# 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 = AgPb # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 0.86 nan nan nan nan nan nan nan nan 0.88 nan nan nan nan nan nan nan nan 0.90 nan nan nan nan nan nan nan nan 0.92 nan nan nan nan nan nan nan nan 0.94 nan nan nan nan nan nan nan nan 0.96 nan nan nan nan nan nan nan nan 0.98 nan nan nan nan nan nan nan nan 1.00 nan nan nan nan 4.133954578e+02 4.133954578e+02 nan nan 1.02 nan nan nan nan 3.809204126e+02 3.809204126e+02 nan nan 1.04 nan nan nan nan 3.512400973e+02 3.512400973e+02 nan nan 1.06 nan nan nan nan 3.240803099e+02 3.240803099e+02 nan nan 1.08 nan nan nan nan 2.991970539e+02 2.991970539e+02 nan nan 1.10 nan nan nan nan 2.763729000e+02 2.763729000e+02 nan nan 1.12 4.388189495e+02 4.388189495e+02 nan nan 2.554145857e+02 2.554145857e+02 nan nan 1.14 4.068254135e+02 4.068254135e+02 nan nan 2.361505592e+02 2.361505592e+02 nan nan 1.16 3.773310707e+02 3.773310707e+02 nan nan 2.184271604e+02 2.184271604e+02 nan nan 1.18 3.501164341e+02 3.501164341e+02 nan nan 2.021050240e+02 2.021050240e+02 nan nan 1.20 3.249846405e+02 3.249846405e+02 nan nan 1.870581038e+02 1.870581038e+02 nan nan 1.22 3.017594648e+02 3.017594648e+02 nan nan 1.731737957e+02 1.731737957e+02 nan nan 1.24 2.802823964e+02 2.802823964e+02 nan nan 1.603518171e+02 1.603518171e+02 nan nan 1.26 2.604091672e+02 2.604091672e+02 nan nan 1.485021273e+02 1.485021273e+02 nan nan 1.28 2.420074715e+02 2.420074715e+02 3.489485297e+02 3.489485297e+02 1.375431242e+02 1.375431242e+02 3.763680454e+02 3.763680454e+02 1.30 2.249560508e+02 2.249560508e+02 3.253800668e+02 3.253800668e+02 1.274005466e+02 1.274005466e+02 3.512406529e+02 3.512406529e+02 1.32 2.091440086e+02 2.091440086e+02 3.034807594e+02 3.034807594e+02 1.180068162e+02 1.180068162e+02 3.278736321e+02 3.278736321e+02 1.34 1.944700582e+02 1.944700582e+02 2.831186374e+02 2.831186374e+02 1.093004038e+02 1.093004038e+02 3.061305955e+02 3.061305955e+02 1.36 1.808420481e+02 1.808420481e+02 2.641724731e+02 2.641724731e+02 1.012335307e+02 1.012335307e+02 2.858878828e+02 2.858878828e+02 1.38 1.681768054e+02 1.681768054e+02 2.465310075e+02 2.465310075e+02 9.377185159e+01 9.377185159e+01 2.670324971e+02 2.670324971e+02 1.40 1.563995230e+02 1.563995230e+02 2.300926734e+02 2.300926734e+02 8.686593808e+01 8.686593808e+01 2.494605127e+02 2.494605127e+02 1.42 1.454424816e+02 1.454424816e+02 2.147655927e+02 2.147655927e+02 8.047058504e+01 8.047058504e+01 2.330761423e+02 2.330761423e+02 1.44 1.352436697e+02 1.352436697e+02 2.004671792e+02 2.004671792e+02 7.454535546e+01 7.454535546e+01 2.177912381e+02 2.177912381e+02 1.46 1.257459260e+02 1.257459260e+02 1.871231268e+02 1.871231268e+02 6.905393563e+01 6.905393563e+01 2.035248260e+02 2.035248260e+02 1.48 1.168965548e+02 1.168965548e+02 1.746660364e+02 1.746660364e+02 6.396334419e+01 6.396334419e+01 1.902025300e+02 1.902025300e+02 1.50 1.086472020e+02 1.086472020e+02 1.630339692e+02 1.630339692e+02 5.924327429e+01 5.924327429e+01 1.777559426e+02 1.777559426e+02 1.52 1.009536731e+02 1.009536731e+02 1.521691991e+02 1.521691991e+02 5.486565904e+01 5.486565904e+01 1.661220846e+02 1.661220846e+02 1.54 9.377552202e+01 9.377552202e+01 1.420175326e+02 1.420175326e+02 5.080443577e+01 5.080443577e+01 1.552429233e+02 1.552429233e+02 1.56 8.708637015e+01 8.708637015e+01 1.325281390e+02 1.325281390e+02 4.703542010e+01 4.703542010e+01 1.450649626e+02 1.450649626e+02 1.58 8.086170006e+01 8.086170006e+01 1.236536734e+02 1.236536734e+02 4.353624858e+01 4.353624858e+01 1.355389321e+02 1.355389321e+02 1.60 7.506733829e+01 7.506733829e+01 1.153503801e+02 1.153503801e+02 4.028633646e+01 4.028633646e+01 1.266195187e+02 1.266195187e+02 1.62 6.967195902e+01 6.967195902e+01 1.075781215e+02 1.075781215e+02 3.726685468e+01 3.726685468e+01 1.182650725e+02 1.182650725e+02 1.64 6.464712098e+01 6.464712098e+01 1.003002656e+02 1.003002656e+02 3.446067348e+01 3.446067348e+01 1.104372447e+02 1.104372447e+02 1.66 5.996706837e+01 5.996706837e+01 9.348347651e+01 9.348347651e+01 3.185226342e+01 3.185226342e+01 1.031005941e+02 1.031005941e+02 1.68 5.560829465e+01 5.560829465e+01 8.709786237e+01 8.709786237e+01 2.942749539e+01 2.942749539e+01 9.622225517e+01 9.622225517e+01 1.70 5.154904852e+01 5.154904852e+01 8.112808824e+01 8.112808824e+01 2.717337007e+01 2.717337007e+01 8.977168768e+01 8.977168768e+01 1.72 4.776894783e+01 4.776894783e+01 7.555235613e+01 7.555235613e+01 2.507774932e+01 2.507774932e+01 8.372623295e+01 8.372623295e+01 1.74 4.424878155e+01 4.424878155e+01 7.034399993e+01 7.034399993e+01 2.312917647e+01 2.312917647e+01 7.807109016e+01 7.807109016e+01 1.76 4.097045223e+01 4.097045223e+01 6.547778667e+01 6.547778667e+01 2.131681378e+01 2.131681378e+01 7.278056412e+01 7.278056412e+01 1.78 3.791696541e+01 3.791696541e+01 6.092997475e+01 6.092997475e+01 1.963047275e+01 1.963047275e+01 6.783033166e+01 6.783033166e+01 1.80 3.507242323e+01 3.507242323e+01 5.667840368e+01 5.667840368e+01 1.806069445e+01 1.806069445e+01 6.319785916e+01 6.319785916e+01 1.82 3.242201911e+01 3.242201911e+01 5.270257030e+01 5.270257030e+01 1.659884069e+01 1.659884069e+01 5.886228109e+01 5.886228109e+01 1.84 2.995203265e+01 2.995203265e+01 4.898364485e+01 4.898364485e+01 1.523712777e+01 1.523712777e+01 5.480424554e+01 5.480424554e+01 1.86 2.764981245e+01 2.764981245e+01 4.550439711e+01 4.550439711e+01 1.396857552e+01 1.396857552e+01 5.100576413e+01 5.100576413e+01 1.88 2.550374943e+01 2.550374943e+01 4.224905680e+01 4.224905680e+01 1.278689755e+01 1.278689755e+01 4.745007298e+01 4.745007298e+01 1.90 2.350321458e+01 2.350321458e+01 3.920312709e+01 3.920312709e+01 1.168637109e+01 1.168637109e+01 4.412153390e+01 4.412153390e+01 1.92 2.163846240e+01 2.163846240e+01 3.635319767e+01 3.635319767e+01 1.066172634e+01 1.066172634e+01 4.100554883e+01 4.100554883e+01 1.94 1.990051122e+01 1.990051122e+01 3.368682608e+01 3.368682608e+01 9.708076802e+00 9.708076802e+00 3.808846598e+01 3.808846598e+01 1.96 1.828099954e+01 1.828099954e+01 3.119244826e+01 3.119244826e+01 8.820864947e+00 8.820864947e+00 3.535748841e+01 3.535748841e+01 1.98 1.677206540e+01 1.677206540e+01 2.885931513e+01 2.885931513e+01 7.995820532e+00 7.995820533e+00 3.280060067e+01 3.280060067e+01 2.00 1.536625865e+01 1.536625865e+01 2.667740732e+01 2.667740732e+01 7.228918311e+00 7.228918311e+00 3.040652989e+01 3.040652989e+01 2.02 1.405650015e+01 1.405650015e+01 2.463732702e+01 2.463732702e+01 6.516341242e+00 6.516341242e+00 2.816473251e+01 2.816473251e+01 2.04 1.283608570e+01 1.283608570e+01 2.273019129e+01 2.273019129e+01 5.854458041e+00 5.854458041e+00 2.606539761e+01 2.606539761e+01 2.06 1.169872641e+01 1.169872641e+01 2.094756674e+01 2.094756674e+01 5.239820244e+00 5.239820244e+00 2.409944201e+01 2.409944201e+01 2.08 1.063860435e+01 1.063860435e+01 1.928146146e+01 1.928146146e+01 4.669173237e+00 4.669173237e+00 2.225848711e+01 2.225848711e+01 2.10 9.650413386e+00 9.650413386e+00 1.772434402e+01 1.772434402e+01 4.139466580e+00 4.139466580e+00 2.053480957e+01 2.053480957e+01 2.12 8.729363339e+00 8.729363339e+00 1.626917279e+01 1.626917279e+01 3.647858093e+00 3.647858093e+00 1.892127214e+01 1.892127214e+01 2.14 7.871134512e+00 7.871134512e+00 1.490939545e+01 1.490939545e+01 3.191703073e+00 3.191703073e+00 1.741124400e+01 1.741124400e+01 2.16 7.071808509e+00 7.071808509e+00 1.363892741e+01 1.363892741e+01 2.768540908e+00 2.768540908e+00 1.599852139e+01 1.599852139e+01 2.18 6.327788061e+00 6.327788061e+00 1.245211656e+01 1.245211656e+01 2.376084109e+00 2.376084109e+00 1.467726149e+01 1.467726149e+01 2.20 5.635722465e+00 5.635722465e+00 1.134370181e+01 1.134370181e+01 2.012215970e+00 2.012215970e+00 1.344193645e+01 1.344193645e+01 2.22 4.992454763e+00 4.992454763e+00 1.030878045e+01 1.030878045e+01 1.674990913e+00 1.674990913e+00 1.228730235e+01 1.228730235e+01 2.24 4.394978697e+00 4.394978697e+00 9.342779973e+00 9.342779973e+00 1.362632883e+00 1.362632883e+00 1.120838310e+01 1.120838310e+01 2.26 3.840415865e+00 3.840415865e+00 8.441433947e+00 8.441433947e+00 1.073525632e+00 1.073525632e+00 1.020046455e+01 1.020046455e+01 2.28 3.326007599e+00 3.326007599e+00 7.600760381e+00 7.600760381e+00 8.061946296e-01 8.061946296e-01 9.259092335e+00 9.259092335e+00 2.30 2.849119365e+00 2.849119365e+00 6.817035693e+00 6.817035693e+00 5.592848686e-01 5.592848686e-01 8.380069905e+00 8.380069905e+00 2.32 2.407252811e+00 2.407252811e+00 6.086765929e+00 6.086765929e+00 3.315341610e-01 3.315341610e-01 7.559451998e+00 7.559451998e+00 2.34 1.998058225e+00 1.998058225e+00 5.406667730e+00 5.406667730e+00 1.217579310e-01 1.217579310e-01 6.793536850e+00 6.793536850e+00 2.36 1.619342735e+00 1.619342735e+00 4.773637453e+00 4.773637453e+00 -7.117080446e-02 -7.117080446e-02 6.078858677e+00 6.078858677e+00 2.38 1.269066716e+00 1.269066716e+00 4.184731157e+00 4.184731157e+00 -2.483311559e-01 -2.483311559e-01 5.412179125e+00 5.412179125e+00 2.40 9.453415517e-01 9.453415517e-01 3.637149062e+00 3.637149062e+00 -4.107592358e-01 -4.107592358e-01 4.790480979e+00 4.790480979e+00 2.42 6.464127164e-01 6.464127164e-01 3.128228498e+00 3.128228498e+00 -5.594524997e-01 -5.594524997e-01 4.210955111e+00 4.210955111e+00 2.44 3.706451570e-01 3.706451570e-01 2.655444431e+00 2.655444431e+00 -6.955280588e-01 -6.955280588e-01 3.670985648e+00 3.670985648e+00 2.46 1.165075890e-01 1.165075890e-01 2.216416475e+00 2.216416475e+00 -8.198154136e-01 -8.198154136e-01 3.168132227e+00 3.168132227e+00 2.48 -1.174403288e-01 -1.174403288e-01 1.808916960e+00 1.808916960e+00 -9.329636979e-01 -9.329636979e-01 2.700112498e+00 2.700112498e+00 2.50 -3.325572405e-01 -3.325572405e-01 1.430876259e+00 1.430876259e+00 -1.035597563e+00 -1.035597563e+00 2.264786638e+00 2.264786638e+00 2.52 -5.301211849e-01 -5.301211849e-01 1.080382542e+00 1.080382542e+00 -1.128312679e+00 -1.128312679e+00 1.860145556e+00 1.860145556e+00 2.54 -7.113287591e-01 -7.113287591e-01 7.556751500e-01 7.556751500e-01 -1.211677413e+00 -1.211677413e+00 1.484302971e+00 1.484302971e+00 2.56 -8.772912449e-01 -8.772912449e-01 4.551322086e-01 4.551322086e-01 -1.286238850e+00 -1.286238850e+00 1.135487386e+00 1.135487386e+00 2.58 -1.029032836e+00 -1.029032836e+00 1.772539823e-01 1.772539823e-01 -1.352530277e+00 -1.352530277e+00 8.120385709e-01 8.120385709e-01 2.60 -1.167493142e+00 -1.167493142e+00 -7.935573569e-02 -7.935573569e-02 -1.411077995e+00 -1.411077995e+00 5.123985223e-01 5.123985223e-01 2.62 -1.293533558e+00 -1.293533558e+00 -3.160063991e-01 -3.160063991e-01 -1.462411011e+00 -1.462411011e+00 2.351043263e-01 2.351043263e-01 2.64 -1.407952385e+00 -1.407952385e+00 -5.339385285e-01 -5.339385285e-01 -1.507123642e+00 -1.507123642e+00 -2.122033107e-02 -2.122033107e-02 2.66 -1.511490729e+00 -1.511490729e+00 -7.343260630e-01 -7.343260630e-01 -1.545701717e+00 -1.545701717e+00 -2.578697964e-01 -2.578697964e-01 2.68 -1.604849252e+00 -1.604849252e+00 -9.182842757e-01 -9.182842757e-01 -1.578530808e+00 -1.578530808e+00 -4.760619675e-01 -4.760619675e-01 2.70 -1.688698291e+00 -1.688698291e+00 -1.086868579e+00 -1.086868579e+00 -1.605988664e+00 -1.605988664e+00 -6.769414511e-01 -6.769414511e-01 2.72 -1.763841916e+00 -1.763841916e+00 -1.241073504e+00 -1.241073504e+00 -1.628436663e+00 -1.628436663e+00 -8.615832441e-01 -8.615832441e-01 2.74 -1.830858809e+00 -1.830858809e+00 -1.381832382e+00 -1.381832382e+00 -1.646215194e+00 -1.646215194e+00 -1.030997275e+00 -1.030997275e+00 2.76 -1.890168909e+00 -1.890168909e+00 -1.510018463e+00 -1.510018463e+00 -1.659642456e+00 -1.659642456e+00 -1.186134995e+00 -1.186134995e+00 2.78 -1.942200245e+00 -1.942200245e+00 -1.626447001e+00 -1.626447001e+00 -1.669013437e+00 -1.669013437e+00 -1.327896575e+00 -1.327896575e+00 2.80 -1.987381043e+00 -1.987381043e+00 -1.731879754e+00 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-2.216379259e+00 -1.625903096e+00 -1.625903096e+00 -2.075222689e+00 -2.075222689e+00 2.96 -2.150064828e+00 -2.150064828e+00 -2.256118057e+00 -2.256118057e+00 -1.608807432e+00 -1.608807432e+00 -2.130611623e+00 -2.130611623e+00 2.98 -2.150937319e+00 -2.150937319e+00 -2.289737187e+00 -2.289737187e+00 -1.589743469e+00 -1.589743469e+00 -2.179629421e+00 -2.179629421e+00 3.00 -2.148396796e+00 -2.148396796e+00 -2.317543597e+00 -2.317543597e+00 -1.568906483e+00 -1.568906483e+00 -2.222597458e+00 -2.222597458e+00 3.02 -2.142653266e+00 -2.142653266e+00 -2.339856162e+00 -2.339856162e+00 -1.546500897e+00 -1.546500897e+00 -2.259810231e+00 -2.259810231e+00 3.04 -2.133912159e+00 -2.133912159e+00 -2.357004454e+00 -2.357004454e+00 -1.522740512e+00 -1.522740512e+00 -2.291555776e+00 -2.291555776e+00 3.06 -2.122374784e+00 -2.122374784e+00 -2.369329475e+00 -2.369329475e+00 -1.497845990e+00 -1.497845990e+00 -2.318117042e+00 -2.318117042e+00 3.08 -2.108238053e+00 -2.108238053e+00 -2.377175607e+00 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