# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Daramola-A-Bonny-G-Adjanor-G-et-al--Fe-Ni-Cr-Mn # implementation = 2022--Daramola-A--Fe-Ni-Cr-Mn--LAMMPS--ipr1 # composition = Cr # 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 nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 1.065289135e+04 nan 0.74 nan nan nan nan nan nan nan nan 9.592285288e+03 nan 0.76 nan nan nan nan nan nan nan nan 8.649105996e+03 nan 0.78 nan nan nan nan nan 6.669780311e+03 nan nan 7.808091657e+03 nan 0.80 nan nan nan nan nan 6.019531275e+03 nan nan 7.056169853e+03 nan 0.82 nan nan nan nan nan 5.436820308e+03 nan nan 6.382426630e+03 nan 0.84 nan nan nan nan nan 4.913713668e+03 nan nan 5.777115717e+03 nan 0.86 nan nan nan nan nan 4.443150963e+03 nan nan 5.231941038e+03 nan 0.88 nan nan nan 1.092514170e+04 1.092530923e+04 4.019274819e+03 nan nan 4.740065106e+03 7.026913519e+03 0.90 nan 6.317045082e+03 nan 1.001827094e+04 1.001811400e+04 3.636770348e+03 6.492182838e+03 nan 4.295526604e+03 6.410704783e+03 0.92 nan 5.761349809e+03 nan 9.195021449e+03 9.194672910e+03 3.291096047e+03 5.926882166e+03 nan 3.893071241e+03 5.851502954e+03 0.94 nan 5.257070527e+03 nan 8.446361475e+03 8.445930455e+03 2.978556957e+03 5.413239487e+03 nan 3.528181864e+03 5.343299356e+03 0.96 nan 4.798734669e+03 nan 7.764549053e+03 7.764119904e+03 2.695531755e+03 4.945499437e+03 nan 3.196999747e+03 4.880874967e+03 0.98 nan 4.381575713e+03 nan 7.142705602e+03 7.142352480e+03 2.438810006e+03 4.518955437e+03 6.590988207e+03 2.896041792e+03 4.459366014e+03 1.00 6.574983080e+03 4.001257796e+03 5.843152334e+03 6.574768938e+03 6.574631623e+03 2.205568128e+03 4.129416317e+03 6.059901650e+03 2.622155839e+03 4.074577449e+03 1.02 6.055015655e+03 3.653933220e+03 5.372656227e+03 6.055131086e+03 6.055244721e+03 1.993348074e+03 3.773172987e+03 5.574145470e+03 2.372607164e+03 3.723100290e+03 1.04 5.578568656e+03 3.336237353e+03 4.941595256e+03 5.578971026e+03 5.579276141e+03 1.799900788e+03 3.447061928e+03 5.129319659e+03 2.144983420e+03 3.401585013e+03 1.06 5.141647024e+03 3.045200062e+03 4.546023736e+03 5.142126730e+03 5.142540943e+03 1.623280619e+03 3.148229918e+03 4.721450977e+03 1.937091124e+03 3.107054736e+03 1.08 4.740371693e+03 2.778028882e+03 4.182278306e+03 4.740852301e+03 4.741273940e+03 1.461717299e+03 2.874090684e+03 4.346908163e+03 1.747041398e+03 2.837125105e+03 1.10 4.371332962e+03 2.532460087e+03 3.847543256e+03 4.371684296e+03 4.372037477e+03 1.313739987e+03 2.622378240e+03 4.002433572e+03 1.573147166e+03 2.589478233e+03 1.12 4.031383183e+03 2.306472667e+03 3.539191168e+03 4.031533123e+03 4.031788815e+03 1.178122545e+03 2.391152580e+03 3.685005593e+03 1.413889409e+03 2.361969443e+03 1.14 3.717667008e+03 2.098321831e+03 3.254759440e+03 3.717728540e+03 3.717901659e+03 1.053667527e+03 2.178575804e+03 3.392022796e+03 1.267916786e+03 2.152684033e+03 1.16 3.427739552e+03 1.906352750e+03 2.992200920e+03 3.427798659e+03 3.427898471e+03 9.392729543e+02 1.982895683e+03 3.121306207e+03 1.134004498e+03 1.959916219e+03 1.18 3.159398116e+03 1.729194022e+03 2.749562180e+03 3.159505739e+03 3.159580276e+03 8.340018188e+02 1.802552023e+03 2.870941610e+03 1.011026393e+03 1.782255275e+03 1.20 2.910885031e+03 1.565663802e+03 2.524986635e+03 2.911026388e+03 2.911115249e+03 7.369630457e+02 1.636220628e+03 2.639192672e+03 8.979724836e+02 1.618488201e+03 1.22 2.680540127e+03 1.414569400e+03 2.316892096e+03 2.680705025e+03 2.680808628e+03 6.473457583e+02 1.482710279e+03 2.424510737e+03 7.939278198e+02 1.467437206e+03 1.24 2.466848713e+03 1.274939876e+03 2.123981003e+03 2.467027970e+03 2.467125540e+03 5.644786881e+02 1.340971942e+03 2.225499136e+03 6.980592235e+02 1.327999564e+03 1.26 2.268561846e+03 1.145876346e+03 1.945033867e+03 2.268679272e+03 2.268749189e+03 4.878051294e+02 1.210042852e+03 2.040927166e+03 6.096493074e+02 1.199188008e+03 1.28 2.084435641e+03 1.026448194e+03 1.778901840e+03 2.084449724e+03 2.084493296e+03 4.168348671e+02 1.088985172e+03 1.869589754e+03 5.280092051e+02 1.080104364e+03 1.30 1.913268048e+03 9.158653152e+02 1.624498583e+03 1.913227536e+03 1.913258666e+03 3.510224539e+02 9.769792710e+02 1.710402498e+03 4.525327204e+02 9.699496034e+02 1.32 1.754033360e+03 8.135158619e+02 1.480968046e+03 1.753992718e+03 1.754017697e+03 2.899339672e+02 8.732835968e+02 1.562412763e+03 3.827017980e+02 8.679816661e+02 1.34 1.605845376e+03 7.187749288e+02 1.347549552e+03 1.605802776e+03 1.605814821e+03 2.334626145e+02 7.772035556e+02 1.424747467e+03 3.180170005e+02 7.735457767e+02 1.36 1.467814983e+03 6.309975472e+02 1.223409554e+03 1.467782922e+03 1.467781661e+03 1.870944050e+02 6.881283734e+02 1.296597453e+03 2.580435809e+02 6.859670153e+02 1.38 1.339134503e+03 5.496698086e+02 1.107818375e+03 1.339145530e+03 1.339151339e+03 1.509949715e+02 6.054693270e+02 1.177219205e+03 2.037920435e+02 6.046394701e+02 1.40 1.219122493e+03 4.743661136e+02 1.000131833e+03 1.219192506e+03 1.219224761e+03 1.226900436e+02 5.286915272e+02 1.065982530e+03 1.610199187e+02 5.290208975e+02 1.42 1.107202664e+03 4.046235080e+02 8.998072495e+02 1.107294195e+03 1.107347995e+03 1.003371451e+02 4.573198635e+02 9.623157135e+02 1.278741806e+02 4.585955289e+02 1.44 1.002765599e+03 3.399731593e+02 8.063883040e+02 1.002857671e+03 1.002929728e+03 8.255909521e+01 3.909398266e+02 8.656453290e+02 1.020503362e+02 3.929329004e+02 1.46 9.052275195e+02 2.800111951e+02 7.193900392e+02 9.053274664e+02 9.054158565e+02 6.830921876e+01 3.291953876e+02 7.754662736e+02 8.182479852e+01 3.317411760e+02 1.48 8.140804205e+02 2.244063093e+02 6.383309791e+02 8.142104514e+02 8.143107881e+02 5.679448466e+01 2.717607919e+02 6.913322395e+02 6.589212430e+01 2.747191638e+02 1.50 7.289090410e+02 1.757409570e+02 5.628205598e+02 7.290767243e+02 7.291822368e+02 4.742083285e+01 2.183391395e+02 6.128365667e+02 5.326181103e+01 2.215822095e+02 1.52 6.493979189e+02 1.378468321e+02 4.924738229e+02 6.495438401e+02 6.496405138e+02 3.973158629e+01 1.732835143e+02 5.396163867e+02 4.319057019e+01 1.768338897e+02 1.54 5.751593041e+02 1.083461098e+02 4.268851690e+02 5.752302810e+02 5.753053105e+02 3.337054726e+01 1.379369038e+02 4.712948897e+02 3.511500905e+01 1.415452521e+02 1.56 5.057709930e+02 8.531873296e+01 3.657014074e+02 5.057716348e+02 5.058177257e+02 2.806435305e+01 1.100890618e+02 4.075133302e+02 2.859888662e+01 1.135785126e+02 1.58 4.409112522e+02 6.730468284e+01 3.086566202e+02 4.408535449e+02 4.408637149e+02 2.360725944e+01 8.806005376e+01 3.479596116e+02 2.330819830e+01 9.131390203e+01 1.60 3.802786977e+02 5.318048806e+01 2.555182250e+02 3.801852199e+02 3.801629161e+02 1.984143902e+01 7.055222640e+01 2.923478373e+02 1.898752607e+01 7.350570981e+01 1.62 3.235759027e+02 4.207966590e+01 2.061053271e+02 3.234854441e+02 3.234443515e+02 1.664132368e+01 5.655432360e+01 2.404283256e+02 1.543634924e+01 5.919850022e+01 1.64 2.705588778e+02 3.332421379e+01 1.645910403e+02 2.704863228e+02 2.704354568e+02 1.390668365e+01 4.530323207e+01 1.927462288e+02 1.249423231e+01 4.766333578e+01 1.66 2.210047496e+02 2.638805892e+01 1.316449655e+02 2.209405891e+02 2.208841458e+02 1.155904547e+01 3.622247101e+01 1.538980457e+02 1.004207728e+01 3.833220273e+01 1.68 1.771520156e+02 2.087599600e+01 1.054460550e+02 1.770988521e+02 1.770388601e+02 9.537077104e+00 2.887076292e+01 1.229648321e+02 7.990931278e+00 3.075388016e+01 1.70 1.420466973e+02 1.648406857e+01 8.456317505e+01 1.420182108e+02 1.419631275e+02 7.793988572e+00 2.290555107e+01 9.829104845e+01 6.270635008e+00 2.458073778e+01 1.72 1.139646391e+02 1.297300505e+01 6.787429191e+01 1.139611770e+02 1.139179540e+02 6.294020075e+00 1.805678495e+01 7.858859455e+01 4.825181014e+00 1.954824476e+01 1.74 9.147734790e+01 1.015294425e+01 5.450011416e+01 9.148880828e+01 9.146455865e+01 5.007655629e+00 1.411238525e+01 6.283808288e+01 3.609265043e+00 1.544803960e+01 1.76 7.343633280e+01 7.872475406e+00 4.375146050e+01 7.346167870e+01 7.346524870e+01 3.908285326e+00 1.090567954e+01 5.022842213e+01 2.585348313e+00 1.210690574e+01 1.78 5.893547893e+01 6.010848588e+00 3.509406971e+01 5.897820824e+01 5.901333710e+01 2.972647960e+00 8.303621003e+00 4.012195728e+01 1.722970187e+00 9.385824938e+00 1.80 4.726906635e+01 4.471242256e+00 2.810966870e+01 4.732876274e+01 4.739176727e+01 2.181089340e+00 6.197673476e+00 3.201952587e+01 9.981463825e-01 7.175499022e+00 1.82 3.788642599e+01 3.184483192e+00 2.246864481e+01 3.795682915e+01 3.803975124e+01 1.516866615e+00 4.499302816e+00 2.552746018e+01 3.906608666e-01 5.388537946e+00 1.84 3.034230781e+01 2.104646961e+00 1.790500892e+01 3.041686682e+01 3.051131585e+01 9.661021069e-01 3.135200831e+00 2.032822118e+01 -1.163758480e-01 3.951963193e+00 1.86 2.427408254e+01 1.196363718e+00 1.420287597e+01 2.435025710e+01 2.444959550e+01 5.136616357e-01 2.043395542e+00 1.616522457e+01 -5.366838257e-01 2.803136588e+00 1.88 1.939344432e+01 4.319569811e-01 1.119079828e+01 1.947114247e+01 1.957008101e+01 1.439998171e-01 1.171426009e+00 1.283253250e+01 -8.822962685e-01 1.888898307e+00 1.90 1.547165996e+01 -2.100925694e-01 8.734534518e+00 1.555035131e+01 1.564400450e+01 -1.565449010e-01 4.756186615e-01 1.016299946e+01 -1.163949633e+00 1.164830607e+00 1.92 1.232419253e+01 -7.478521900e-01 6.728636676e+00 1.240125819e+01 1.248483535e+01 -3.998104173e-01 -7.818439836e-02 8.018829771e+00 -1.391057632e+00 5.928127963e-01 1.94 9.799386082e+00 -1.197766396e+00 5.086551035e+00 9.869903417e+00 9.938974692e+00 -5.971575975e-01 -5.178542488e-01 6.284530385e+00 -1.573000357e+00 1.389174813e-01 1.96 7.771399664e+00 -1.575958456e+00 3.735892221e+00 7.829081392e+00 7.880013922e+00 -7.590784915e-01 -8.672935828e-01 4.864022297e+00 -1.719294516e+00 -2.253759204e-01 1.98 6.132006627e+00 -1.896734109e+00 2.616666451e+00 6.171467955e+00 6.201850240e+00 -8.955990834e-01 -1.147564858e+00 3.688345151e+00 -1.839562047e+00 -5.244857503e-01 2.00 4.787198949e+00 -2.172810585e+00 1.679127957e+00 4.805398967e+00 4.814344967e+00 -1.016547786e+00 -1.377363472e+00 2.703036870e+00 -1.942353504e+00 -7.802616876e-01 2.02 3.661206332e+00 -2.414654450e+00 8.839529167e-01 3.657441452e+00 3.645684320e+00 -1.129363674e+00 -1.572225070e+00 1.864365182e+00 -2.034999217e+00 -1.010109576e+00 2.04 2.707811720e+00 -2.628710807e+00 2.067856518e-01 2.682714666e+00 2.651760623e+00 -1.235400026e+00 -1.739881067e+00 1.142715591e+00 -2.120300388e+00 -1.220534148e+00 2.06 1.893286246e+00 -2.819360572e+00 -3.696704384e-01 1.848809070e+00 1.800816289e+00 -1.334431059e+00 -1.885423345e+00 5.159312721e-01 -2.199053890e+00 -1.414728841e+00 2.08 1.189722461e+00 -2.989815785e+00 -8.605233387e-01 1.128980033e+00 1.066831848e+00 -1.426585549e+00 -2.013605522e+00 -3.322047950e-02 -2.271613464e+00 -1.595185966e+00 2.10 5.745403268e-01 -3.141849351e+00 -1.279451832e+00 5.015185407e-01 4.287999978e-01 -1.512305281e+00 -2.127991895e+00 -5.189081389e-01 -2.338047763e+00 -1.763640674e+00 2.12 3.015170735e-02 -3.276187034e+00 -1.637606597e+00 -5.036725402e-02 -1.294547730e-01 -1.591527610e+00 -2.231669235e+00 -9.516764165e-01 -2.397887561e+00 -1.920540497e+00 2.14 -4.561002721e-01 -3.392833816e+00 -1.944267338e+00 -5.390417819e-01 -6.201442835e-01 -1.664230584e+00 -2.327462751e+00 -1.338257608e+00 -2.450497699e+00 -2.066247802e+00 2.16 -8.920309041e-01 -3.491589419e+00 -2.207345924e+00 -9.727968284e-01 -1.051841777e+00 -1.730529474e+00 -2.417830913e+00 -1.683360669e+00 -2.495415187e+00 -2.200781869e+00 2.18 -1.283335716e+00 -3.572272869e+00 -2.433696088e+00 -1.357900733e+00 -1.431130006e+00 -1.790501259e+00 -2.504313616e+00 -1.990637339e+00 -2.532465789e+00 -2.324042472e+00 2.20 -1.634232803e+00 -3.634625844e+00 -2.628318591e+00 -1.699392716e+00 -1.763686819e+00 -1.843992707e+00 -2.587560447e+00 -2.262796484e+00 -2.561521377e+00 -2.435973037e+00 2.22 -1.947826334e+00 -3.678479981e+00 -2.794817433e+00 -2.001299229e+00 -2.054340287e+00 -1.890769370e+00 -2.667607001e+00 -2.502780584e+00 -2.582507966e+00 -2.536651032e+00 2.24 -2.226915472e+00 -3.704185541e+00 -2.936322011e+00 -2.267263652e+00 -2.307460540e+00 -1.930661214e+00 -2.744292726e+00 -2.713672498e+00 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