# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti # implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--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 2024-03-01 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 -1.236917285e+03 nan 0.76 nan nan nan nan nan nan nan nan -1.139479542e+03 nan 0.78 nan nan nan nan nan nan nan nan -1.050769976e+03 nan 0.80 nan nan nan nan nan -8.334020485e+02 nan nan -9.709912477e+02 nan 0.82 nan nan nan nan nan -7.701860693e+02 nan nan -9.009035144e+02 nan 0.84 nan nan nan nan nan -7.134426922e+02 nan nan -8.376188554e+02 nan 0.86 nan nan nan nan nan -6.612404624e+02 nan nan -7.780106901e+02 nan 0.88 nan nan nan nan nan -6.122199612e+02 nan nan -7.219657111e+02 nan 0.90 nan -9.087773418e+02 nan -1.306093843e+03 -1.307933782e+03 -5.649013128e+02 nan nan -6.696449825e+02 -9.141554246e+02 0.92 nan -8.478070501e+02 nan -1.220183164e+03 -1.222071542e+03 -5.199850359e+02 -8.639190507e+02 nan -6.206985119e+02 -8.541980825e+02 0.94 nan -7.921596564e+02 nan -1.140137699e+03 -1.141086585e+03 -4.804523922e+02 -8.090294716e+02 nan -5.757307764e+02 -7.993906350e+02 0.96 nan -7.412326315e+02 nan -1.065714871e+03 -1.064986028e+03 -4.461229624e+02 -7.579538622e+02 nan -5.355847123e+02 -7.488440513e+02 0.98 nan -6.949455612e+02 nan -9.981012828e+02 -9.959943164e+02 -4.147551912e+02 -7.110245036e+02 nan -4.999151078e+02 -7.000134652e+02 1.00 nan -6.524704754e+02 nan -9.372832717e+02 -9.349839185e+02 -3.850610052e+02 -6.676065915e+02 nan -4.674357021e+02 -6.524390928e+02 1.02 -8.846992245e+02 -6.128422627e+02 -8.070756104e+02 -8.817275121e+02 -8.800756539e+02 -3.568129969e+02 -6.261953708e+02 -8.301222152e+02 -4.372786757e+02 -6.082505786e+02 1.04 -8.299258162e+02 -5.756834196e+02 -7.587297480e+02 -8.302366656e+02 -8.294274950e+02 -3.302795431e+02 -5.864366385e+02 -7.796099980e+02 -4.090005344e+02 -5.678445841e+02 1.06 -7.800891810e+02 -5.407156513e+02 -7.152476880e+02 -7.827470641e+02 -7.828059683e+02 -3.057290316e+02 -5.483431523e+02 -7.338552151e+02 -3.821073554e+02 -5.308721119e+02 1.08 -7.355448219e+02 -5.078175405e+02 -6.752465156e+02 -7.387563395e+02 -7.394595945e+02 -2.831364280e+02 -5.119637096e+02 -6.926216199e+02 -3.564669088e+02 -4.984409958e+02 1.10 -6.952726176e+02 -4.773627146e+02 -6.379764576e+02 -6.971351066e+02 -6.980386554e+02 -2.625522034e+02 -4.782009822e+02 -6.547550878e+02 -3.322067839e+02 -4.704934183e+02 1.12 -6.580482800e+02 -4.495904371e+02 -6.034869183e+02 -6.576207160e+02 -6.584076322e+02 -2.441823273e+02 -4.483443061e+02 -6.188847227e+02 -3.094209247e+02 -4.450822726e+02 1.14 -6.228023471e+02 -4.239349968e+02 -5.713957318e+02 -6.209304105e+02 -6.214782319e+02 -2.275444126e+02 -4.224448267e+02 -5.844725668e+02 -2.880701978e+02 -4.203843668e+02 1.16 -5.890593341e+02 -3.994787584e+02 -5.411521133e+02 -5.873309663e+02 -5.876646245e+02 -2.115267570e+02 -3.991292791e+02 -5.518984173e+02 -2.679541150e+02 -3.956863533e+02 1.18 -5.568255368e+02 -3.759973185e+02 -5.117810326e+02 -5.562357270e+02 -5.565735557e+02 -1.953751171e+02 -3.770559045e+02 -5.213331680e+02 -2.489354189e+02 -3.715801375e+02 1.20 -5.261426760e+02 -3.538282792e+02 -4.821779249e+02 -5.269285013e+02 -5.275059695e+02 -1.788912172e+02 -3.558168958e+02 -4.924157145e+02 -2.311151173e+02 -3.488596256e+02 1.22 -4.971098721e+02 -3.331075519e+02 -4.526966235e+02 -4.989863190e+02 -4.997649100e+02 -1.624714127e+02 -3.355754799e+02 -4.650183698e+02 -2.147213197e+02 -3.275310689e+02 1.24 -4.698661658e+02 -3.137176554e+02 -4.250035464e+02 -4.721584367e+02 -4.728666164e+02 -1.471386728e+02 -3.164297343e+02 -4.394052127e+02 -1.998888740e+02 -3.070975160e+02 1.26 -4.447156198e+02 -2.953858471e+02 -4.000987306e+02 -4.465450671e+02 -4.469565612e+02 -1.338243845e+02 -2.981690225e+02 -4.158031651e+02 -1.864081843e+02 -2.873030280e+02 1.28 -4.216316058e+02 -2.776071224e+02 -3.777382579e+02 -4.224256379e+02 -4.224923680e+02 -1.226746028e+02 -2.803218587e+02 -3.940736965e+02 -1.737294758e+02 -2.683759845e+02 1.30 -4.002286309e+02 -2.601864071e+02 -3.574431752e+02 -3.999878748e+02 -3.997327120e+02 -1.131469336e+02 -2.626699971e+02 -3.738980210e+02 -1.613771339e+02 -2.509164461e+02 1.32 -3.801572554e+02 -2.434721140e+02 -3.392190087e+02 -3.791317852e+02 -3.785109905e+02 -1.047290446e+02 -2.455086505e+02 -3.549844637e+02 -1.492098247e+02 -2.353303953e+02 1.34 -3.612225772e+02 -2.277163841e+02 -3.229875074e+02 -3.595231841e+02 -3.584481502e+02 -9.721240931e+01 -2.293561184e+02 -3.370312116e+02 -1.373419389e+02 -2.214968253e+02 1.36 -3.430698009e+02 -2.128180994e+02 -3.079989964e+02 -3.408262119e+02 -3.393467009e+02 -9.040868707e+01 -2.146072516e+02 -3.196403281e+02 -1.259828211e+02 -2.087556076e+02 1.38 -3.253876701e+02 -1.987909601e+02 -2.932691519e+02 -3.229258497e+02 -3.213037466e+02 -8.397608367e+01 -2.012758441e+02 -3.025427841e+02 -1.153267687e+02 -1.962819992e+02 1.40 -3.082698413e+02 -1.858092019e+02 -2.783505974e+02 -3.059693342e+02 -3.045511630e+02 -7.758699733e+01 -1.889371332e+02 -2.858037306e+02 -1.053562681e+02 -1.835708679e+02 1.42 -2.919409622e+02 -1.737172103e+02 -2.634616249e+02 -2.900885969e+02 -2.891268065e+02 -7.111120189e+01 -1.770315678e+02 -2.696054144e+02 -9.588756434e+01 -1.706475399e+02 1.44 -2.762416022e+02 -1.620477159e+02 -2.489866646e+02 -2.751809764e+02 -2.747974451e+02 -6.459237675e+01 -1.652646276e+02 -2.540060192e+02 -8.680906843e+01 -1.579789503e+02 1.46 -2.606940284e+02 -1.505573875e+02 -2.350075036e+02 -2.608972848e+02 -2.611320921e+02 -5.816728310e+01 -1.536658248e+02 -2.389770333e+02 -7.813534971e+01 -1.461458078e+02 1.48 -2.452032066e+02 -1.394553055e+02 -2.212699671e+02 -2.469533714e+02 -2.477689457e+02 -5.197403080e+01 -1.423748296e+02 -2.246512416e+02 -6.987819012e+01 -1.354915693e+02 1.50 -2.302817949e+02 -1.290862974e+02 -2.075282596e+02 -2.333324828e+02 -2.346092718e+02 -4.611104471e+01 -1.314714879e+02 -2.112669377e+02 -6.199549281e+01 -1.259035373e+02 1.52 -2.166176157e+02 -1.194686426e+02 -1.936684383e+02 -2.201621232e+02 -2.217074014e+02 -4.053638932e+01 -1.209811678e+02 -1.989388206e+02 -5.447537620e+01 -1.170452365e+02 1.54 -2.044219932e+02 -1.102957512e+02 -1.797833921e+02 -2.075139985e+02 -2.091074942e+02 -3.508594198e+01 -1.109787247e+02 -1.875206563e+02 -4.737127922e+01 -1.086150862e+02 1.56 -1.933335738e+02 -1.012550511e+02 -1.662574633e+02 -1.953661008e+02 -1.968142220e+02 -2.964636152e+01 -1.015989079e+02 -1.767062936e+02 -4.073774295e+01 -1.003812153e+02 1.58 -1.828554435e+02 -9.232284271e+01 -1.537213127e+02 -1.837015216e+02 -1.848725231e+02 -2.428246826e+01 -9.297768637e+01 -1.662496448e+02 -3.459292223e+01 -9.218001349e+01 1.60 -1.726821221e+02 -8.373458520e+01 -1.427070876e+02 -1.725380614e+02 -1.733714129e+02 -1.917790391e+01 -8.510693159e+01 -1.560695952e+02 -2.894071966e+01 -8.395597685e+01 1.62 -1.626820219e+02 -7.573644673e+01 -1.332459936e+02 -1.618415326e+02 -1.623284555e+02 -1.481725833e+01 -7.777559899e+01 -1.461690994e+02 -2.375431602e+01 -7.577348298e+01 1.64 -1.528136706e+02 -6.841146854e+01 -1.249261491e+02 -1.515167622e+02 -1.516509259e+02 -1.139141985e+01 -7.068120157e+01 -1.365381774e+02 -1.896515419e+01 -6.776667703e+01 1.66 -1.430874561e+02 -6.162345586e+01 -1.172725562e+02 -1.414928917e+02 -1.412390522e+02 -8.647963470e+00 -6.362075562e+01 -1.270980237e+02 -1.482100394e+01 -6.005222306e+01 1.68 -1.335071278e+02 -5.511237602e+01 -1.099818200e+02 -1.317434834e+02 -1.310560390e+02 -6.419096216e+00 -5.656615565e+01 -1.177929791e+02 -1.161251283e+01 -5.267342248e+01 1.70 -1.240668702e+02 -4.866578433e+01 -1.028679839e+02 -1.222964584e+02 -1.211673060e+02 -4.586153479e+00 -4.961181139e+01 -1.086553561e+02 -9.175027266e+00 -4.563559361e+01 1.72 -1.147951894e+02 -4.222337927e+01 -9.577272262e+01 -1.132230243e+02 -1.117328121e+02 -3.068978526e+00 -4.287262908e+01 -9.981800678e+01 -7.338795933e+00 -3.897951484e+01 1.74 -1.057696496e+02 -3.587200727e+01 -8.855434798e+01 -1.045860680e+02 -1.029131294e+02 -1.828977240e+00 -3.642873306e+01 -9.140810673e+01 -5.935623522e+00 -3.276754768e+01 1.76 -9.706512099e+01 -2.978302858e+01 -8.118299791e+01 -9.641041541e+01 -9.479789487e+01 -8.660631053e-01 -3.033471480e+01 -8.349119827e+01 -4.834088078e+00 -2.702877749e+01 1.78 -8.874936385e+01 -2.411641249e+01 -7.376363170e+01 -8.867773941e+01 -8.735576501e+01 -1.786374722e-01 -2.461809012e+01 -7.608418299e+01 -3.951225858e+00 -2.177187174e+01 1.80 -8.092366771e+01 -1.892961513e+01 -6.648552580e+01 -8.135361706e+01 -8.046113247e+01 2.630901163e-01 -1.927426760e+01 -6.918444654e+01 -3.242098691e+00 -1.703015542e+01 1.82 -7.372969995e+01 -1.451196493e+01 -5.952977471e+01 -7.443479579e+01 -7.399281106e+01 5.154213559e-01 -1.448903090e+01 -6.278418308e+01 -2.684886950e+00 -1.324741180e+01 1.84 -6.723305879e+01 -1.105856901e+01 -5.297467481e+01 -6.793118437e+01 -6.788111892e+01 6.231545457e-01 -1.083410141e+01 -5.681145066e+01 -2.263013190e+00 -1.051095957e+01 1.86 -6.131822467e+01 -8.423505695e+00 -4.676273809e+01 -6.180948543e+01 -6.207612353e+01 5.695749092e-01 -8.145123467e+00 -5.111098779e+01 -1.957224099e+00 -8.517130251e+00 1.88 -5.575290027e+01 -6.435702348e+00 -4.079851026e+01 -5.600435480e+01 -5.653279687e+01 3.943191776e-01 -6.222386556e+00 -4.550951304e+01 -1.747668177e+00 -7.015972696e+00 1.90 -5.033337939e+01 -4.995326897e+00 -3.504793714e+01 -5.044560700e+01 -5.119578291e+01 1.815088980e-01 -4.884799236e+00 -3.988813867e+01 -1.616535814e+00 -5.855207388e+00 1.92 -4.494110049e+01 -4.022260299e+00 -2.956143505e+01 -4.505484639e+01 -4.598428620e+01 1.588063098e-03 -3.971559828e+00 -3.421306773e+01 -1.548128833e+00 -4.956484022e+00 1.94 -3.952557199e+01 -3.430836869e+00 -2.440920227e+01 -3.974861295e+01 -4.080779686e+01 -1.298311329e-01 -3.354906491e+00 -2.853240675e+01 -1.529531850e+00 -4.271103758e+00 1.96 -3.405554103e+01 -3.128191433e+00 -1.958387431e+01 -3.445013263e+01 -3.558871364e+01 -2.365117882e-01 -2.943124891e+00 -2.294485111e+01 -1.569824569e+00 -3.749321591e+00 1.98 -2.850806436e+01 -3.023960490e+00 -1.509135007e+01 -2.911544897e+01 -3.028945336e+01 -3.366238013e-01 -2.674748846e+00 -1.757726870e+01 -1.686923783e+00 -3.340393837e+00 2.00 -2.293286436e+01 -3.041362497e+00 -1.142688169e+01 -2.377788491e+01 -2.494488827e+01 -4.400448676e-01 -2.513239089e+00 -1.293000047e+01 -1.864509370e+00 -3.007319324e+00 2.02 -1.747779184e+01 -3.121823290e+00 -8.521353679e+00 -1.854918861e+01 -1.965790144e+01 -5.518525444e-01 -2.434784628e+00 -9.612250519e+00 -2.063891702e+00 -2.733829633e+00 2.04 -1.275098807e+01 -3.226852579e+00 -6.285061644e+00 -1.380972471e+01 -1.467330109e+01 -6.745192407e-01 -2.420756613e+00 -7.347371081e+00 -2.249382905e+00 -2.516569832e+00 2.06 -9.441793702e+00 -3.341092258e+00 -4.664645697e+00 -1.028310056e+01 -1.084030550e+01 -8.090780229e-01 -2.456141588e+00 -5.849252423e+00 -2.396485672e+00 -2.358522056e+00 2.08 -7.256782486e+00 -3.455515434e+00 -3.593647367e+00 -7.814299670e+00 -8.110025824e+00 -9.562705628e-01 -2.528433821e+00 -4.876209495e+00 -2.504824253e+00 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