# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Beland-L-K-Lu-C-Osetskiy-Y-N-et-al--Ni-Co # implementation = 2016--Beland-L-K--Ni-Co--LAMMPS--ipr2 # composition = Co # 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 nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 2.306139695e+05 nan 0.82 nan nan nan nan nan nan nan nan 2.052983410e+05 nan 0.84 nan nan nan nan nan nan nan nan 1.823899987e+05 nan 0.86 nan nan nan nan nan 1.242448843e+05 nan nan 1.616155044e+05 nan 0.88 nan nan nan nan nan 1.078998978e+05 nan nan 1.426953515e+05 nan 0.90 nan nan nan nan nan 9.290566323e+04 nan nan 1.253824722e+05 nan 0.92 nan nan nan nan nan 7.907917556e+04 nan nan 1.094746020e+05 nan 0.94 nan nan nan nan nan 6.630920240e+04 nan nan 9.484714549e+04 nan 0.96 nan nan nan nan nan 5.455686962e+04 nan nan 8.140328384e+04 nan 0.98 nan nan nan 2.405581287e+05 2.405586780e+05 4.378015905e+04 nan nan 6.908235425e+04 1.341093202e+05 1.00 nan 1.188188272e+05 nan 2.191466805e+05 2.191306145e+05 3.391634130e+04 1.222864666e+05 nan 5.780213620e+04 1.189781311e+05 1.02 nan 1.048471603e+05 nan 1.993778779e+05 1.993563777e+05 2.490290171e+04 1.081821942e+05 nan 4.746078190e+04 1.049563303e+05 1.04 nan 9.193670206e+04 nan 1.811028418e+05 1.810876745e+05 1.664074698e+04 9.512769374e+04 nan 3.794291726e+04 9.195227424e+04 1.06 nan 7.999671477e+04 nan 1.641894833e+05 1.641935048e+05 9.137056981e+03 8.298787813e+04 nan 2.913059770e+04 7.991673632e+04 1.08 nan 6.893034895e+04 nan 1.485065889e+05 1.485313080e+05 4.052382921e+03 7.168835595e+04 nan 2.092205162e+04 6.878997886e+04 1.10 nan 5.865168187e+04 nan 1.339472040e+05 1.339826794e+05 1.282222012e+03 6.117478942e+04 1.191683284e+05 1.324153294e+04 5.852260414e+04 1.12 1.203396030e+05 4.910042720e+04 1.004737627e+05 1.204174714e+05 1.204468408e+05 6.508643089e+01 5.139789845e+04 1.064496041e+05 6.676732750e+03 4.904761735e+04 1.14 1.077751811e+05 4.020344889e+04 8.894358039e+04 1.078160791e+05 1.078221773e+05 -2.839512697e+02 4.234242339e+04 9.463219476e+04 2.673680029e+03 4.027196539e+04 1.16 9.610197196e+04 3.190530517e+04 7.823519073e+04 9.607068030e+04 9.604925166e+04 -2.658017932e+02 3.395207737e+04 8.361923339e+04 6.250713918e+02 3.210220284e+04 1.18 8.520546209e+04 2.416007176e+04 6.825542972e+04 8.511327843e+04 8.506757184e+04 -1.986752019e+02 2.617572766e+04 7.331795821e+04 -1.702824447e+02 2.444969307e+04 1.20 7.500128742e+04 1.692077955e+04 5.889564100e+04 7.487792529e+04 7.482182292e+04 -1.460840573e+02 1.895386489e+04 6.365443725e+04 -3.214791234e+02 1.724287212e+04 1.22 6.540952995e+04 1.016327111e+04 5.010724893e+04 6.530574554e+04 6.526146128e+04 -1.052176422e+02 1.220658201e+04 5.457364360e+04 -2.610265069e+02 1.043550413e+04 1.24 5.638638113e+04 5.114833259e+03 4.181551573e+04 5.634250310e+04 5.632666950e+04 -7.365053972e+01 6.547768105e+03 4.603881860e+04 -2.008710527e+02 5.236046254e+03 1.26 4.787973362e+04 2.065916188e+03 3.398611871e+04 4.792696142e+04 4.794764757e+04 -4.922780840e+01 2.940207750e+03 3.802900306e+04 -1.543765358e+02 2.095389516e+03 1.28 3.991512237e+04 4.724251050e+02 2.664336121e+04 4.002945240e+04 4.008436786e+04 -3.067838172e+01 9.053681143e+02 3.054034688e+04 -1.183888387e+02 4.662082740e+02 1.30 3.244475119e+04 -1.887470139e+02 1.974979077e+04 3.259865354e+04 3.267353344e+04 -1.671555636e+01 -3.213135025e+01 2.354075651e+04 -9.039437860e+01 -1.905759778e+02 1.32 2.545909695e+04 -3.412722279e+02 1.330944383e+04 2.561541896e+04 2.569409662e+04 -6.379828541e+00 -3.205395207e+02 1.700949321e+04 -6.852335496e+01 -3.301652838e+02 1.34 1.894270017e+04 -2.951663260e+02 7.651654821e+03 1.904878369e+04 1.910886365e+04 1.177435769e+00 -3.093903183e+02 1.090338620e+04 -5.132021680e+01 -2.804871881e+02 1.36 1.284433330e+04 -2.353161672e+02 3.862824585e+03 1.287253078e+04 1.289705573e+04 6.611939308e+00 -2.452101017e+02 6.044867148e+03 -3.761087306e+01 -2.231856419e+02 1.38 7.505684619e+03 -1.872588603e+02 1.563101470e+03 7.458955906e+03 7.444669381e+03 1.047289764e+01 -1.940954565e+02 2.891970150e+03 -2.657362749e+01 -1.777906746e+02 1.40 3.879116334e+03 -1.485745537e+02 3.366941835e+02 3.803923644e+03 3.770886795e+03 1.316807925e+01 -1.535889981e+02 1.025173415e+03 -1.765625234e+01 -1.418029287e+02 1.42 1.615987099e+03 -1.173950234e+02 -1.999037286e+02 1.554184073e+03 1.523086325e+03 1.500704024e+01 -1.215279981e+02 7.899573279e+01 -1.048740266e+01 -1.129982868e+02 1.44 3.736956163e+02 -9.227536133e+01 -3.417954137e+02 3.398948579e+02 3.210535973e+02 1.618786589e+01 -9.608413873e+01 -2.876343050e+02 -4.761721236e+00 -8.967580283e+01 1.46 -1.859760079e+02 -7.206904053e+01 -3.084514932e+02 -1.968092491e+02 -2.036735065e+02 1.687735362e+01 -7.580031549e+01 -3.399840309e+02 -2.897025007e-01 -7.060088793e+01 1.48 -3.414935375e+02 -5.577043411e+01 -2.510624846e+02 -3.419605740e+02 -3.423098705e+02 1.714176460e+01 -5.949081760e+01 -2.838975066e+02 3.124544573e+00 -5.497119949e+01 1.50 -3.118513849e+02 -4.264556364e+01 -2.032288496e+02 -3.114721223e+02 -3.107585083e+02 1.708328175e+01 -4.629870654e+01 -2.300336480e+02 5.619720542e+00 -4.212491281e+01 1.52 -2.539808080e+02 -3.208319201e+01 -1.635672190e+02 -2.549850004e+02 -2.550542774e+02 1.675680347e+01 -3.557492406e+01 -1.858448885e+02 7.330240928e+00 -3.159278963e+01 1.54 -2.061952642e+02 -2.365195231e+01 -1.308989630e+02 -2.080831048e+02 -2.087891468e+02 1.622127875e+01 -2.681663697e+01 -1.497841328e+02 8.376162593e+00 -2.294900482e+01 1.56 -1.671005354e+02 -1.693941386e+01 -1.041658179e+02 -1.693282291e+02 -1.704417705e+02 1.552965257e+01 -1.966172239e+01 -1.204723399e+02 8.888292061e+00 -1.591571458e+01 1.58 -1.351661163e+02 -1.165772508e+01 -8.239312637e+01 -1.373712780e+02 -1.386677457e+02 1.473383966e+01 -1.386802168e+01 -9.670838594e+01 8.982571252e+00 -1.020269810e+01 1.60 -1.092055225e+02 -7.572086598e+00 -6.482496585e+01 -1.110481788e+02 -1.123170885e+02 1.387200042e+01 -9.198450957e+00 -7.745186793e+01 8.757190139e+00 -5.615596850e+00 1.62 -8.809113549e+01 -4.516889085e+00 -5.073156272e+01 -8.941188238e+01 -9.051524622e+01 1.297650019e+01 -5.467537349e+00 -6.181617259e+01 8.301080399e+00 -1.974923510e+00 1.64 -7.088065930e+01 -2.305782565e+00 -3.948871956e+01 -7.164211421e+01 -7.247726439e+01 1.207030217e+01 -2.489476667e+00 -4.910543538e+01 7.701148373e+00 8.624555613e-01 1.66 -5.684754798e+01 -7.073963233e-01 -3.055111440e+01 -5.706068438e+01 -5.757954983e+01 1.116973694e+01 -1.710353687e-01 -3.871745630e+01 7.052946980e+00 3.014445069e+00 1.68 -4.532009661e+01 3.988293093e-01 -2.347319194e+01 -4.510214549e+01 -4.531301599e+01 1.028574709e+01 1.580068007e+00 -3.020183260e+01 6.388902424e+00 4.580778538e+00 1.70 -3.582291430e+01 1.096320293e+00 -1.788060506e+01 -3.529823031e+01 -3.523483736e+01 9.424880109e+00 2.843810141e+00 -2.319736938e+01 5.729338284e+00 5.652339048e+00 1.72 -2.797307228e+01 1.463377444e+00 -1.346973350e+01 -2.726713175e+01 -2.698510942e+01 8.590917172e+00 3.691901472e+00 -1.743698320e+01 5.086041819e+00 6.303637833e+00 1.74 -2.147058154e+01 1.557320946e+00 -9.997951678e+00 -2.070584291e+01 -2.027183573e+01 7.785184689e+00 4.200016406e+00 -1.271706744e+01 4.466815713e+00 6.617261899e+00 1.76 -1.607042770e+01 1.436447434e+00 -7.206629902e+00 -1.535024312e+01 -1.483436641e+01 7.007453434e+00 4.426398591e+00 -8.860775281e+00 3.875389789e+00 6.661291496e+00 1.78 -1.163998843e+01 1.144843022e+00 -4.940901159e+00 -1.101655389e+01 -1.048022171e+01 6.256850881e+00 4.428344974e+00 -5.762344573e+00 3.312424842e+00 6.494942227e+00 1.80 -8.004869530e+00 7.345883002e-01 -3.117298830e+00 -7.520983467e+00 -7.018702548e+00 5.532105933e+00 4.254701891e+00 -3.302243037e+00 2.777916550e+00 6.174692491e+00 1.82 -5.065632846e+00 3.152448163e-01 -1.667158157e+00 -4.742787419e+00 -4.316104392e+00 4.832245570e+00 3.947324209e+00 -1.421935419e+00 2.270124002e+00 5.743793755e+00 1.84 -2.765428550e+00 -9.428969793e-02 -5.690450809e-01 -2.580090122e+00 -2.248652777e+00 4.156892234e+00 3.539557646e+00 -3.841594894e-02 1.786647748e+00 5.234744467e+00 1.86 -1.007549389e+00 -4.867855155e-01 2.361611498e-01 -9.357149098e-01 -7.095810878e-01 3.506262041e+00 3.055931420e+00 9.094852119e-01 1.324642926e+00 4.674339375e+00 1.88 2.700199476e-01 -8.605515559e-01 7.656501973e-01 2.550552219e-01 3.783691154e-01 2.881406446e+00 2.518324554e+00 1.472769324e+00 8.811566931e-01 4.080883447e+00 1.90 1.133024662e+00 -1.215359538e+00 1.056344968e+00 1.057796202e+00 1.091566802e+00 2.282839735e+00 1.949880418e+00 1.707229735e+00 4.532455181e-01 3.467995724e+00 1.92 1.622856577e+00 -1.551178552e+00 1.135578573e+00 1.516432843e+00 1.481204733e+00 1.710917270e+00 1.383929871e+00 1.658733887e+00 3.824021769e-02 2.842468425e+00 1.94 1.806012415e+00 -1.869468376e+00 1.034382063e+00 1.685806193e+00 1.602225324e+00 1.165031510e+00 8.260154818e-01 1.371787818e+00 -3.660871310e-01 2.211528926e+00 1.96 1.726146858e+00 -2.172248434e+00 7.808644686e-01 1.606358716e+00 1.494535169e+00 6.437070814e-01 2.785275647e-01 9.460591444e-01 -7.612814537e-01 1.577802880e+00 1.98 1.422849795e+00 -2.461328951e+00 4.034934330e-01 1.309024867e+00 1.186209687e+00 1.440013558e-01 -2.579321424e-01 4.710576610e-01 -1.148395889e+00 9.422768747e-01 2.00 9.319598534e-01 -2.738276497e+00 -7.566945189e-02 8.297794108e-01 7.093772948e-01 -3.376299311e-01 -7.835753464e-01 -3.982545504e-02 -1.528006720e+00 3.046903734e-01 2.02 3.709430302e-01 -2.992784160e+00 -5.770553148e-01 2.846746259e-01 1.758771771e-01 -7.742311379e-01 -1.268569247e+00 -5.460918257e-01 -1.876904262e+00 -2.902756347e-01 2.04 -1.530113358e-01 -3.215916944e+00 -1.034017444e+00 -2.227037357e-01 -3.140983591e-01 -1.143218942e+00 -1.688195432e+00 -1.011224354e+00 -2.175332585e+00 -8.046438706e-01 2.06 -6.390851463e-01 -3.410679868e+00 -1.448208878e+00 -6.933030571e-01 -7.655865483e-01 -1.454096352e+00 -2.050443036e+00 -1.436591167e+00 -2.427644394e+00 -1.249782672e+00 2.08 -1.086862880e+00 -3.579448772e+00 -1.822282916e+00 -1.126391192e+00 -1.179253096e+00 -1.715037114e+00 -2.362513610e+00 -1.822319617e+00 -2.637822092e+00 -1.635777678e+00 2.10 -1.495106343e+00 -3.724368776e+00 -2.158780945e+00 -1.522150688e+00 -1.557351379e+00 -1.933029641e+00 -2.630973538e+00 -2.169635369e+00 -2.809797566e+00 -1.971702198e+00 2.12 -1.868632055e+00 -3.847088947e+00 -2.462851785e+00 -1.883803907e+00 -1.903518108e+00 -2.114039829e+00 -2.861573058e+00 -2.481608380e+00 -2.947612626e+00 -2.264746354e+00 2.14 -2.205306163e+00 -3.949414477e+00 -2.736028179e+00 -2.211135548e+00 -2.218583218e+00 -2.263173991e+00 -3.059306398e+00 -2.759298431e+00 -3.055269264e+00 -2.521756461e+00 2.16 -2.507490342e+00 -4.032934173e+00 -2.981424770e+00 -2.506269268e+00 -2.504710680e+00 -2.384793659e+00 -3.228707953e+00 -3.005204124e+00 -3.136755614e+00 -2.747876508e+00 2.18 -2.777337563e+00 -4.099240880e+00 -3.201430512e+00 -2.771246667e+00 -2.763800726e+00 -2.482656675e+00 -3.373312091e+00 -3.221779537e+00 -3.195724879e+00 -2.946914793e+00 2.20 -3.016949276e+00 -4.149925284e+00 -3.397837493e+00 -3.008037745e+00 -2.997545300e+00 -2.560004409e+00 -3.496335441e+00 -3.411472569e+00 -3.235437504e+00 -3.121470931e+00 2.22 -3.228473546e+00 -4.186523047e+00 -3.572001613e+00 -3.218783436e+00 -3.207699076e+00 -2.619635885e+00 -3.600106013e+00 -3.576730340e+00 -3.258808314e+00 -3.273156134e+00 2.24 -3.414118369e+00 -4.210509513e+00 -3.725064650e+00 -3.405361884e+00 -3.395686453e+00 -2.663906663e+00 -3.686539158e+00 -3.719983289e+00 -3.268347872e+00 -3.402971448e+00 2.26 -3.576207815e+00 -4.222905085e+00 -3.857774497e+00 -3.569794652e+00 -3.562993211e+00 -2.695090142e+00 -3.757284864e+00 -3.843589278e+00 -3.266235070e+00 -3.511208806e+00 2.28 -3.717021261e+00 -4.224940185e+00 -3.971202628e+00 -3.713979090e+00 -3.710995924e+00 -2.714848484e+00 -3.813397450e+00 -3.949795725e+00 -3.254352615e+00 -3.598479365e+00 2.30 -3.838863572e+00 -4.217612980e+00 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