# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Bonny-G-Bakaev-A-Terentyev-D--Fe-C-Cr # implementation = 2022--Bonny-G--Fe-C-Cr--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 2024-01-04 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 -4.227430291e+11 nan 0.70 nan nan nan nan nan nan nan nan -3.240539403e+11 nan 0.72 nan nan nan nan nan nan nan nan -2.501868505e+11 nan 0.74 nan nan nan nan nan -1.260755040e+11 nan nan -1.944693279e+11 nan 0.76 nan nan nan nan nan -9.857058116e+10 nan nan -1.521266589e+11 nan 0.78 nan nan nan nan nan -7.752424374e+10 nan nan -1.197154724e+11 nan 0.80 nan nan nan nan nan -6.130254793e+10 nan nan -9.473244992e+10 nan 0.82 nan nan nan nan nan -4.872659537e+10 nan nan -7.535383392e+10 nan 0.84 nan nan nan -4.261614354e+11 -4.261686015e+11 -3.892443036e+10 nan nan -6.024027249e+10 -1.474348386e+11 0.86 nan -1.185903083e+11 nan -3.434639988e+11 -3.434587149e+11 -3.124269682e+10 -1.238470459e+11 nan -4.839112553e+10 -1.186616615e+11 0.88 nan -9.587422295e+10 nan -2.781194838e+11 -2.781084757e+11 -2.519037700e+10 -1.001438555e+11 nan -3.905406686e+10 -9.594370518e+10 0.90 nan -7.785340957e+10 nan -2.262142725e+11 -2.262055036e+11 -2.039796237e+10 -8.133976507e+10 nan -3.165949218e+10 -7.790735257e+10 0.92 nan -6.348492814e+10 nan -1.847864705e+11 -1.847852921e+11 -1.658548802e+10 -6.634296627e+10 nan -2.577367479e+10 -6.351782233e+10 0.94 nan -5.197448937e+10 nan -1.515646613e+11 -1.515704435e+11 -1.353848330e+10 -5.431937943e+10 nan -2.106567595e+10 -5.199338072e+10 0.96 -1.247712749e+11 -4.271383387e+10 -9.602707745e+10 -1.247954581e+11 -1.248040060e+11 -1.109404228e+10 -4.463790468e+10 -1.040681051e+11 -1.728206309e+10 -4.272927231e+10 0.98 -1.031183224e+11 -3.523372423e+10 -7.932164304e+10 -1.031330880e+11 -1.031399370e+11 -9.125750823e+09 -3.681550935e+10 -8.598745557e+10 -1.422806367e+10 -3.525074595e+10 1.00 -8.553383008e+10 -2.916509208e+10 -6.576454635e+10 -8.553476037e+10 -8.553630868e+10 -7.534408433e+09 -3.047273919e+10 -7.130424814e+10 -1.175268217e+10 -2.918545842e+10 1.02 -7.119346735e+10 -2.422180734e+10 -5.471785379e+10 -7.118381655e+10 -7.118050195e+10 -6.241906871e+09 -2.531014804e+10 -5.933036240e+10 -9.738184885e+09 -2.424493250e+10 1.04 -5.945094502e+10 -2.017946003e+10 -4.567429693e+10 -5.943738726e+10 -5.943193043e+10 -5.186579817e+09 -2.109161487e+10 -4.952568102e+10 -8.092785334e+09 -2.020509204e+10 1.06 -4.979562995e+10 -1.686246167e+10 -3.824016565e+10 -4.978548543e+10 -4.978044483e+10 -4.320829703e+09 -1.763166172e+10 -4.146570959e+10 -6.744629288e+09 -1.688915325e+10 1.08 -4.182944474e+10 -1.413253273e+10 -3.210791005e+10 -4.182517713e+10 -4.182187727e+10 -3.608159053e+09 -1.478381749e+10 -3.481810447e+10 -5.637191351e+09 -1.415713374e+10 1.10 -3.523637365e+10 -1.187800983e+10 -2.703318898e+10 -3.523717876e+10 -3.523631662e+10 -3.020155471e+09 -1.243084217e+10 -2.931827712e+10 -4.724978290e+09 -1.189825407e+10 1.12 -2.976296316e+10 -1.000978857e+10 -2.281988246e+10 -2.976785149e+10 -2.976959954e+10 -2.533781767e+09 -1.047949397e+10 -2.475500064e+10 -3.971311935e+09 -1.002479215e+10 1.14 -2.520718124e+10 -8.457355988e+09 -1.931371075e+10 -2.521412395e+10 -2.521770863e+10 -2.130683979e+09 -8.855530179e+09 -2.095862939e+10 -3.346673593e+09 -8.467595871e+09 1.16 -2.140502073e+10 -7.163358640e+09 -1.638927889e+10 -2.141167777e+10 -2.141562538e+10 -1.795974677e+09 -7.500286439e+09 -1.779173839e+10 -2.827264702e+09 -7.170585875e+09 1.18 -1.822244232e+10 -6.081519679e+09 -1.394367622e+10 -1.822724471e+10 -1.823039531e+10 -1.517500566e+09 -6.366917145e+09 -1.514190736e+10 -2.394180110e+09 -6.087715042e+09 1.20 -1.555085676e+10 -5.175005490e+09 -1.189220754e+10 -1.555305843e+10 -1.555481706e+10 -1.285255020e+09 -5.417188425e+09 -1.291816367e+10 -2.032104849e+09 -5.181035981e+09 1.22 -1.330284951e+10 -4.413572966e+09 -1.016626459e+10 -1.330197059e+10 -1.330214797e+10 -1.091025224e+09 -4.619511708e+09 -1.104662513e+10 -1.728538344e+09 -4.419295823e+09 1.24 -1.140601126e+10 -3.772158526e+09 -8.710575956e+09 -1.140243339e+10 -1.140125336e+10 -9.281535336e+08 -3.947833133e+09 -9.466761401e+09 -1.473323299e+09 -3.777292032e+09 1.26 -9.800250447e+09 -3.230201125e+09 -7.479503579e+09 -9.795338193e+09 -9.793293059e+09 -7.911860934e+08 -3.380911337e+09 -8.129225073e+09 -1.258231096e+09 -3.235025951e+09 1.28 -8.436314807e+09 -2.771287378e+09 -6.435715245e+09 -8.431985016e+09 -8.429679294e+09 -6.757558231e+08 -2.901228773e+09 -6.993842246e+09 -1.076474645e+09 -2.775980862e+09 1.30 -7.275417700e+09 -2.381994035e+09 -5.548324968e+09 -7.272648827e+09 -7.270560596e+09 -5.782860061e+08 -2.494380271e+09 -6.028142672e+09 -9.224990743e+08 -2.386693258e+09 1.32 -6.285456077e+09 -2.051071220e+09 -4.791537909e+09 -6.284414468e+09 -6.282872810e+09 -4.957887134e+08 -2.148473922e+09 -5.205129536e+09 -7.917744319e+08 -2.055935069e+09 1.34 -5.439691101e+09 -1.769126378e+09 -4.144186954e+09 -5.440066793e+09 -5.439206933e+09 -4.257731031e+08 -1.853723802e+09 -4.502379534e+09 -6.805474932e+08 -1.774321060e+09 1.36 -4.715905429e+09 -1.528357490e+09 -3.589463725e+09 -4.717150263e+09 -4.716955236e+09 -3.662201238e+08 -1.602192620e+09 -3.901127637e+09 -5.857308210e+08 -1.534019144e+09 1.38 -4.095304457e+09 -1.322367332e+09 -3.113645317e+09 -4.097009278e+09 -4.097425905e+09 -3.154901990e+08 -1.387218482e+09 -3.385802772e+09 -5.047903494e+08 -1.328447687e+09 1.40 -3.562215849e+09 -1.145909106e+09 -2.705030532e+09 -3.564062356e+09 -3.564985977e+09 -2.722006404e+08 -1.203154280e+09 -2.943398301e+09 -4.355879611e+08 -1.152187745e+09 1.42 -3.103553820e+09 -9.945542582e+08 -2.353709516e+09 -3.105233634e+09 -3.106499109e+09 -2.352012403e+08 -1.045218606e+09 -2.562933057e+09 -3.763231465e+08 -1.000769057e+09 1.44 -2.708180441e+09 -8.645304894e+08 -2.051300276e+09 -2.709488553e+09 -2.710893248e+09 -2.035366673e+08 -9.093923228e+08 -2.235090164e+09 -3.255033263e+08 -8.704038943e+08 1.46 -2.366701152e+09 -7.526267137e+08 -1.790633373e+09 -2.367572741e+09 -2.368895036e+09 -1.763957563e+08 -7.923276985e+08 -1.952066326e+09 -2.818830090e+08 -7.579218547e+08 1.48 -2.071308789e+09 -6.561125995e+08 -1.565577822e+09 -2.071707955e+09 -2.072740594e+09 -1.530894739e+08 -6.912040736e+08 -1.707342018e+09 -2.444120265e+08 -6.607230834e+08 1.50 -1.815345941e+09 -5.726996126e+08 -1.370895494e+09 -1.815334045e+09 -1.815976630e+09 -1.330331321e+08 -6.036747679e+08 -1.495393955e+09 -2.121941808e+08 -5.765962829e+08 1.52 -1.593112029e+09 -5.004980558e+08 -1.202115689e+09 -1.592842024e+09 -1.593098272e+09 -1.157311573e+08 -5.277837238e+08 -1.311525658e+09 -1.844615934e+08 -5.036490044e+08 1.54 -1.399828939e+09 -4.379175277e+08 -1.055498772e+09 -1.399463434e+09 -1.399394133e+09 -1.007715421e+08 -4.618668410e+08 -1.151785391e+09 -1.605588564e+08 -4.403014113e+08 1.56 -1.231561758e+09 -3.836086126e+08 -9.279684622e+08 -1.231180362e+09 -1.230856929e+09 -8.781710556e+07 -4.045253301e+08 -1.012848377e+09 -1.399324633e+08 -3.852610418e+08 1.58 -1.084919034e+09 -3.364107840e+08 -8.168834205e+08 -1.084531924e+09 -1.084028592e+09 -7.658031779e+07 -3.545751355e+08 -8.918463415e+08 -1.221100118e+08 -3.374119641e+08 1.60 -9.569627992e+08 -2.953251809e+08 -7.199648250e+08 -9.565548907e+08 -9.559458118e+08 -6.681489581e+07 -3.110165860e+08 -7.863025527e+08 -1.066908589e+08 -2.957848859e+08 1.62 -8.451516360e+08 -2.594942565e+08 -6.352533632e+08 -8.447277633e+08 -8.440840895e+08 -5.831115701e+07 -2.730049482e+08 -6.940809900e+08 -9.333416908e+07 -2.595401953e+08 1.64 -7.473034738e+08 -2.281956459e+08 -5.611140071e+08 -7.468779286e+08 -7.462584328e+08 -5.090049805e+07 -2.398225933e+08 -6.133493915e+08 -8.174699538e+07 -2.279645363e+08 1.66 -6.615387495e+08 -2.008147359e+08 -4.961601779e+08 -6.611275127e+08 -6.605755911e+08 -4.444282946e+07 -2.108440823e+08 -5.425334189e+08 -7.167769541e+07 -2.004455063e+08 1.68 -5.862300107e+08 -1.768240129e+08 -4.391854219e+08 -5.858497515e+08 -5.853962969e+08 -3.881547247e+07 -1.855233696e+08 -4.802959558e+08 -6.291029836e+07 -1.764490724e+08 1.70 -5.199689425e+08 -1.557800748e+08 -3.891403666e+08 -5.196406544e+08 -5.193064971e+08 -3.391102770e+07 -1.633873904e+08 -4.255085704e+08 -5.526067009e+07 -1.555099006e+08 1.72 -4.615377617e+08 -1.373126118e+08 -3.451129445e+08 -4.612966118e+08 -4.610945126e+08 -2.963558226e+07 -1.440248777e+08 -3.772167675e+08 -4.857424720e+07 -1.372229184e+08 1.74 -4.099136544e+08 -1.211054822e+08 -3.063109941e+08 -4.097948793e+08 -4.097274835e+08 -2.590710945e+07 -1.270765684e+08 -3.346208693e+08 -4.272285254e+07 -1.212358352e+08 1.76 -3.642826976e+08 -1.068801863e+08 -2.720469852e+08 -3.642925850e+08 -3.643456308e+08 -2.265404309e+07 -1.122288958e+08 -2.970343451e+08 -3.759685219e+07 -1.072425278e+08 1.78 -3.239378038e+08 -9.439145532e+07 -2.417315525e+08 -3.240589345e+08 -3.242067282e+08 -1.981400997e+07 -9.920865948e+07 -2.638520779e+08 -3.310167948e+07 -9.497720096e+07 1.80 -2.882530949e+08 -8.342350842e+07 -2.148776026e+08 -2.884586174e+08 -2.886752597e+08 -1.733270512e+07 -8.777983416e+07 -2.345405245e+08 -2.915657798e+07 -8.420924604e+07 1.82 -2.566750515e+08 -7.378669470e+07 -1.910658076e+08 -2.569341663e+08 -2.571959413e+08 -1.516308209e+07 -7.773936897e+07 -2.086296399e+08 -2.569120740e+07 -7.473872214e+07 1.84 -2.287145505e+08 -6.531448613e+07 -1.699453027e+08 -2.289997535e+08 -2.292851501e+08 -1.326584048e+07 -6.891314004e+07 -1.857080481e+08 -2.264415098e+07 -6.639239493e+07 1.86 -2.039397393e+08 -5.786078967e+07 -1.512138115e+08 -2.042294289e+08 -2.045191185e+08 -1.160731065e+07 -6.114881058e+07 -1.654196267e+08 -1.996183041e+07 -5.902030680e+07 1.88 -1.819725776e+08 -5.129754906e+07 -1.346017470e+08 -1.822493579e+08 -1.825261381e+08 -1.015780910e+07 -5.431282425e+07 -1.474508750e+08 -1.759785393e+07 -5.249662408e+07 1.90 -1.624846143e+08 -4.551260908e+07 -1.198688093e+08 -1.627333314e+08 -1.629820485e+08 -8.891190313e+06 -4.828818315e+07 -1.315249897e+08 -1.551273213e+07 -4.671894484e+07 1.92 -1.451856652e+08 -4.040781721e+07 -1.068010029e+08 -1.453932799e+08 -1.456008945e+08 -7.784453079e+06 -4.297247166e+07 -1.173977494e+08 -1.367272437e+07 -4.159785683e+07 1.94 -1.298189394e+08 -3.589734020e+07 -9.520792847e+07 -1.299770635e+08 -1.301351876e+08 -6.817386370e+06 -3.827610224e+07 -1.048541287e+08 -1.204853747e+07 -3.705456379e+07 1.96 -1.161573569e+08 -3.190663421e+07 -8.492032913e+07 -1.162634548e+08 -1.163695527e+08 -5.972251421e+06 -3.412076141e+07 -9.370776092e+07 -1.061441045e+07 -3.301967540e+07 1.98 -1.040002472e+08 -2.837170235e+07 -7.578800339e+07 -1.040563123e+08 -1.041123774e+08 -5.233519482e+06 -3.043803679e+07 -8.379583308e+07 -9.348154254e+06 -2.943212820e+07 2.00 -9.317039276e+07 -2.523693109e+07 -6.767932527e+07 -9.318178879e+07 -9.319318483e+07 -4.587869445e+06 -2.716874362e+07 -7.497430407e+07 -8.230313091e+06 -2.623822505e+07 2.02 -8.351138666e+07 -2.245536663e+07 -6.047838736e+07 -8.348589940e+07 -8.346041214e+07 -4.023771389e+06 -2.426248466e+07 -6.711579685e+07 -7.243610397e+06 -2.339078154e+07 2.04 -7.488540048e+07 -1.998618533e+07 -5.408202716e+07 -7.483243513e+07 -7.477946978e+07 -3.531059848e+06 -2.167523356e+07 -6.010841442e+07 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