# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Bonny-G-Terentyev-D-Pasianot-R-C-et-al--Fe-Ni-Cr # implementation = 2011--Bonny-G--Fe-Ni-Cr--LAMMPS--ipr2 # 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 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 nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 2.241723883e+03 nan 0.74 nan nan nan nan nan nan nan nan 2.029477834e+03 nan 0.76 nan nan nan nan nan nan nan nan 1.840172647e+03 nan 0.78 nan nan nan nan nan 1.422371126e+03 nan nan 1.670727481e+03 nan 0.80 nan nan nan nan nan 1.289379583e+03 nan nan 1.518582801e+03 nan 0.82 nan nan nan nan nan 1.169623987e+03 nan nan 1.381551044e+03 nan 0.84 nan nan nan nan nan 1.061715310e+03 nan nan 1.257659707e+03 nan 0.86 nan nan nan nan nan 9.644302312e+02 nan nan 1.145340771e+03 nan 0.88 nan nan nan 2.312714234e+03 2.312789483e+03 8.767339667e+02 nan nan 1.043359237e+03 1.518931802e+03 0.90 nan 1.376357523e+03 nan 2.129496819e+03 2.129234233e+03 7.977309952e+02 1.411678579e+03 nan 9.506787588e+02 1.393362944e+03 0.92 nan 1.262381913e+03 nan 1.962667385e+03 1.962191610e+03 7.265934785e+02 1.296745929e+03 nan 8.663556024e+02 1.278529815e+03 0.94 nan 1.158708641e+03 nan 1.810647704e+03 1.810093328e+03 6.625758137e+02 1.191627134e+03 nan 7.895963707e+02 1.173399417e+03 0.96 nan 1.064288066e+03 nan 1.672010470e+03 1.671494774e+03 6.049422371e+02 1.095145766e+03 nan 7.197218156e+02 1.077133790e+03 0.98 nan 9.781760262e+02 nan 1.545417067e+03 1.545027521e+03 5.530108407e+02 1.006384421e+03 1.433055969e+03 6.561106164e+02 9.889508361e+02 1.00 1.429764342e+03 8.994798517e+02 1.280667589e+03 1.429626100e+03 1.429434982e+03 5.061645226e+02 9.246677042e+02 1.324430511e+03 5.981784120e+02 9.081111619e+02 1.02 1.323384782e+03 8.273653057e+02 1.184883068e+03 1.323496834e+03 1.323531869e+03 4.638263762e+02 8.494220782e+02 1.224936762e+03 5.454025411e+02 8.339847359e+02 1.04 1.225788216e+03 7.611251431e+02 1.096763910e+03 1.226068767e+03 1.226288948e+03 4.254383707e+02 7.801395186e+02 1.133712605e+03 4.973036685e+02 7.659862617e+02 1.06 1.136180716e+03 7.001157124e+02 1.015381136e+03 1.136495389e+03 1.136808533e+03 3.904823467e+02 7.163565736e+02 1.049927354e+03 4.534421742e+02 7.035706270e+02 1.08 1.053763812e+03 6.437065412e+02 9.400342857e+02 1.054035438e+03 1.054354264e+03 3.585622319e+02 6.576518425e+02 9.727858502e+02 4.134452932e+02 6.462676916e+02 1.10 9.777832888e+02 5.914005031e+02 8.702480890e+02 9.779857884e+02 9.782535988e+02 3.293701801e+02 6.036223986e+02 9.015532888e+02 3.769753103e+02 5.936207912e+02 1.12 9.075390223e+02 5.428329931e+02 8.055720703e+02 9.076758155e+02 9.078697370e+02 3.026492493e+02 5.538980677e+02 8.355503705e+02 3.437158865e+02 5.452139820e+02 1.14 8.423808891e+02 4.977164313e+02 7.455635940e+02 8.424858338e+02 8.426120741e+02 2.781611692e+02 5.081221981e+02 7.742022589e+02 3.133820984e+02 5.006696414e+02 1.16 7.817311563e+02 4.558041518e+02 6.898320338e+02 7.818344215e+02 7.819126005e+02 2.556787202e+02 4.659557196e+02 7.170587685e+02 2.857171508e+02 4.596396504e+02 1.18 7.251364757e+02 4.168914493e+02 6.380431139e+02 7.252487060e+02 7.253051203e+02 2.350058059e+02 4.270979138e+02 6.638132281e+02 2.604723772e+02 4.218412764e+02 1.20 6.723442051e+02 3.807904480e+02 5.898598130e+02 6.724474361e+02 6.724946273e+02 2.159418968e+02 3.912904463e+02 6.142142283e+02 2.374046407e+02 3.870569736e+02 1.22 6.231037579e+02 3.473029477e+02 5.449643642e+02 6.231806902e+02 6.232185448e+02 1.982821624e+02 3.582976993e+02 5.680116191e+02 2.162778908e+02 3.550721842e+02 1.24 5.771704179e+02 3.162717264e+02 5.030624590e+02 5.772103210e+02 5.772318002e+02 1.818301411e+02 3.279095178e+02 5.249660017e+02 1.968703868e+02 3.256809046e+02 1.26 5.343324644e+02 2.875540889e+02 4.639400342e+02 5.343199097e+02 5.343179950e+02 1.664700747e+02 2.999424574e+02 4.848536972e+02 1.790087822e+02 2.986785958e+02 1.28 4.943719239e+02 2.609914325e+02 4.274164019e+02 4.943040450e+02 4.942790130e+02 1.521246829e+02 2.742122507e+02 4.474549457e+02 1.625480223e+02 2.738622570e+02 1.30 4.570645261e+02 2.364406770e+02 3.933126880e+02 4.569629777e+02 4.569224315e+02 1.387110461e+02 2.505415924e+02 4.125666485e+02 1.473628069e+02 2.510409381e+02 1.32 4.222109172e+02 2.137902825e+02 3.614754026e+02 4.221099576e+02 4.220654811e+02 1.261622435e+02 2.287531049e+02 3.800077745e+02 1.333371269e+02 2.300283339e+02 1.34 3.896488757e+02 1.929312182e+02 3.317753911e+02 3.895742956e+02 3.895361619e+02 1.144315109e+02 2.086672753e+02 3.496214546e+02 1.203522069e+02 2.106550310e+02 1.36 3.592292840e+02 1.737448199e+02 3.040838257e+02 3.591968729e+02 3.591739491e+02 1.034724734e+02 1.901139343e+02 3.212659114e+02 1.083071744e+02 1.927657042e+02 1.38 3.308014914e+02 1.561276099e+02 2.782808622e+02 3.308234355e+02 3.308237909e+02 9.324226679e+01 1.729337670e+02 2.948147081e+02 9.714172078e+01 1.762141265e+02 1.40 3.042362720e+02 1.399883050e+02 2.542591646e+02 3.043113526e+02 3.043376453e+02 8.369821208e+01 1.570140176e+02 2.701545857e+02 8.680014997e+01 1.608612260e+02 1.42 2.794181779e+02 1.252348826e+02 2.319337029e+02 2.795305173e+02 2.795787707e+02 7.480606953e+01 1.422725007e+02 2.471768499e+02 7.722972646e+01 1.465611127e+02 1.44 2.562437936e+02 1.117717672e+02 2.112268190e+02 2.563685686e+02 2.564314848e+02 6.653320904e+01 1.286355078e+02 2.257784204e+02 6.838604312e+01 1.332006837e+02 1.46 2.346258136e+02 9.950455270e+01 1.920526382e+02 2.347386276e+02 2.348080705e+02 5.884236582e+01 1.160349925e+02 2.058715538e+02 6.022743986e+01 1.207240584e+02 1.48 2.144744600e+02 8.834628268e+01 1.743281251e+02 2.145593088e+02 2.146272993e+02 5.169931401e+01 1.044023561e+02 1.873722705e+02 5.270985867e+01 1.090766451e+02 1.50 1.957090108e+02 7.821672256e+01 1.579831438e+02 1.957571596e+02 1.958160062e+02 4.507613274e+01 9.366918780e+01 1.702002251e+02 4.578977721e+01 9.820104627e+01 1.52 1.782582847e+02 6.903374664e+01 1.429438025e+02 1.782633406e+02 1.783053344e+02 3.894528812e+01 8.376807093e+01 1.542808830e+02 3.942744060e+01 8.805149835e+01 1.54 1.620463035e+02 6.071228842e+01 1.291199338e+02 1.620082409e+02 1.620267014e+02 3.327282010e+01 7.462791526e+01 1.395426255e+02 3.358542334e+01 7.859190458e+01 1.56 1.469967621e+02 5.317231703e+01 1.164184114e+02 1.469248937e+02 1.469157522e+02 2.806435305e+01 6.618278230e+01 1.259150985e+02 2.822391676e+01 6.978951002e+01 1.58 1.330430280e+02 4.633788198e+01 1.047597510e+02 1.329507890e+02 1.329135626e+02 2.360725944e+01 5.837533872e+01 1.133316016e+02 2.330501489e+01 6.161350208e+01 1.60 1.201236859e+02 4.013667020e+01 9.407132374e+01 1.200259543e+02 1.199642950e+02 1.984143902e+01 5.115223597e+01 1.017312314e+02 1.898752607e+01 5.403195152e+01 1.62 1.081823459e+02 3.450141364e+01 8.427766168e+01 1.080930249e+02 1.080138551e+02 1.664132368e+01 4.446356266e+01 9.105861491e+01 1.543634924e+01 4.701707135e+01 1.64 9.716781644e+01 2.936594462e+01 7.530168199e+01 9.709404277e+01 9.700564008e+01 1.390668365e+01 3.827440343e+01 8.125860300e+01 1.249423231e+01 4.054470344e+01 1.66 8.702868494e+01 2.467336777e+01 6.707448968e+01 8.697185219e+01 8.688326216e+01 1.155904547e+01 3.255901064e+01 7.227311103e+01 1.004207728e+01 3.458892601e+01 1.68 7.770821786e+01 2.038328837e+01 5.953446306e+01 7.767069108e+01 7.759187627e+01 9.537077104e+00 2.729598142e+01 6.404515839e+01 7.990931279e+00 2.911801435e+01 1.70 6.915196957e+01 1.645908360e+01 5.262324649e+01 6.913574977e+01 6.907482356e+01 7.793988572e+00 2.246374564e+01 5.652157737e+01 6.270635008e+00 2.410300047e+01 1.72 6.131287853e+01 1.297300505e+01 4.628528770e+01 6.131616526e+01 6.127812185e+01 6.294020075e+00 1.803848702e+01 4.965454974e+01 4.825181013e+00 1.952147536e+01 1.74 5.414746211e+01 1.015294425e+01 4.046584876e+01 5.416439244e+01 5.415144754e+01 5.007655629e+00 1.411238525e+01 4.339599603e+01 3.609265043e+00 1.544803960e+01 1.76 4.760323511e+01 7.872475406e+00 3.511537652e+01 4.763013930e+01 4.764363084e+01 3.908285326e+00 1.090567954e+01 3.769529127e+01 2.585348313e+00 1.210690574e+01 1.78 4.162697163e+01 6.010848588e+00 3.019620721e+01 4.166420975e+01 4.170387336e+01 2.972647960e+00 8.303621003e+00 3.250463704e+01 1.722970187e+00 9.385824939e+00 1.80 3.617124226e+01 4.471242256e+00 2.567504161e+01 3.622095352e+01 3.628409844e+01 2.181089340e+00 6.197673476e+00 2.778211428e+01 9.981463825e-01 7.175499022e+00 1.82 3.119917152e+01 3.184483192e+00 2.152228324e+01 3.126049716e+01 3.134178375e+01 1.516866614e+00 4.499302816e+00 2.349028484e+01 3.906608664e-01 5.388537946e+00 1.84 2.667461535e+01 2.104646961e+00 1.770842020e+01 2.674405522e+01 2.683679255e+01 9.661021069e-01 3.135200831e+00 1.959134551e+01 -1.163758480e-01 3.951963193e+00 1.86 2.255827097e+01 1.196363718e+00 1.420287597e+01 2.263270954e+01 2.273071859e+01 5.136616356e-01 2.043395542e+00 1.604651825e+01 -5.366838258e-01 2.803136588e+00 1.88 1.881182743e+01 4.319569811e-01 1.119079828e+01 1.888928730e+01 1.898733705e+01 1.439998171e-01 1.171426009e+00 1.283253250e+01 -8.822962684e-01 1.888898307e+00 1.90 1.540036828e+01 -2.100925695e-01 8.734534518e+00 1.547905225e+01 1.557234583e+01 -1.565449010e-01 4.756186615e-01 1.016299946e+01 -1.163949633e+00 1.164830607e+00 1.92 1.232419253e+01 -7.478521899e-01 6.728636676e+00 1.240125819e+01 1.248483535e+01 -3.998104173e-01 -7.818439832e-02 8.018829771e+00 -1.391057631e+00 5.928127964e-01 1.94 9.799386082e+00 -1.197766396e+00 5.086551035e+00 9.869903417e+00 9.938974692e+00 -5.971575975e-01 -5.178542487e-01 6.284530388e+00 -1.573000357e+00 1.389174814e-01 1.96 7.771399664e+00 -1.575958456e+00 3.735892221e+00 7.829081392e+00 7.880013922e+00 -7.590784915e-01 -8.672935829e-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 -5.244857502e-01 2.00 4.787198967e+00 -2.172810583e+00 1.679127970e+00 4.805398985e+00 4.814344985e+00 -1.016547780e+00 -1.377363466e+00 2.703036876e+00 -1.942353499e+00 -7.802616784e-01 2.02 3.661206332e+00 -2.414654450e+00 8.839529168e-01 3.657441452e+00 3.645684321e+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 -3.696704383e-01 1.848809070e+00 1.800816289e+00 -1.334431059e+00 -1.885423345e+00 5.159312720e-01 -2.199053890e+00 -1.414728840e+00 2.08 1.189722461e+00 -2.989815785e+00 -8.605233387e-01 1.128980033e+00 1.066831848e+00 -1.426585549e+00 -2.013605522e+00 -3.322047946e-02 -2.271613464e+00 -1.595185966e+00 2.10 5.745403267e-01 -3.141849351e+00 -1.279451832e+00 5.015185407e-01 4.287999977e-01 -1.512305281e+00 -2.127991895e+00 -5.189081390e-01 -2.338047763e+00 -1.763640675e+00 2.12 3.015170742e-02 -3.276187034e+00 -1.637606597e+00 -5.036725395e-02 -1.294547730e-01 -1.591527610e+00 -2.231669234e+00 -9.516764164e-01 -2.397887561e+00 -1.920540497e+00 2.14 -4.561002721e-01 -3.392833816e+00 -1.944267338e+00 -5.390417820e-01 -6.201442836e-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 -2.200781870e+00 2.18 -1.283335715e+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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