# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2007--Mendelev-M-I-Han-S-Son-W-et-al--V-Fe # implementation = 2007--Mendelev-M-I--V-Fe--LAMMPS--ipr1 # composition = Fe # 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 7.218845373e+04 nan 0.70 nan nan nan nan nan nan nan nan 6.451615892e+04 nan 0.72 nan nan nan nan nan nan nan nan 5.767551465e+04 nan 0.74 nan nan nan nan nan 4.242016125e+04 nan nan 5.155676444e+04 nan 0.76 nan nan nan nan nan 3.769185271e+04 nan nan 4.606807266e+04 nan 0.78 nan nan nan nan nan 3.344893628e+04 nan nan 4.113522419e+04 nan 0.80 nan nan nan nan nan 2.963009449e+04 nan nan 3.669576752e+04 nan 0.82 nan nan nan nan nan 2.617943723e+04 nan nan 3.269359893e+04 nan 0.84 nan nan nan 7.219626758e+04 7.218911554e+04 2.305161833e+04 nan nan 2.907843906e+04 4.532246389e+04 0.86 nan 4.083987017e+04 nan 6.590936443e+04 6.590067441e+04 2.020630900e+04 4.173017558e+04 nan 2.580592335e+04 4.087697237e+04 0.88 nan 3.681781393e+04 nan 6.019301797e+04 6.018520364e+04 1.761232996e+04 3.762805125e+04 nan 2.283615944e+04 3.683768831e+04 0.90 nan 3.314527462e+04 nan 5.498086331e+04 5.497579785e+04 1.524637809e+04 3.388887239e+04 nan 2.013246279e+04 3.316571043e+04 0.92 nan 2.978584680e+04 nan 5.021417147e+04 5.021316084e+04 1.308623516e+04 3.047830500e+04 nan 1.766309744e+04 2.982326536e+04 0.94 nan 2.671034595e+04 nan 4.584520078e+04 4.584841243e+04 1.111060135e+04 2.736387083e+04 nan 1.540233158e+04 2.677474464e+04 0.96 4.182976992e+04 2.389256300e+04 3.685664288e+04 4.183493430e+04 4.184162647e+04 9.298722952e+03 2.451521633e+04 3.831443109e+04 1.332826189e+04 2.398791638e+04 0.98 3.814007225e+04 2.130851139e+04 3.346679531e+04 3.814820223e+04 3.815729498e+04 7.632905725e+03 2.190625480e+04 3.483966624e+04 1.142175636e+04 2.143260790e+04 1.00 3.474400314e+04 1.893633157e+04 3.034135473e+04 3.475375246e+04 3.476357036e+04 6.100264549e+03 1.951406667e+04 3.164210192e+04 9.665727778e+03 1.908139610e+04 1.02 3.161461260e+04 1.675458393e+04 2.745793927e+04 3.162361781e+04 3.163202806e+04 4.692577176e+03 1.731653033e+04 2.869570868e+04 8.045274148e+03 1.691312248e+04 1.04 2.872707903e+04 1.474332359e+04 2.479581690e+04 2.873337250e+04 2.873866177e+04 3.554291353e+03 1.529286501e+04 2.597693611e+04 6.547617618e+03 1.490959695e+04 1.06 2.605910924e+04 1.288533430e+04 2.233755541e+04 2.606149783e+04 2.606284945e+04 2.704426220e+03 1.342399563e+04 2.346532106e+04 5.161694217e+03 1.305491042e+04 1.08 2.358933544e+04 1.116596864e+04 2.006748014e+04 2.358761401e+04 2.358511831e+04 2.068317214e+03 1.169389941e+04 2.114160629e+04 3.947177100e+03 1.133387788e+04 1.10 2.129903526e+04 9.573483487e+03 1.797023582e+04 2.129393660e+04 2.128846049e+04 1.590736645e+03 1.008839798e+04 1.898882073e+04 3.021410052e+03 9.733613990e+03 1.12 1.917425381e+04 8.097988532e+03 1.603096607e+04 1.916645007e+04 1.915889778e+04 1.230796405e+03 8.594703303e+03 1.699288504e+04 2.319033626e+03 8.244509648e+03 1.14 1.720204134e+04 6.729791056e+03 1.423617077e+04 1.719234377e+04 1.718370064e+04 9.583287670e+02 7.202180996e+03 1.514042483e+04 1.785093782e+03 6.857495947e+03 1.16 1.536943665e+04 5.459312530e+03 1.257301202e+04 1.535915539e+04 1.535052145e+04 7.510595131e+02 5.901604134e+03 1.341869024e+04 1.378369821e+03 5.564907502e+03 1.18 1.366369811e+04 4.299556097e+03 1.102910403e+04 1.365485234e+04 1.364740856e+04 5.925396245e+02 4.687099431e+03 1.181588828e+04 1.067825074e+03 4.376331549e+03 1.20 1.207386024e+04 3.373955355e+03 9.592531538e+03 1.206816842e+04 1.206300797e+04 4.706081244e+02 3.668696149e+03 1.032230208e+04 8.300844139e+02 3.421843345e+03 1.22 1.059021440e+04 2.653559470e+03 8.251659600e+03 1.058860177e+04 1.058656285e+04 3.762033233e+02 2.875634873e+03 8.929380677e+03 6.475814612e+02 2.681102190e+03 1.24 9.204890615e+03 2.091018001e+03 6.996268183e+03 9.207263568e+03 9.208501095e+03 3.025814009e+02 2.257154644e+03 7.629446071e+03 5.070551355e+02 2.105349635e+03 1.26 7.910818068e+03 1.650291880e+03 5.817793844e+03 7.916113562e+03 7.920008214e+03 2.447500077e+02 1.774313778e+03 6.415195216e+03 3.985122887e+02 1.657100721e+03 1.28 6.701024721e+03 1.303943690e+03 4.710461208e+03 6.707893358e+03 6.713455293e+03 1.989938668e+02 1.397032437e+03 5.279782040e+03 3.144167985e+02 1.307413532e+03 1.30 5.568969285e+03 1.031053415e+03 3.764877592e+03 5.576213254e+03 5.582547208e+03 1.625965533e+02 1.101937153e+03 4.243198917e+03 2.490450947e+02 1.034077282e+03 1.32 4.515183277e+03 8.157335708e+02 3.012895219e+03 4.521463455e+03 4.527507186e+03 1.335084942e+02 8.708170411e+02 3.405141355e+03 1.980570180e+02 8.199668137e+02 1.34 3.637520251e+03 6.456490803e+02 2.414267755e+03 3.641770855e+03 3.646373082e+03 1.101490756e+02 6.895328391e+02 2.736618186e+03 1.581514068e+02 6.518176886e+02 1.36 2.935162793e+03 5.111760743e+02 1.937109077e+03 2.937613247e+03 2.940705254e+03 9.129488953e+01 5.471131877e+02 2.201694624e+03 1.268131901e+02 5.194271034e+02 1.38 2.371206330e+03 4.048017976e+02 1.556167754e+03 2.372278252e+03 2.374039960e+03 7.598363782e+01 4.350279642e+02 1.772605079e+03 1.021152270e+02 4.149247584e+02 1.40 1.916828650e+03 3.206288713e+02 1.251470826e+03 1.917077055e+03 1.917879757e+03 6.345953925e+01 3.466660210e+02 1.427851292e+03 8.254526073e+01 3.322013275e+02 1.42 1.550140473e+03 2.540190686e+02 1.007273256e+03 1.550030724e+03 1.550228468e+03 5.313449582e+01 2.768506589e+02 1.150727358e+03 6.695307280e+01 2.665715296e+02 1.44 1.254195043e+03 2.013074556e+02 8.112631099e+02 1.253964298e+03 1.253800811e+03 4.456276792e+01 2.215535289e+02 9.279250916e+02 5.446243946e+01 2.144320020e+02 1.46 1.015316661e+03 1.595818997e+02 6.536938339e+02 1.015039418e+03 1.014672823e+03 3.740500234e+01 1.776585091e+02 7.487323947e+02 4.440457832e+01 1.729332080e+02 1.48 8.224153963e+02 1.265348446e+02 5.268200728e+02 8.220967302e+02 8.216280253e+02 3.139736944e+01 1.427385985e+02 6.045172748e+02 3.626581912e+01 1.397890608e+02 1.50 6.665527209e+02 1.003407553e+02 4.245725714e+02 6.662052209e+02 6.657067994e+02 2.633750886e+01 1.149100870e+02 4.883573344e+02 2.964988654e+01 1.132399470e+02 1.52 5.405410985e+02 7.956425553e+01 3.421948400e+02 5.401843154e+02 5.397077840e+02 2.207005321e+01 9.269666554e+01 3.947106508e+02 2.424619337e+01 9.192375314e+01 1.54 4.385925795e+02 6.307197545e+01 2.758539709e+02 4.382462929e+02 4.378251573e+02 1.846899958e+01 7.492358325e+01 3.191367887e+02 1.981081404e+01 7.477062208e+01 1.56 3.560419172e+02 4.996937454e+01 2.224427603e+02 3.557254979e+02 3.553809612e+02 1.542870625e+01 6.065901681e+01 2.580928943e+02 1.615034507e+01 6.093582558e+01 1.58 2.891288907e+02 3.955405001e+01 1.794455630e+02 2.888655565e+02 2.886102577e+02 1.285975396e+01 4.916626948e+01 2.087468751e+02 1.311447230e+01 4.974906483e+01 1.60 2.348219481e+02 3.127490795e+01 1.448240449e+02 2.346376623e+02 2.344763691e+02 1.068465674e+01 3.986717780e+01 1.688318885e+02 1.058579310e+01 4.066833240e+01 1.62 1.907161017e+02 2.469426091e+01 1.169306896e+02 1.906211425e+02 1.905480162e+02 8.838376194e+00 3.231446036e+01 1.365334740e+02 8.471611554e+00 3.326243594e+01 1.64 1.548857715e+02 1.946130343e+01 9.443895614e+01 1.548720155e+02 1.548726891e+02 7.267839178e+00 2.615646456e+01 1.103939567e+02 6.699642270e+00 2.719013336e+01 1.66 1.257691763e+02 1.529497050e+01 7.628857688e+01 1.258211317e+02 1.258800208e+02 5.928271204e+00 2.110947412e+01 8.923631712e+01 5.212411675e+00 2.218829877e+01 1.68 1.021007307e+02 1.197178375e+01 6.162898774e+01 1.022007000e+02 1.023033996e+02 4.781523217e+00 1.695504487e+01 7.210832993e+01 3.960345554e+00 1.805285509e+01 1.70 8.285304767e+01 9.300137193e+00 4.977775405e+01 8.298455641e+01 8.311745819e+01 3.794880557e+00 1.352824689e+01 5.823850135e+01 2.896629791e+00 1.462026112e+01 1.72 6.719670920e+01 7.139460131e+00 4.018495720e+01 6.734554552e+01 6.749530185e+01 2.940689191e+00 1.069637758e+01 4.700658881e+01 1.988474410e+00 1.176168841e+01 1.74 5.446714474e+01 5.383755202e+00 3.240484947e+01 5.462003740e+01 5.477331519e+01 2.195978826e+00 8.352207285e+00 3.791262297e+01 1.210116756e+00 9.377974651e+00 1.76 4.412272723e+01 3.949069855e+00 2.608321289e+01 4.426804511e+01 4.441317853e+01 1.545014159e+00 6.410001652e+00 3.054806275e+01 5.416639408e-01 7.389659584e+00 1.78 3.571769326e+01 2.768961058e+00 2.093679375e+01 3.584618349e+01 3.597409474e+01 9.761830064e-01 4.800193135e+00 2.458058213e+01 -3.137511074e-02 5.730032433e+00 1.80 2.888686634e+01 1.793857182e+00 1.672618354e+01 2.899245108e+01 2.909736278e+01 4.800598107e-01 3.462716193e+00 1.973979112e+01 -5.203907257e-01 4.342520714e+00 1.82 2.333098299e+01 9.847384893e-01 1.326878118e+01 2.341067715e+01 2.348982220e+01 4.903555886e-02 2.348436261e+00 1.580603483e+01 -9.364160436e-01 3.179066191e+00 1.84 1.880566716e+01 3.057696636e-01 1.042516810e+01 1.885883536e+01 1.891168499e+01 -3.228927345e-01 1.417399843e+00 1.259967811e+01 -1.290181941e+00 2.199294765e+00 1.86 1.511181547e+01 -2.828950621e-01 8.084684591e+00 1.513952704e+01 1.516715171e+01 -6.409028480e-01 6.371096421e-01 9.975684680e+00 -1.591079880e+00 1.369849080e+00 1.88 1.208699148e+01 -8.024729769e-01 6.157481499e+00 1.209180417e+01 1.209667597e+01 -9.109737137e-01 -1.789069053e-02 7.817858223e+00 -1.847522068e+00 6.642693178e-01 1.90 9.598391244e+00 -1.265185863e+00 4.571213475e+00 9.584199036e+00 9.570115163e+00 -1.138687999e+00 -5.683886731e-01 6.032773056e+00 -2.065899922e+00 6.063330804e-02 1.92 7.539658319e+00 -1.677426748e+00 3.268028078e+00 7.511083233e+00 7.482611690e+00 -1.329038606e+00 -1.031582647e+00 4.548494222e+00 -2.250496026e+00 -4.582177927e-01 1.94 5.828334110e+00 -2.042474097e+00 2.198501743e+00 5.790209294e+00 5.752164965e+00 -1.486439407e+00 -1.421822030e+00 3.308806273e+00 -2.404846047e+00 -9.053224957e-01 1.96 4.399657426e+00 -2.361717305e+00 1.319296071e+00 4.356473289e+00 4.313336701e+00 -1.615639817e+00 -1.754311742e+00 2.268669704e+00 -2.532247492e+00 -1.291242836e+00 1.98 3.201436646e+00 -2.635463076e+00 5.925694966e-01 3.156894510e+00 3.112361948e+00 -1.722094045e+00 -2.038395986e+00 1.392167593e+00 -2.635707707e+00 -1.624747467e+00 2.00 2.191794025e+00 -2.866520068e+00 -1.343118220e-02 2.148810264e+00 2.105803551e+00 -1.810971212e+00 -2.280770889e+00 6.474412094e-01 -2.718078358e+00 -1.912940099e+00 2.02 1.337416467e+00 -3.060493425e+00 -5.240477487e-01 1.298119093e+00 1.258781497e+00 -1.887131310e+00 -2.486999779e+00 -1.851643594e-03 -2.781985224e+00 -2.161192305e+00 2.04 6.117901719e-01 -3.222751536e+00 -9.583263222e-01 5.776127797e-01 5.433925059e-01 -1.954680323e+00 -2.661232455e+00 -5.708313792e-01 -2.830327362e+00 -2.373690531e+00 2.06 -9.910828106e-03 -3.358801838e+00 -1.332403337e+00 -3.800752707e-02 -6.613998722e-02 -2.016577380e+00 -2.807428614e+00 -1.070020101e+00 -2.866359611e+00 -2.555625451e+00 2.08 -5.643355445e-01 -3.475908777e+00 -1.670217856e+00 -5.857940325e-01 -6.072762230e-01 -2.080444802e+00 -2.935074380e+00 -1.512683546e+00 -2.897011661e+00 -2.719583181e+00 2.10 -1.061497090e+00 -3.576814253e+00 -1.978380136e+00 -1.076154302e+00 -1.090823060e+00 -2.146058816e+00 -3.046631650e+00 -1.902761133e+00 -2.923592834e+00 -2.866014870e+00 2.12 -1.504720137e+00 -3.663220547e+00 -2.259384746e+00 -1.512815376e+00 -1.520914355e+00 -2.211800211e+00 -3.143366891e+00 -2.241273892e+00 -2.946406004e+00 -2.992998188e+00 2.14 -1.895311728e+00 -3.736437155e+00 -2.514519388e+00 -1.897525645e+00 -1.899740160e+00 -2.276036063e+00 -3.226297794e+00 -2.528776684e+00 -2.965529304e+00 -3.098684512e+00 2.16 -2.234498077e+00 -3.796982141e+00 -2.744278834e+00 -2.231842699e+00 -2.229187323e+00 -2.337117397e+00 -3.296305078e+00 -2.768441069e+00 -2.980744297e+00 -3.182605637e+00 2.18 -2.524432732e+00 -3.845234968e+00 -2.948612963e+00 -2.518000285e+00 -2.511567837e+00 -2.393374044e+00 -3.354212413e+00 -2.966348308e+00 -2.991812057e+00 -3.245176944e+00 2.20 -2.766588082e+00 -3.881577529e+00 -3.127339783e+00 -2.757510351e+00 -2.748432620e+00 -2.443110722e+00 -3.400404976e+00 -3.128308730e+00 -2.998427692e+00 -3.286804323e+00 2.22 -2.962999106e+00 -3.906522858e+00 -3.280593979e+00 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