# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2008--Hepburn-D-J-Ackland-G-J--Fe-C # implementation = 2008--Hepburn-D-J--Fe-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 2024-11-27 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 3.511583382e+02 nan 0.70 nan nan nan nan nan nan nan nan 3.148276125e+02 nan 0.72 nan nan nan nan nan nan nan nan 2.827503233e+02 nan 0.74 nan nan nan nan nan 2.185106424e+02 nan nan 2.542025817e+02 nan 0.76 nan nan nan nan nan 1.939791849e+02 nan nan 2.285359576e+02 nan 0.78 nan nan nan nan nan 1.720495193e+02 nan nan 2.053290041e+02 nan 0.80 nan nan nan nan nan 1.526735424e+02 nan nan 1.843538823e+02 nan 0.82 nan nan nan nan nan 1.357284195e+02 nan nan 1.654224340e+02 nan 0.84 nan nan nan 3.342839000e+02 3.341008975e+02 1.209749866e+02 nan nan 1.483482321e+02 2.222251328e+02 0.86 nan 1.928808733e+02 nan 3.039434639e+02 3.037545642e+02 1.081755917e+02 2.031867770e+02 nan 1.330254841e+02 2.013121005e+02 0.88 nan 1.766843451e+02 nan 2.769651258e+02 2.768075724e+02 9.710341154e+01 1.848110422e+02 nan 1.193702593e+02 1.821412530e+02 0.90 nan 1.622707950e+02 nan 2.529824558e+02 2.528874948e+02 8.754176465e+01 1.680850611e+02 nan 1.072211408e+02 1.646454230e+02 0.92 nan 1.492978283e+02 nan 2.316747242e+02 2.316635553e+02 7.928008239e+01 1.528613075e+02 nan 9.640385267e+01 1.488216115e+02 0.94 nan 1.374716359e+02 nan 2.127538870e+02 2.128164343e+02 7.210680978e+01 1.389813523e+02 nan 8.675692066e+01 1.346259591e+02 0.96 1.958226617e+02 1.265342159e+02 1.778661978e+02 1.959156051e+02 1.960138752e+02 6.582792386e+01 1.263139608e+02 1.816589646e+02 7.814320689e+01 1.219217029e+02 0.98 1.808000695e+02 1.162683754e+02 1.644276022e+02 1.808970022e+02 1.809994072e+02 6.032473325e+01 1.147612363e+02 1.678923552e+02 7.045041253e+01 1.105699648e+02 1.00 1.673690543e+02 1.065532255e+02 1.520932361e+02 1.674541929e+02 1.675412349e+02 5.550412954e+01 1.042435025e+02 1.555054068e+02 6.357987603e+01 1.004388293e+02 1.02 1.552800131e+02 9.732270435e+01 1.407191406e+02 1.553448743e+02 1.554075720e+02 5.127119796e+01 9.469517159e+01 1.442195098e+02 5.744352225e+01 9.139838641e+01 1.04 1.442564825e+02 8.855688907e+01 1.301565322e+02 1.443008992e+02 1.443406519e+02 4.752015197e+01 8.605326362e+01 1.337983012e+02 5.196940231e+01 8.330406420e+01 1.06 1.340456146e+02 8.026735492e+01 1.202804752e+02 1.340783544e+02 1.341061409e+02 4.414956995e+01 7.823970778e+01 1.240754350e+02 4.709696822e+01 7.601342169e+01 1.08 1.245097932e+02 7.246158278e+01 1.109902165e+02 1.245378698e+02 1.245623612e+02 4.106417523e+01 7.115579880e+01 1.149487108e+02 4.274829001e+01 6.942341135e+01 1.10 1.155526734e+02 6.512682556e+01 1.022068594e+02 1.155775914e+02 1.156017004e+02 3.817420529e+01 6.470606358e+01 1.063337200e+02 3.883651804e+01 6.344899683e+01 1.12 1.070919923e+02 5.826103108e+01 9.388006324e+01 1.071113833e+02 1.071328096e+02 3.540252034e+01 5.880445772e+01 9.816139093e+01 3.528222531e+01 5.801252287e+01 1.14 9.906130624e+01 5.187436235e+01 8.599591803e+01 9.907234892e+01 9.908722737e+01 3.271882029e+01 5.338482711e+01 9.037766652e+01 3.203066223e+01 5.304545343e+01 1.16 9.140863648e+01 4.598844636e+01 7.852848924e+01 9.140992622e+01 9.141543102e+01 3.011327931e+01 4.839255010e+01 8.294278808e+01 2.904110556e+01 4.848728068e+01 1.18 8.409233786e+01 4.060541888e+01 7.145538497e+01 8.408523162e+01 8.408102512e+01 2.758074181e+01 4.378209547e+01 7.583137901e+01 2.627635095e+01 4.428279942e+01 1.20 7.708581557e+01 3.570163417e+01 6.476491070e+01 7.707327743e+01 7.706134029e+01 2.512186331e+01 3.951607633e+01 6.903422882e+01 2.370280347e+01 4.038534571e+01 1.22 7.037779210e+01 3.125431637e+01 5.845279513e+01 7.036265019e+01 7.034614371e+01 2.274101908e+01 3.556452352e+01 6.255883968e+01 2.129154892e+01 3.675656509e+01 1.24 6.397042470e+01 2.724192481e+01 5.251825804e+01 6.395460075e+01 6.393647802e+01 2.044433744e+01 3.189829598e+01 5.643287207e+01 1.903214592e+01 3.336484298e+01 1.26 5.787944375e+01 2.364215068e+01 4.696964628e+01 5.786457605e+01 5.784735904e+01 1.824285817e+01 2.849916954e+01 5.069736392e+01 1.692584150e+01 3.018561851e+01 1.28 5.213457182e+01 2.043431948e+01 4.182613652e+01 5.212183881e+01 5.210738321e+01 1.615396788e+01 2.536917828e+01 4.536901847e+01 1.497733162e+01 2.720222260e+01 1.30 4.678126078e+01 1.759820537e+01 3.711247346e+01 4.677134551e+01 4.676080220e+01 1.419798266e+01 2.251388569e+01 4.044726357e+01 1.319290697e+01 2.441765237e+01 1.32 4.183273767e+01 1.510843153e+01 3.282381218e+01 4.182607739e+01 4.181989375e+01 1.238040981e+01 1.992434217e+01 3.592427541e+01 1.156755444e+01 2.183704985e+01 1.34 3.727352331e+01 1.293729287e+01 2.893591232e+01 3.727060911e+01 3.726861242e+01 1.069704492e+01 1.758201646e+01 3.178206652e+01 1.008982999e+01 1.945273373e+01 1.36 3.308629029e+01 1.105698723e+01 2.542437043e+01 3.308712516e+01 3.308872281e+01 9.143586023e+00 1.546829666e+01 2.800214382e+01 8.748899081e+00 1.725534996e+01 1.38 2.925376013e+01 9.439642981e+00 2.226550378e+01 2.925774008e+01 2.926208853e+01 7.715753392e+00 1.356467114e+01 2.456618932e+01 7.534214638e+00 1.523520355e+01 1.40 2.575869213e+01 8.057415461e+00 1.943707951e+01 2.576496285e+01 2.577131200e+01 6.409306143e+00 1.185297480e+01 2.145592351e+01 6.435559892e+00 1.338264409e+01 1.42 2.258388096e+01 6.882486952e+00 1.691752160e+01 2.259157648e+01 2.259927425e+01 5.220008513e+00 1.031525938e+01 1.865321539e+01 5.442609944e+00 1.168806573e+01 1.44 1.971217458e+01 5.887066684e+00 1.468436491e+01 1.972050738e+01 1.972884019e+01 4.142215505e+00 8.933180358e+00 1.614040978e+01 4.544134291e+00 1.014196082e+01 1.46 1.712677455e+01 5.043390834e+00 1.271472635e+01 1.713492794e+01 1.714308133e+01 3.169829933e+00 7.689813575e+00 1.389999217e+01 3.728776980e+00 8.735821010e+00 1.48 1.481118749e+01 4.323976619e+00 1.098574215e+01 1.481825585e+01 1.482532422e+01 2.296766007e+00 6.574740172e+00 1.191447801e+01 2.986207592e+00 7.461991334e+00 1.50 1.274895658e+01 3.707786499e+00 9.474567828e+00 1.275414520e+01 1.275933382e+01 1.516949338e+00 5.579365455e+00 1.016646003e+01 2.310772799e+00 6.312865026e+00 1.52 1.092365254e+01 3.180722198e+00 8.158378919e+00 1.092648438e+01 1.092931621e+01 8.243176549e-01 4.695120593e+00 8.638909184e+00 1.698912980e+00 5.280856293e+00 1.54 9.318873641e+00 2.729286053e+00 7.014486291e+00 9.319195353e+00 9.319517066e+00 2.129361062e-01 3.913515070e+00 7.314946797e+00 1.147330726e+00 4.358400317e+00 1.56 7.918245665e+00 2.340438419e+00 6.020460942e+00 7.916223860e+00 7.914202055e+00 -3.228779455e-01 3.226414037e+00 6.177484505e+00 6.522628685e-01 3.537953259e+00 1.58 6.705516848e+00 2.001482849e+00 5.155960554e+00 6.701610605e+00 6.697704363e+00 -7.887696824e-01 2.625681953e+00 5.209523338e+00 2.094432800e-01 2.812087169e+00 1.60 5.665320507e+00 1.699957043e+00 4.408327963e+00 5.660063242e+00 5.654805977e+00 -1.190377550e+00 2.102309456e+00 4.394670168e+00 -1.853493257e-01 2.174252621e+00 1.62 4.782761774e+00 1.423696322e+00 3.766721989e+00 4.776646242e+00 4.770530711e+00 -1.533333256e+00 1.647189426e+00 3.716735520e+00 -5.361066175e-01 1.618364745e+00 1.64 4.042715806e+00 1.165311860e+00 3.220316092e+00 4.036193382e+00 4.029670958e+00 -1.823261772e+00 1.251642155e+00 3.159380123e+00 -8.467296159e-01 1.137856731e+00 1.66 3.429465592e+00 9.226662284e-01 2.758298370e+00 3.422946615e+00 3.416427638e+00 -2.065781331e+00 9.072365045e-01 2.705874874e+00 -1.113240984e+00 7.249597325e-01 1.68 2.927214756e+00 6.938998663e-01 2.369871565e+00 2.921068881e+00 2.914923007e+00 -2.266503429e+00 6.056216208e-01 2.339442711e+00 -1.104397365e+00 3.717284785e-01 1.70 2.520178722e+00 4.875439559e-01 2.044253055e+00 2.514735270e+00 2.509291819e+00 -2.431032825e+00 3.387583533e-01 2.043319476e+00 -8.740472343e-01 7.022359825e-02 1.72 2.192584715e+00 7.056804044e-01 1.770674859e+00 2.188133020e+00 2.183681324e+00 -2.409666925e+00 9.958256545e-02 1.800838472e+00 -5.853798188e-01 -1.874883799e-01 1.74 1.928671758e+00 1.182617260e+00 1.538383638e+00 1.925461515e+00 1.922251273e+00 -2.135933209e+00 -1.169957969e-01 1.595586751e+00 -3.433336404e-01 -4.093350271e-01 1.76 1.712701259e+00 1.562663594e+00 1.336647747e+00 1.710940231e+00 1.709179202e+00 -1.764064616e+00 -2.957166717e-01 1.411697500e+00 -2.096788842e-01 -6.032327230e-01 1.78 1.529189154e+00 1.675327248e+00 1.154912001e+00 1.528982833e+00 1.528776512e+00 -1.404939307e+00 -1.423542535e-01 1.239546711e+00 -2.151397064e-01 -7.769705827e-01 1.80 1.362902767e+00 1.528530883e+00 9.827955830e-01 1.364194831e+00 1.365486895e+00 -1.134089007e+00 2.124278666e-01 1.073794832e+00 -3.354259254e-01 -7.776806088e-01 1.82 1.200814291e+00 1.347012567e+00 8.113943589e-01 1.203385608e+00 1.205956925e+00 -9.983358426e-01 5.601522833e-01 9.099230259e-01 -4.591134139e-01 -4.828230804e-01 1.84 1.039846673e+00 1.167479985e+00 6.384784112e-01 1.043325364e+00 1.046804055e+00 -1.014353963e+00 7.805734999e-01 7.467343095e-01 -5.777898458e-01 -1.050044152e-01 1.86 8.797534120e-01 9.902666930e-01 6.474929080e-01 8.837373500e-01 8.877212879e-01 -1.074751569e+00 8.132871544e-01 5.839801508e-01 -6.914567401e-01 2.106900521e-01 1.88 7.202947525e-01 8.156898627e-01 1.046149503e+00 7.244425694e-01 7.285903863e-01 -1.133639801e+00 6.720288324e-01 6.591820370e-01 -8.001599888e-01 3.758706899e-01 1.90 5.612374946e-01 6.439119269e-01 1.488230372e+00 5.652702606e-01 5.693030265e-01 -1.191133469e+00 5.149781655e-01 1.126463412e+00 -9.041273729e-01 3.451879141e-01 1.92 7.242819084e-01 4.750799173e-01 1.764224648e+00 7.279825882e-01 7.316832681e-01 -1.247345053e+00 3.618817724e-01 1.599193845e+00 -1.003623863e+00 2.099680205e-01 1.94 1.208022568e+00 3.093504951e-01 1.778381843e+00 1.211235478e+00 1.214448388e+00 -1.302384699e+00 2.127368845e-01 1.850334440e+00 -1.098911412e+00 7.827241346e-02 1.96 1.656589262e+00 1.469076319e-01 1.608707423e+00 1.659219527e+00 1.661849792e+00 -1.356360225e+00 6.754279023e-02 1.786688157e+00 -1.190244567e+00 -5.004573719e-02 1.98 1.870540382e+00 -1.193963503e-02 1.437268171e+00 1.872553391e+00 1.874566401e+00 -1.409377118e+00 -7.369916497e-02 1.621984430e+00 -1.277822441e+00 -1.751370034e-01 2.00 1.782394537e+00 -1.668430511e-01 1.268090152e+00 1.783815403e+00 1.785236269e+00 -1.461538533e+00 -2.109855781e-01 1.456649662e+00 -1.361807161e+00 -2.971486809e-01 2.02 1.621215588e+00 -3.174534895e-01 1.101288203e+00 1.622128601e+00 1.623041613e+00 -1.512945296e+00 -3.443109904e-01 1.290810715e+00 -1.442358081e+00 -4.162247868e-01 2.04 1.459087562e+00 -4.634127651e-01 9.368939727e-01 1.459623350e+00 1.460159138e+00 -1.563695901e+00 -4.736678845e-01 1.124900176e+00 -1.519632394e+00 -5.324732703e-01 2.06 1.296365010e+00 -6.043583111e-01 7.749417343e-01 1.296645381e+00 1.296925752e+00 -1.613886511e+00 -5.990466873e-01 9.594272544e-01 -1.593785132e+00 -6.458531567e-01 2.08 1.133525988e+00 -4.612250464e-02 6.154683813e-01 1.133648766e+00 1.133771543e+00 -1.663610959e+00 -7.204357684e-01 7.949018734e-01 -1.664969168e+00 -7.562812118e-01 2.10 9.710492099e-01 -1.198458433e-01 4.585134306e-01 9.710884289e-01 9.711276479e-01 -1.712960747e+00 -8.378214398e-01 6.318346693e-01 -1.733335211e+00 -8.636728885e-01 2.12 8.094140471e-01 -2.456526774e-01 3.041190201e-01 8.094201465e-01 8.094262458e-01 -1.762025048e+00 -9.511879575e-01 4.707369932e-01 -1.799031813e+00 -9.679423283e-01 2.14 6.491005259e-01 -3.665328429e-01 1.523299106e-01 6.491005432e-01 6.491005606e-01 -1.810890700e+00 -1.060517280e+00 3.121209088e-01 -1.862205363e+00 -1.069002362e+00 2.16 4.905893278e-01 -4.825387784e-01 3.220290924e-03 4.905893278e-01 4.905893278e-01 -1.859615408e+00 -1.165760258e+00 1.564991933e-01 -1.922994309e+00 -1.166764510e+00 2.18 3.343617905e-01 -5.937261991e-01 -1.429562483e-01 3.343617905e-01 3.343617905e-01 -1.908077764e+00 -1.266847868e+00 4.385338368e-03 -1.981458687e+00 -1.261138980e+00 2.20 1.808999063e-01 -7.001501955e-01 -2.858734662e-01 1.808999063e-01 1.808999063e-01 -1.956084004e+00 -1.363785818e+00 -1.437064520e-01 -2.037603177e+00 -1.352034670e+00 2.22 3.068632384e-02 -8.018652334e-01 -4.252046223e-01 3.068632384e-02 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