# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Co3W # 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 2024-04-11 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 2.307812005e+02 nan nan 1.16 2.100604068e+02 nan nan 1.18 1.911822436e+02 nan nan 1.20 1.739789327e+02 nan nan 1.22 1.582952407e+02 nan nan 1.24 1.439884346e+02 nan nan 1.26 1.309281537e+02 nan nan 1.28 1.189958357e+02 1.958358645e+02 2.289773681e+02 1.30 1.080851023e+02 1.795758779e+02 2.105200720e+02 1.32 9.810229806e+01 1.646350842e+02 1.935295993e+02 1.34 8.896538174e+01 1.509013299e+02 1.778792848e+02 1.36 8.060156481e+01 1.382710399e+02 1.634550979e+02 1.38 7.294539430e+01 1.266490408e+02 1.501541440e+02 1.40 6.593785870e+01 1.159486544e+02 1.378834301e+02 1.42 5.952564965e+01 1.060915550e+02 1.265594092e+02 1.44 5.365995169e+01 9.700692613e+01 1.161072946e+02 1.46 4.829521274e+01 8.863051867e+01 1.064596769e+02 1.48 4.338852874e+01 8.090434186e+01 9.755512072e+01 1.50 3.889974890e+01 7.377660553e+01 8.933709037e+01 1.52 3.479194243e+01 6.720113830e+01 8.175315756e+01 1.54 3.103172842e+01 6.113638538e+01 7.475450392e+01 1.56 2.758970583e+01 5.554458044e+01 6.829562601e+01 1.58 2.443966331e+01 5.039120687e+01 6.233417981e+01 1.60 2.155743532e+01 4.564449580e+01 5.683101072e+01 1.62 1.892195644e+01 4.127485763e+01 5.175021076e+01 1.64 1.651539101e+01 3.725436275e+01 4.705892111e+01 1.66 1.431935338e+01 3.355644921e+01 4.272691888e+01 1.68 1.231714626e+01 3.015595057e+01 3.872630390e+01 1.70 1.049368966e+01 2.702980273e+01 3.503141017e+01 1.72 8.835225990e+00 2.415640180e+01 3.161875945e+01 1.74 7.329035831e+00 2.151532109e+01 2.846723373e+01 1.76 5.963249784e+00 1.908797856e+01 2.555787500e+01 1.78 4.726764892e+00 1.685839375e+01 2.287280449e+01 1.80 3.609206181e+00 1.481100076e+01 2.039573664e+01 1.82 2.600873535e+00 1.293085818e+01 1.811253819e+01 1.84 1.692677190e+00 1.120463935e+01 1.601133395e+01 1.86 8.761009247e-01 9.620535123e+00 1.407916831e+01 1.88 1.431925788e-01 8.168047896e+00 1.230356619e+01 1.90 -5.134598144e-01 6.837717152e+00 1.067262835e+01 1.92 -1.100785925e+00 5.620834747e+00 9.175168034e+00 1.94 -1.625295596e+00 4.509224547e+00 7.800813007e+00 1.96 -2.093105293e+00 3.495134002e+00 6.539957847e+00 1.98 -2.509918116e+00 2.571223921e+00 5.383616881e+00 2.00 -2.880977065e+00 1.730601250e+00 4.323306776e+00 2.02 -3.211018330e+00 9.668380662e-01 3.351036919e+00 2.04 -3.504243393e+00 2.739408395e-01 2.459398265e+00 2.06 -3.764193197e+00 -3.537298892e-01 1.641687983e+00 2.08 -3.994138671e+00 -9.215521318e-01 8.919979598e-01 2.10 -4.197046629e+00 -1.434700964e+00 2.052195774e-01 2.12 -4.375469475e+00 -1.898148133e+00 -4.230419956e-01 2.14 -4.531639878e+00 -2.316606634e+00 -9.966169702e-01 2.16 -4.667534156e+00 -2.694443262e+00 -1.518943837e+00 2.18 -4.784602118e+00 -3.035590431e+00 -1.993229384e+00 2.20 -4.883881881e+00 -3.343487842e+00 -2.422566527e+00 2.22 -4.966466992e+00 -3.621070021e+00 -2.809989672e+00 2.24 -5.033470328e+00 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-4.564441262e+00 -5.247925063e+00 -5.310871228e+00 2.62 -4.483152846e+00 -5.214919385e+00 -5.302394002e+00 2.64 -4.398430232e+00 -5.176073261e+00 -5.286905512e+00 2.66 -4.310606861e+00 -5.131936535e+00 -5.265030957e+00 2.68 -4.220028058e+00 -5.082968490e+00 -5.237134432e+00 2.70 -4.127027046e+00 -5.029523944e+00 -5.203519157e+00 2.72 -4.031902620e+00 -4.971805441e+00 -5.164491747e+00 2.74 -3.934905040e+00 -4.909962688e+00 -5.120365727e+00 2.76 -3.836231544e+00 -4.844122643e+00 -5.071467540e+00 2.78 -3.736028456e+00 -4.774315625e+00 -5.018145407e+00 2.80 -3.634396367e+00 -4.700573233e+00 -4.960778428e+00 2.82 -3.531397009e+00 -4.622971524e+00 -4.899698203e+00 2.84 -3.427062406e+00 -4.541626437e+00 -4.835147026e+00 2.86 -3.321406920e+00 -4.456690883e+00 -4.767432846e+00 2.88 -3.214441739e+00 -4.368354117e+00 -4.696917206e+00 2.90 -3.106190542e+00 -4.276843371e+00 -4.623975429e+00 2.92 -2.996705132e+00 -4.182427175e+00 -4.548954826e+00 2.94 -2.886080316e+00 -4.085419229e+00 -4.472141482e+00 2.96 -2.774467587e+00 -3.986181199e+00 -4.393743161e+00 2.98 -2.662087061e+00 -3.885122472e+00 -4.313889585e+00 3.00 -2.549236680e+00 -3.782694678e+00 -4.232645543e+00 3.02 -2.436297175e+00 -3.679379188e+00 -4.150029898e+00 3.04 -2.323731090e+00 -3.575666980e+00 -4.066034395e+00 3.06 -2.212074364e+00 -3.472032340e+00 -3.980638787e+00 3.08 -2.101919753e+00 -3.368904278e+00 -3.893821205e+00 3.10 -1.993892558e+00 -3.266641109e+00 -3.805564322e+00 3.12 -1.888620549e+00 -3.165513391e+00 -3.715858442e+00 3.14 -1.786701179e+00 -3.065698157e+00 -3.624702749e+00 3.16 -1.688669895e+00 -2.967284350e+00 -3.532105712e+00 3.18 -1.594973318e+00 -2.870286772e+00 -3.438085423e+00 3.20 -1.505950262e+00 -2.774664824e+00 -3.342670428e+00 3.22 -1.421822201e+00 -2.680342591e+00 -3.245901435e+00 3.24 -1.342693299e+00 -2.587227858e+00 -3.147834166e+00 3.26 -1.268558755e+00 -2.495228810e+00 -3.048543437e+00 3.28 -1.199319307e+00 -2.404267976e+00 -2.948128391e+00 3.30 -1.134799377e+00 -2.314293443e+00 -2.846718626e+00 3.32 -1.074766455e+00 -2.225287497e+00 -2.744480739e+00 3.34 -1.018949773e+00 -2.137272772e+00 -2.641624597e+00 3.36 -9.670569090e-01 -2.050315867e+00 -2.538408522e+00 3.38 -9.187875925e-01 -1.964528262e+00 -2.435142422e+00 3.40 -8.738444650e-01 -1.880064319e+00 -2.332187954e+00 3.42 -8.319409310e-01 -1.797116248e+00 -2.229954889e+00 3.44 -7.928064420e-01 -1.715906097e+00 -2.128893108e+00 3.46 -7.561896594e-01 -1.636675133e+00 -2.029480041e+00 3.48 -7.218599573e-01 -1.559671325e+00 -1.932203898e+00 3.50 -6.896076882e-01 -1.485135905e+00 -1.837543651e+00 3.52 -6.592435767e-01 -1.413290213e+00 -1.745947418e+00 3.54 -6.305975345e-01 -1.344323994e+00 -1.657811421e+00 3.56 -6.035171312e-01 -1.278386170e+00 -1.573461957e+00 3.58 -5.778658951e-01 -1.215578804e+00 -1.493142508e+00 3.60 -5.535215707e-01 -1.155954519e+00 -1.417007391e+00 3.62 -5.303744231e-01 -1.099517257e+00 -1.345122231e+00 3.64 -5.083256488e-01 -1.046225901e+00 -1.277470495e+00 3.66 -4.872859273e-01 -9.960000512e-01 -1.213964523e+00 3.68 -4.671741307e-01 -9.487271456e-01 -1.154459185e+00 3.70 -4.479161984e-01 -9.042701498e-01 -1.098766388e+00 3.72 -4.294441720e-01 -8.624751321e-01 -1.046669008e+00 3.74 -4.116953887e-01 -8.231782199e-01 -9.979332950e-01 3.76 -3.946118291e-01 -7.862115987e-01 -9.523192398e-01 3.78 -3.781396259e-01 -7.514083872e-01 -9.095887279e-01 3.80 -3.622287456e-01 -7.186063557e-01 -8.695115710e-01 3.82 -3.468328677e-01 -6.876505571e-01 -8.318696448e-01 3.84 -3.319094867e-01 -6.583950069e-01 -7.964594406e-01 3.86 -3.174202645e-01 -6.307035786e-01 -7.630933597e-01 3.88 -3.033316403e-01 -6.044502902e-01 -7.316000602e-01 3.90 -2.896156791e-01 -5.795191466e-01 -7.018241318e-01 3.92 -2.762510874e-01 -5.558036817e-01 -6.736253248e-01 3.94 -2.632242607e-01 -5.332063223e-01 -6.468775114e-01 3.96 -2.505301580e-01 -5.116376659e-01 -6.214675097e-01 3.98 -2.381727422e-01 -4.910157498e-01 -5.972938668e-01 4.00 -2.261647105e-01 -4.712653675e-01 -5.742656611e-01 4.02 -2.145262903e-01 -4.523174776e-01 -5.523013641e-01 4.04 -2.032830176e-01 -4.341087403e-01 -5.313277822e-01 4.06 -1.924626212e-01 -4.165812105e-01 -5.112790902e-01 4.08 -1.820913646e-01 -3.996822083e-01 -4.920959580e-01 4.10 -1.721903787e-01 -3.833643777e-01 -4.737247683e-01 4.12 -1.627725698e-01 -3.675859317e-01 -4.561169195e-01 4.14 -1.538405939e-01 -3.523110550e-01 -4.392282085e-01 4.16 -1.453861639e-01 -3.375104125e-01 -4.230182843e-01 4.18 -1.373906886e-01 -3.231616715e-01 -4.074501657e-01 4.20 -1.298270053e-01 -3.092499086e-01 -3.924898162e-01 4.22 -1.226618345e-01 -2.957677467e-01 -3.781057683e-01 4.24 -1.158585531e-01 -2.827150619e-01 -3.642687919e-01 4.26 -1.093799483e-01 -2.700981300e-01 -3.509516001e-01 4.28 -1.031907054e-01 -2.579281572e-01 -3.381285876e-01 4.30 -9.725948392e-02 -2.462192487e-01 -3.257755976e-01 4.32 -9.156050339e-02 -2.349859968e-01 -3.138697116e-01 4.34 -8.607460009e-02 -2.242409714e-01 -3.023890605e-01 4.36 -8.078972762e-02 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-2.292221949e-02 -9.367887609e-02 -1.391286313e-01 4.74 -2.143449822e-02 -8.884766396e-02 -1.321052423e-01 4.76 -2.002920531e-02 -8.406725956e-02 -1.251216583e-01 4.78 -1.869359689e-02 -7.932870718e-02 -1.181706567e-01 4.80 -1.741716080e-02 -7.462683442e-02 -1.112496046e-01 4.82 -1.619157383e-02 -6.996068630e-02 -1.043612852e-01 4.84 -1.501066192e-02 -6.533388904e-02 -9.751459721e-02 4.86 -1.387033241e-02 -6.075486998e-02 -9.072501555e-02 4.88 -1.276845010e-02 -5.623685127e-02 -8.401469506e-02 4.90 -1.170465027e-02 -5.179754557e-02 -7.741210987e-02 4.92 -1.068008344e-02 -4.745850503e-02 -7.095115816e-02 4.94 -9.697093278e-03 -4.324411490e-02 -6.466972038e-02 4.96 -8.758838531e-03 -3.918016415e-02 -5.860773730e-02 4.98 -7.868880652e-03 -3.529244523e-02 -5.280495330e-02 5.00 -7.030767615e-03 -3.160531078e-02 -4.729854154e-02 5.02 -6.247649162e-03 -2.813995670e-02 -4.212086209e-02 5.04 -5.521957104e-03 -2.491316182e-02 -3.729759378e-02 5.06 -4.855176607e-03 -2.193641145e-02 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-1.295997391e-03 -1.941971009e-03 5.44 -2.409374856e-04 -1.095870840e-03 -1.642084280e-03 5.46 -2.037660961e-04 -9.267991904e-04 -1.388733969e-03 5.48 -1.723738426e-04 -7.840085929e-04 -1.174766334e-03 5.50 -1.458661609e-04 -6.634333914e-04 -9.940888276e-04 5.52 -1.234834217e-04 -5.616203049e-04 -8.415265507e-04 5.54 -1.045819455e-04 -4.756425641e-04 -7.126935420e-04 5.56 -8.861723512e-05 -4.030239740e-04 -6.038792433e-04 5.58 -7.512931559e-05 -3.416724525e-04 -5.119485132e-04 5.60 -6.373002075e-05 -2.898223496e-04 -4.342554635e-04 5.62 -5.409204093e-05 -2.459847237e-04 -3.685688734e-04 5.64 -4.593953790e-05 -2.089047117e-04 -3.130083048e-04 5.66 -3.904013778e-05 -1.775251436e-04 -2.659895756e-04 5.68 -3.319812372e-05 -1.509555996e-04 -2.261783880e-04 5.70 -2.824866528e-05 -1.284461712e-04 -1.924510085e-04 5.72 -2.405293775e-05 -1.093652662e-04 -1.638610048e-04 5.74 -2.049400192e-05 -9.318086663e-05 -1.396111611e-04 5.76 -1.747333080e-05 -7.944472932e-05 -1.190297997e-04 5.78 -1.490788507e-05 -6.777907985e-05 -1.015508419e-04 5.80 -1.272765262e-05 -5.786541801e-05 -8.669703183e-05 5.82 -1.087357987e-05 -4.943510497e-05 -7.406583107e-05 5.84 -9.295833259e-06 -4.226145218e-05 -6.331756323e-05 5.86 -7.952338414e-06 -3.615307436e-05 -5.416545316e-05 5.88 -6.807552999e-06 -3.094830508e-05 -4.636725862e-05 5.90 -5.831435693e-06 -2.651050525e-05 -3.971823984e-05 5.92 -4.998579927e-06 -2.272412120e-05 -3.404525261e-05 5.94 -4.287485880e-06 -1.949137206e-05 -2.920178416e-05 5.96 -3.679948505e-06 -1.672946506e-05 -2.506378047e-05 5.98 -3.160542917e-06 -1.436825407e-05 -2.152613745e-05 6.00 -2.716191482e-06 -1.234826982e-05 -1.849974939e-05