# 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 = Pt3W # 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 5.659867382e+02 nan nan 1.16 5.262185352e+02 nan nan 1.18 4.893001381e+02 nan nan 1.20 4.549641883e+02 nan nan 1.22 4.229852636e+02 nan nan 1.24 3.931751355e+02 nan nan 1.26 3.653780252e+02 nan nan 1.28 3.394584795e+02 5.005563470e+02 5.636470568e+02 1.30 3.152941090e+02 4.680394139e+02 5.276889456e+02 1.32 2.927770768e+02 4.375565444e+02 4.940629990e+02 1.34 2.718109345e+02 4.089858395e+02 4.626220930e+02 1.36 2.522975667e+02 3.822263064e+02 4.332393794e+02 1.38 2.341268173e+02 3.571858600e+02 4.057929055e+02 1.40 2.171803878e+02 3.337754107e+02 3.801518366e+02 1.42 2.013448693e+02 3.119082285e+02 3.561752089e+02 1.44 1.865211256e+02 2.914968312e+02 3.337200566e+02 1.46 1.726249073e+02 2.724462662e+02 3.126505293e+02 1.48 1.595830698e+02 2.546515970e+02 2.928450853e+02 1.50 1.473311621e+02 2.380031799e+02 2.742010777e+02 1.52 1.358134453e+02 2.223942152e+02 2.566362484e+02 1.54 1.249832383e+02 2.077253235e+02 2.400870821e+02 1.56 1.148022609e+02 1.939066627e+02 2.245033926e+02 1.58 1.052386854e+02 1.808596940e+02 2.098402825e+02 1.60 9.626360409e+01 1.685186156e+02 1.960517648e+02 1.62 8.784661350e+01 1.568301578e+02 1.830888401e+02 1.64 7.995278732e+01 1.457510320e+02 1.709001832e+02 1.66 7.254282068e+01 1.352441981e+02 1.594326326e+02 1.68 6.557638160e+01 1.252764805e+02 1.486314912e+02 1.70 5.901566418e+01 1.158188269e+02 1.384419536e+02 1.72 5.283039041e+01 1.068475913e+02 1.288114680e+02 1.74 4.712061255e+01 9.834419119e+01 1.196916969e+02 1.76 4.191927212e+01 9.029253132e+01 1.110394879e+02 1.78 3.718516885e+01 8.267606771e+01 1.028174080e+02 1.80 3.287981871e+01 7.547649690e+01 9.499442821e+01 1.82 2.896616718e+01 6.867433788e+01 8.754644557e+01 1.84 2.540870828e+01 6.225061215e+01 8.045568040e+01 1.86 2.217446971e+01 5.618739003e+01 7.370849262e+01 1.88 1.923395792e+01 5.051045100e+01 6.729262041e+01 1.90 1.656141500e+01 4.531461538e+01 6.119403628e+01 1.92 1.413435172e+01 4.058740888e+01 5.539701007e+01 1.94 1.193273034e+01 3.628931015e+01 4.992314207e+01 1.96 9.938204163e+00 3.238198576e+01 4.487912252e+01 1.98 8.133644294e+00 2.882842378e+01 4.024530840e+01 2.00 6.502979429e+00 2.559354236e+01 3.599402848e+01 2.02 5.031234253e+00 2.264495935e+01 3.209959477e+01 2.04 3.704603527e+00 1.995358558e+01 2.853695881e+01 2.06 2.510437714e+00 1.749384214e+01 2.528109836e+01 2.08 1.437109110e+00 1.524349303e+01 2.230718931e+01 2.10 4.738240270e-01 1.318321113e+01 1.959125510e+01 2.12 -3.895132096e-01 1.129603527e+01 1.711088605e+01 2.14 -1.162321924e+00 9.566864978e+00 1.484571948e+01 2.16 -1.853278815e+00 7.982094335e+00 1.277754396e+01 2.18 -2.470246163e+00 6.529413912e+00 1.089006034e+01 2.20 -3.020257900e+00 5.197735302e+00 9.168460354e+00 2.22 -3.509567393e+00 3.977159494e+00 7.599028791e+00 2.24 -3.943722513e+00 2.858926392e+00 6.168915868e+00 2.26 -4.327638746e+00 1.835322323e+00 4.866102270e+00 2.28 -4.665663927e+00 8.995533711e-01 3.679477980e+00 2.30 -4.961590935e+00 4.560365673e-02 2.598931987e+00 2.32 -5.218812928e+00 -7.319046800e-01 1.615387277e+00 2.34 -5.440425925e+00 -1.437839955e+00 7.207642779e-01 2.36 -5.629211717e+00 -2.076673617e+00 -9.211491997e-02 2.38 -5.787705508e+00 -2.652576222e+00 -8.296614165e-01 2.40 -5.918253771e+00 -3.169497142e+00 -1.497674021e+00 2.42 -6.023056181e+00 -3.631228758e+00 -2.101493154e+00 2.44 -6.104186605e+00 -4.041456285e+00 -2.646130196e+00 2.46 -6.164652785e+00 -4.403795801e+00 -3.136348488e+00 2.48 -6.209813478e+00 -4.721824526e+00 -3.576683091e+00 2.50 -6.240351185e+00 -4.999086987e+00 -3.971406672e+00 2.52 -6.256542333e+00 -5.239076522e+00 -4.324467430e+00 2.54 -6.258798420e+00 -5.445401784e+00 -4.639430521e+00 2.56 -6.247702612e+00 -5.621604051e+00 -4.919445487e+00 2.58 -6.224040970e+00 -5.771039032e+00 -5.167246926e+00 2.60 -6.188803941e+00 -5.896761896e+00 -5.385135410e+00 2.62 -6.143143272e+00 -6.001432793e+00 -5.575105012e+00 2.64 -6.088288042e+00 -6.087272420e+00 -5.738954672e+00 2.66 -6.025441467e+00 -6.156916320e+00 -5.878258059e+00 2.68 -5.955687514e+00 -6.212331504e+00 -5.994435430e+00 2.70 -5.879928932e+00 -6.255438408e+00 -6.088829384e+00 2.72 -5.798863008e+00 -6.287732036e+00 -6.162782196e+00 2.74 -5.712988432e+00 -6.309044528e+00 -6.217708993e+00 2.76 -5.622631818e+00 -6.319292522e+00 -6.256916153e+00 2.78 -5.527984022e+00 -6.318468505e+00 -6.284108793e+00 2.80 -5.429139756e+00 -6.306630912e+00 -6.299968203e+00 2.82 -5.326136137e+00 -6.283897785e+00 -6.305369627e+00 2.84 -5.218987079e+00 -6.250447081e+00 -6.301337529e+00 2.86 -5.107711377e+00 -6.206525487e+00 -6.288934589e+00 2.88 -4.992353891e+00 -6.152465852e+00 -6.269154857e+00 2.90 -4.873000522e+00 -6.088710862e+00 -6.242842482e+00 2.92 -4.749788805e+00 -6.015837580e+00 -6.210648535e+00 2.94 -4.622915891e+00 -5.934574843e+00 -6.173026085e+00 2.96 -4.492645301e+00 -5.845804401e+00 -6.130253918e+00 2.98 -4.359312998e+00 -5.750538730e+00 -6.082475514e+00 3.00 -4.223332245e+00 -5.649873825e+00 -6.029741124e+00 3.02 -4.085196035e+00 -5.544922831e+00 -5.972045308e+00 3.04 -3.945475379e+00 -5.436742882e+00 -5.909356264e+00 3.06 -3.804811829e+00 -5.326270000e+00 -5.841636571e+00 3.08 -3.663903168e+00 -5.214273922e+00 -5.768856556e+00 3.10 -3.523482221e+00 -5.101338497e+00 -5.691002036e+00 3.12 -3.384289993e+00 -4.987865997e+00 -5.608078108e+00 3.14 -3.247045508e+00 -4.874099145e+00 -5.520110386e+00 3.16 -3.112415559e+00 -4.760152838e+00 -5.427144828e+00 3.18 -2.981013403e+00 -4.646048795e+00 -5.329247100e+00 3.20 -2.853661898e+00 -4.531748302e+00 -5.226502360e+00 3.22 -2.731161946e+00 -4.417180698e+00 -5.119016298e+00 3.24 -2.614030646e+00 -4.302266889e+00 -5.006918161e+00 3.26 -2.502538181e+00 -4.186938217e+00 -4.890366404e+00 3.28 -2.396755240e+00 -4.071151382e+00 -4.769557254e+00 3.30 -2.296600148e+00 -3.954900079e+00 -4.644736078e+00 3.32 -2.201882104e+00 -3.838223798e+00 -4.516210805e+00 3.34 -2.112338297e+00 -3.721213908e+00 -4.384365894e+00 3.36 -2.027663981e+00 -3.604016919e+00 -4.249674584e+00 3.38 -1.947535458e+00 -3.486834666e+00 -4.112706538e+00 3.40 -1.871626723e+00 -3.369931433e+00 -3.974127851e+00 3.42 -1.799620690e+00 -3.253646113e+00 -3.834690990e+00 3.44 -1.731216162e+00 -3.138349148e+00 -3.695213577e+00 3.46 -1.666131518e+00 -3.024424515e+00 -3.556547052e+00 3.48 -1.604106126e+00 -2.912259298e+00 -3.419538374e+00 3.50 -1.544900156e+00 -2.802365654e+00 -3.284989614e+00 3.52 -1.488293423e+00 -2.695394277e+00 -3.153620818e+00 3.54 -1.434083638e+00 -2.591879875e+00 -3.026041012e+00 3.56 -1.382084449e+00 -2.492218310e+00 -2.902868615e+00 3.58 -1.332123432e+00 -2.396671846e+00 -2.784857610e+00 3.60 -1.284040226e+00 -2.305380036e+00 -2.672517342e+00 3.62 -1.237684916e+00 -2.218374794e+00 -2.566093692e+00 3.64 -1.192916758e+00 -2.135597965e+00 -2.465620208e+00 3.66 -1.149603324e+00 -2.056919734e+00 -2.370968298e+00 3.68 -1.107620129e+00 -1.982156481e+00 -2.281892860e+00 3.70 -1.066850801e+00 -1.911087097e+00 -2.198071392e+00 3.72 -1.027187804e+00 -1.843467142e+00 -2.119135979e+00 3.74 -9.885337363e-01 -1.779040620e+00 -2.044698378e+00 3.76 -9.508031282e-01 -1.717549363e+00 -1.974368966e+00 3.78 -9.139246096e-01 -1.658740221e+00 -1.907770481e+00 3.80 -8.778432349e-01 -1.602370317e+00 -1.844547505e+00 3.82 -8.425226321e-01 -1.548210664e+00 -1.784372549e+00 3.84 -8.079465615e-01 -1.496048443e+00 -1.726949455e+00 3.86 -7.741194085e-01 -1.445688207e+00 -1.672014715e+00 3.88 -7.410651462e-01 -1.396952280e+00 -1.619337186e+00 3.90 -7.088244230e-01 -1.349680596e+00 -1.568716601e+00 3.92 -6.774496686e-01 -1.303730200e+00 -1.519981230e+00 3.94 -6.469984576e-01 -1.258974656e+00 -1.472984996e+00 3.96 -6.175257254e-01 -1.215303506e+00 -1.427604254e+00 3.98 -5.890757974e-01 -1.172622009e+00 -1.383734539e+00 4.00 -5.616752987e-01 -1.130851208e+00 -1.341287374e+00 4.02 -5.353279671e-01 -1.089928381e+00 -1.300187315e+00 4.04 -5.100120754e-01 -1.049807817e+00 -1.260369290e+00 4.06 -4.856807271e-01 -1.010461765e+00 -1.221776293e+00 4.08 -4.622648237e-01 -9.718813029e-01 -1.184357432e+00 4.10 -4.396781505e-01 -9.340767908e-01 -1.148066322e+00 4.12 -4.178238407e-01 -8.970775872e-01 -1.112859785e+00 4.14 -3.966014695e-01 -8.609305594e-01 -1.078696823e+00 4.16 -3.759141414e-01 -8.256973138e-01 -1.045537818e+00 4.18 -3.556750843e-01 -7.914499503e-01 -1.013343910e+00 4.20 -3.358134042e-01 -7.582655745e-01 -9.820765266e-01 4.22 -3.162787569e-01 -7.262199847e-01 -9.516970104e-01 4.24 -2.970446787e-01 -6.953811637e-01 -9.221663398e-01 4.26 -2.781104140e-01 -6.658032961e-01 -8.934449017e-01 4.28 -2.595010031e-01 -6.375219842e-01 -8.654923098e-01 4.30 -2.412655072e-01 -6.105511535e-01 -8.382672550e-01 4.32 -2.234733547e-01 -5.848818677e-01 -8.117273804e-01 4.34 -2.062089792e-01 -5.604829836e-01 -7.858291815e-01 4.36 -1.895651470e-01 -5.373033364e-01 -7.605279301e-01 4.38 -1.736355937e-01 -5.152749947e-01 -7.357776312e-01 4.40 -1.585076815e-01 -4.943170837e-01 -7.115310201e-01 4.42 -1.442558864e-01 -4.743397232e-01 -6.877396148e-01 4.44 -1.309367326e-01 -4.552477292e-01 -6.643538397e-01 4.46 -1.185856098e-01 -4.369438619e-01 -6.413232438e-01 4.48 -1.072156132e-01 -4.193315187e-01 -6.185968364e-01 4.50 -9.681826550e-02 -4.023168758e-01 -5.961235688e-01 4.52 -8.736576563e-02 -3.858105462e-01 -5.738529836e-01 4.54 -7.881428713e-02 -3.697288599e-01 -5.517361085e-01 4.56 -7.110782332e-02 -3.539948876e-01 -5.297264925e-01 4.58 -6.418213224e-02 -3.385393192e-01 -5.077815756e-01 4.60 -5.796843519e-02 -3.233012915e-01 -4.858642574e-01 4.62 -5.239664232e-02 -3.082292287e-01 -4.639447009e-01 4.64 -4.739798879e-02 -2.932817249e-01 -4.420023119e-01 4.66 -4.290705345e-02 -2.784284594e-01 -4.200278066e-01 4.68 -3.886319353e-02 -2.636510943e-01 -3.980252391e-01 4.70 -3.521146075e-02 -2.489440653e-01 -3.760138172e-01 4.72 -3.190308397e-02 -2.343151470e-01 -3.540292986e-01 4.74 -2.889559866e-02 -2.197856482e-01 -3.321247397e-01 4.76 -2.615257201e-02 -2.053900951e-01 -3.103703743e-01 4.78 -2.364336592e-02 -1.911752772e-01 -2.888524408e-01 4.80 -2.134295285e-02 -1.771985776e-01 -2.676708529e-01 4.82 -1.923082027e-02 -1.635255923e-01 -2.469357290e-01 4.84 -1.729031467e-02 -1.502270968e-01 -2.267629275e-01 4.86 -1.550795032e-02 -1.373755670e-01 -2.072688802e-01 4.88 -1.387271412e-02 -1.250414833e-01 -1.885651280e-01 4.90 -1.237540966e-02 -1.132897255e-01 -1.707530286e-01 4.92 -1.100807510e-02 -1.021763627e-01 -1.539191028e-01 4.94 -9.763496592e-03 -9.174610130e-02 -1.381314162e-01 4.96 -8.634831807e-03 -8.203057527e-02 -1.234372604e-01 4.98 -7.615378916e-03 -7.304756089e-02 -1.098622422e-01 5.00 -6.698400894e-03 -6.480109266e-02 -9.741072272e-02 5.02 -5.877059163e-03 -5.728236528e-02 -8.606741748e-02 5.04 -5.144420404e-03 -5.047124400e-02 -7.579987343e-02 5.06 -4.494005260e-03 -4.433817187e-02 -6.656150349e-02 5.08 -3.920340671e-03 -3.884627120e-02 -5.829486379e-02 5.10 -3.415469757e-03 -3.395348033e-02 -5.093490345e-02 5.12 -2.971935876e-03 -2.961451024e-02 -4.441197891e-02 5.14 -2.583014743e-03 -2.578259523e-02 -3.865449463e-02 5.16 -2.242625404e-03 -2.241113160e-02 -3.359109347e-02 5.18 -1.945263243e-03 -1.945577021e-02 -2.915237569e-02 5.20 -1.685948886e-03 -1.687216496e-02 -2.527222467e-02 5.22 -1.460187531e-03 -1.461861824e-02 -2.188864327e-02 5.24 -1.263934381e-03 -1.265684875e-02 -1.894428865e-02 5.26 -1.093563234e-03 -1.095214598e-02 -1.638728275e-02 5.28 -9.458364125e-04 -9.473442192e-03 -1.417189519e-02 5.30 -8.178751706e-04 -8.192161233e-03 -1.225396914e-02 5.32 -7.071303257e-04 -7.082919321e-03 -1.059438289e-02 5.34 -6.113532429e-04 -6.123329684e-03 -9.158932336e-03 5.36 -5.285674907e-04 -5.293708243e-03 -7.918016316e-03 5.38 -4.570415317e-04 -4.576797754e-03 -6.845743321e-03 5.40 -3.952627857e-04 -3.957509893e-03 -5.919503565e-03 5.42 -3.419133288e-04 -3.422685588e-03 -5.119594585e-03 5.44 -2.958474095e-04 -2.960874034e-03 -4.428881054e-03 5.46 -2.560708745e-04 -2.562130610e-03 -3.832486796e-03 5.48 -2.217225227e-04 -2.217833593e-03 -3.317517342e-03 5.50 -1.920573530e-04 -1.920519163e-03 -2.872811303e-03 5.52 -1.664316200e-04 -1.663733908e-03 -2.488718802e-03 5.54 -1.442895876e-04 -1.441903777e-03 -2.156904452e-03 5.56 -1.251518512e-04 -1.250218279e-03 -1.870176234e-03 5.58 -1.086050882e-04 -1.084528636e-03 -1.622329616e-03 5.60 -9.429309884e-05 -9.412585729e-04 -1.408016590e-03 5.62 -8.190900076e-05 -8.173264543e-04 -1.222628637e-03 5.64 -7.118844620e-05 -7.100775235e-04 -1.062195456e-03 5.66 -6.190374343e-05 -6.172250868e-04 -9.232970541e-04 5.68 -5.385877070e-05 -5.367995704e-04 -8.029876103e-04 5.70 -4.688458334e-05 -4.671044740e-04 -6.987296377e-04 5.72 -4.083562465e-05 -4.066783464e-04 -6.083371467e-04 5.74 -3.558646083e-05 -3.542619975e-04 -5.299266296e-04 5.76 -3.102897011e-05 -3.087702550e-04 -4.618748367e-04 5.78 -2.706992434e-05 -2.692676541e-04 -4.027824280e-04 5.80 -2.362890940e-05 -2.349475252e-04 -3.514427047e-04 5.82 -2.063653751e-05 -2.051140134e-04 -3.068147206e-04 5.84 -1.803291077e-05 -1.791666226e-04 -2.680001692e-04 5.86 -1.576630102e-05 -1.565869331e-04 -2.342235183e-04 5.88 -1.379201525e-05 -1.369271879e-04 -2.048149392e-04 5.90 -1.207142072e-05 -1.198004845e-04 -1.791956371e-04 5.92 -1.057110707e-05 -1.048723463e-04 -1.568652434e-04 5.94 -9.262166024e-06 -9.185347829e-05 -1.373909792e-04 5.96 -8.119572140e-06 -8.049353940e-05 -1.203983402e-04 5.98 -7.121650143e-06 -7.057578734e-05 -1.055630852e-04 6.00 -6.249616711e-06 -6.191247278e-05 -9.260434672e-05