+02 4.334767653e+02 4.914301642e+02 4.890878389e+02 1.611738958e+02 3.085355684e+02 4.526961537e+02 1.842456630e+02 2.958246044e+02 0.88 4.453052687e+02 2.600540551e+02 3.942768474e+02 4.441988284e+02 4.430923628e+02 1.444224165e+02 2.742188663e+02 4.082985710e+02 1.630672877e+02 2.625675949e+02 0.90 4.020376234e+02 2.326363165e+02 3.592642959e+02 4.023080273e+02 4.025786242e+02 1.299585505e+02 2.421472723e+02 3.686659496e+02 1.449237991e+02 2.329294006e+02 0.92 3.637082529e+02 2.094169189e+02 3.275303764e+02 3.650026527e+02 3.662976246e+02 1.175376383e+02 2.132613834e+02 3.330882898e+02 1.293554244e+02 2.073352993e+02 0.94 3.300125846e+02 1.888856893e+02 2.980336105e+02 3.319445976e+02 3.338772892e+02 1.064052215e+02 1.877459394e+02 3.015397703e+02 1.159803688e+02 1.861605882e+02 0.96 2.997421905e+02 1.702262238e+02 2.696160106e+02 3.018293264e+02 3.039170112e+02 9.579006221e+01 1.659042450e+02 2.731383996e+02 1.042667825e+02 1.679050421e+02 0.98 2.719138733e+02 1.527478224e+02 2.417399607e+02 2.737026028e+02 2.754917161e+02 8.530797032e+01 1.475285229e+02 2.474873113e+02 9.346319150e+01 1.511551125e+02 1.00 2.467411415e+02 1.360335415e+02 2.152257295e+02 2.478892961e+02 2.490376462e+02 7.526022565e+01 1.320577792e+02 2.247080899e+02 8.350362258e+01 1.360274298e+02 1.02 2.243527279e+02 1.201329327e+02 1.907165090e+02 2.246349765e+02 2.249172230e+02 6.589097991e+01 1.188427483e+02 2.043655134e+02 7.432110818e+01 1.226025390e+02 1.04 2.047498281e+02 1.051961409e+02 1.687723963e+02 2.040782740e+02 2.034065335e+02 5.740507562e+01 1.069183828e+02 1.855438554e+02 6.585636189e+01 1.108902338e+02 1.06 1.865677098e+02 9.142667720e+01 1.499299873e+02 1.851761929e+02 1.837843920e+02 5.001856203e+01 9.630210171e+01 1.671077796e+02 5.821331984e+01 1.003459480e+02 1.08 1.684031098e+02 7.867898420e+01 1.342357513e+02 1.668515611e+02 1.652997726e+02 4.397491537e+01 8.698004069e+01 1.491602277e+02 5.146887250e+01 9.023558976e+01 1.10 1.506253337e+02 6.733778317e+01 1.219486952e+02 1.494543414e+02 1.482832506e+02 3.941332579e+01 7.880938411e+01 1.320668948e+02 4.559387817e+01 8.062623962e+01 1.12 1.336275919e+02 5.804305140e+01 1.110722538e+02 1.330048973e+02 1.323822205e+02 3.531631920e+01 7.121688502e+01 1.161508457e+02 4.030906293e+01 7.164814411e+01 1.14 1.177086703e+02 5.068773542e+01 1.002417727e+02 1.175743850e+02 1.174401563e+02 3.095151654e+01 6.404661624e+01 1.017513692e+02 3.534355790e+01 6.341896541e+01 1.16 1.031656098e+02 4.449800085e+01 8.965144605e+01 1.034503839e+02 1.037351852e+02 2.646969784e+01 5.733903279e+01 8.936403463e+01 3.077231407e+01 5.605016420e+01 1.18 9.045265681e+01 3.938921086e+01 7.947486976e+01 9.103615147e+01 9.161961464e+01 2.194645941e+01 5.113287891e+01 7.936853000e+01 2.663529316e+01 4.964431407e+01 1.20 8.023030719e+01 3.491806402e+01 6.986359454e+01 8.088189902e+01 8.153341882e+01 1.734703383e+01 4.546238399e+01 7.157527869e+01 2.283624898e+01 4.426775391e+01 1.22 7.281343843e+01 3.104583548e+01 6.097601996e+01 7.324860491e+01 7.368371070e+01 1.251573076e+01 4.035522718e+01 6.509123171e+01 1.932746717e+01 3.986377684e+01 1.24 6.642325272e+01 2.756829690e+01 5.301887664e+01 6.663537795e+01 6.684746877e+01 7.252910395e+00 3.577827443e+01 5.900468212e+01 1.598293652e+01 3.595044161e+01 1.26 6.054248087e+01 2.441056000e+01 4.625959230e+01 6.060901004e+01 6.067552697e+01 1.742268129e+00 3.145153974e+01 5.331709457e+01 1.288557771e+01 3.238314301e+01 1.28 5.510729296e+01 2.154547347e+01 4.094294571e+01 5.511076463e+01 5.511423559e+01 -2.269989928e+00 2.740280193e+01 4.801633671e+01 1.012341563e+01 2.909670311e+01 1.30 4.983188020e+01 1.894810301e+01 3.685419091e+01 4.983214913e+01 4.983241807e+01 -3.154143928e+00 2.360270296e+01 4.294215272e+01 7.720835743e+00 2.571292111e+01 1.32 4.468985712e+01 1.659555389e+01 3.315341976e+01 4.469038833e+01 4.469091953e+01 -3.738922830e+00 1.999100972e+01 3.809476164e+01 5.436943713e+00 2.223673720e+01 1.34 3.973593674e+01 1.446680765e+01 2.976398040e+01 3.973670765e+01 3.973747855e+01 -4.249796560e+00 1.661820370e+01 3.352523551e+01 3.277044426e+00 1.877464742e+01 1.36 3.502024769e+01 1.254257171e+01 2.666154129e+01 3.502113499e+01 3.502202228e+01 -4.693237938e+00 1.353356738e+01 2.928202553e+01 1.331940269e+00 1.539953180e+01 1.38 3.059046388e+01 1.080514087e+01 2.382360514e+01 3.059127201e+01 3.059208015e+01 -5.075219034e+00 1.079918086e+01 2.541246413e+01 -2.340282121e-01 1.214532065e+01 1.40 2.649632247e+01 9.238269841e+00 2.122937327e+01 2.649683726e+01 2.649735205e+01 -5.401247701e+00 8.497205307e+00 2.196241595e+01 -1.227969811e+00 9.014323954e+00 1.42 2.279366415e+01 7.827055818e+00 1.885961969e+01 2.279372241e+01 2.279378067e+01 -5.676401530e+00 6.712517764e+00 1.890988124e+01 -1.714693529e+00 6.009597841e+00 1.44 1.954312564e+01 6.557830438e+00 1.669657463e+01 1.954268156e+01 1.954223748e+01 -5.905359403e+00 5.472875342e+00 1.622461310e+01 -2.118979661e+00 3.209878490e+00 1.46 1.679855650e+01 5.418060265e+00 1.472381645e+01 1.679771571e+01 1.679687492e+01 -6.092430805e+00 4.413903098e+00 1.392795248e+01 -2.469910721e+00 8.753193200e-01 1.48 1.458539515e+01 4.378001439e+00 1.292617158e+01 1.458438996e+01 1.458338478e+01 -6.241583055e+00 3.361290443e+00 1.202172916e+01 -2.789821815e+00 -5.623183474e-01 1.50 1.278952982e+01 3.341304000e+00 1.128962180e+01 1.278855993e+01 1.278759004e+01 -6.356466606e+00 2.330640866e+00 1.042525281e+01 -3.104117645e+00 -1.148164020e+00 1.52 1.115895802e+01 2.323496666e+00 9.801218273e+00 1.115803010e+01 1.115710218e+01 -6.440438537e+00 1.332391932e+00 8.978006976e+00 -3.399233841e+00 -1.637038946e+00 1.54 9.671524152e+00 1.353175370e+00 8.449001969e+00 9.670636387e+00 9.669748622e+00 -6.496584372e+00 3.732492791e-01 7.662399809e+00 -3.662605263e+00 -2.068469939e+00 1.56 8.316143823e+00 4.514255400e-01 7.221691695e+00 8.315294475e+00 8.314445126e+00 -6.527738342e+00 -5.410535823e-01 6.467967602e+00 -3.884602238e+00 -2.447387952e+00 1.58 7.082541817e+00 -3.696512494e-01 6.037147783e+00 7.081729224e+00 7.080916630e+00 -6.536502194e+00 -1.401742536e+00 5.385028177e+00 -4.059245135e+00 -2.778345801e+00 1.60 5.961194872e+00 -1.106678509e+00 4.854909053e+00 5.960417443e+00 5.959640013e+00 -6.525262650e+00 -2.192412123e+00 4.404624415e+00 -4.184474967e+00 -3.065545631e+00 1.62 4.943278433e+00 -1.768614752e+00 3.700787010e+00 4.942534645e+00 4.941790858e+00 -6.496207619e+00 -2.885693088e+00 3.518471802e+00 -4.262061198e+00 -3.312864443e+00 1.64 4.020617102e+00 -2.380141878e+00 2.595922396e+00 4.019905502e+00 4.019193901e+00 -6.451341233e+00 -3.444476542e+00 2.718909690e+00 -4.297233941e+00 -3.523877825e+00 1.66 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-4.066922524e+00 -4.195039428e+00 1.78 -3.411656099e-01 -3.434178846e+00 -2.802350122e+00 -3.416877059e-01 -3.422098018e-01 -5.830317277e+00 -4.300315715e+00 -1.096313227e+00 -3.999664775e+00 -4.230970901e+00 1.80 -7.320293520e-01 -3.379167753e+00 -3.112914269e+00 -7.325288549e-01 -7.330283578e-01 -5.713226553e+00 -4.316538339e+00 -1.550282457e+00 -3.927991016e+00 -4.250694469e+00 1.82 -1.134470359e+00 -3.331925982e+00 -3.293542160e+00 -1.134944285e+00 -1.135418212e+00 -5.555255410e+00 -4.307714794e+00 -1.992528776e+00 -3.829365864e+00 -4.249181696e+00 1.84 -1.577595564e+00 -3.264795064e+00 -3.414858134e+00 -1.578037671e+00 -1.578479777e+00 -5.321359616e+00 -4.248703858e+00 -2.400509337e+00 -3.680996781e+00 -4.212703000e+00 1.86 -2.018478056e+00 -3.158854788e+00 -3.505208190e+00 -2.018883179e+00 -2.019288303e+00 -5.014571938e+00 -4.127547313e+00 -2.735559507e+00 -3.483612293e+00 -4.129781516e+00 1.88 -2.415514384e+00 -2.931438063e+00 -3.543276075e+00 -2.415878447e+00 -2.416242510e+00 -4.639452696e+00 -3.935188373e+00 -2.965320987e+00 -3.238931600e+00 -3.989908616e+00 1.90 -2.731182696e+00 -2.549627324e+00 -3.510556227e+00 -2.731502706e+00 -2.731822717e+00 -4.202697868e+00 -3.666623821e+00 -3.065676170e+00 -2.950181147e+00 -3.784871672e+00 1.92 -2.934296874e+00 -2.152896496e+00 -3.392891694e+00 -2.934570935e+00 -2.934844996e+00 -3.713665984e+00 -3.322090843e+00 -3.022232462e+00 -2.622549190e+00 -3.509909156e+00 1.94 -3.001775852e+00 -1.757267697e+00 -3.181752198e+00 -3.002003189e+00 -3.002230525e+00 -3.184791643e+00 -2.908465798e+00 -2.831545527e+00 -2.263560661e+00 -3.164706239e+00 1.96 -2.920022399e+00 -1.377775252e+00 -2.875330203e+00 -2.920203417e+00 -2.920384435e+00 -2.631856874e+00 -2.441114211e+00 -2.502439051e+00 -1.883358779e+00 -2.754278168e+00 1.98 -2.686117624e+00 -1.027855883e+00 -2.479604046e+00 -2.686254030e+00 -2.686390435e+00 -2.074083352e+00 -1.946392337e+00 -2.058068361e+00 -1.494875017e+00 -2.289821900e+00 2.00 -2.309229536e+00 -7.188441429e-01 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