# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Williams-P-L-Mishin-Y-Hamilton-J-C--Cu-Ag # implementation = 2006--Williams-P-L--Cu-Ag--LAMMPS--ipr1 # composition = AgCu # 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 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 4.254926524e+02 4.254926524e+02 nan nan 0.84 nan nan nan nan 3.885104935e+02 3.885104935e+02 nan nan 0.86 nan nan nan nan 3.554012495e+02 3.554012495e+02 nan nan 0.88 nan nan nan nan 3.256465272e+02 3.256465272e+02 nan nan 0.90 nan nan nan nan 2.988291460e+02 2.988291460e+02 nan nan 0.92 4.655421602e+02 4.655421602e+02 nan nan 2.745992822e+02 2.745992822e+02 nan nan 0.94 4.280939206e+02 4.280939206e+02 nan nan 2.526515159e+02 2.526515159e+02 nan nan 0.96 3.941535199e+02 3.941535199e+02 nan nan 2.327159413e+02 2.327159413e+02 nan nan 0.98 3.633108662e+02 3.633108662e+02 nan nan 2.145520686e+02 2.145520686e+02 nan nan 1.00 3.352148439e+02 3.352148439e+02 nan nan 1.979464095e+02 1.979464095e+02 nan nan 1.02 3.095667182e+02 3.095667182e+02 nan nan 1.827204307e+02 1.827204307e+02 nan nan 1.04 2.861118025e+02 2.861118025e+02 4.076359645e+02 4.076359645e+02 1.687354064e+02 1.687354064e+02 4.439585204e+02 4.439585204e+02 1.06 2.646223114e+02 2.646223114e+02 3.770312860e+02 3.770312860e+02 1.558740050e+02 1.558740050e+02 4.103217668e+02 4.103217668e+02 1.08 2.448937047e+02 2.448937047e+02 3.489739580e+02 3.489739580e+02 1.440350248e+02 1.440350248e+02 3.794431196e+02 3.794431196e+02 1.10 2.267407118e+02 2.267407118e+02 3.232050182e+02 3.232050182e+02 1.331264091e+02 1.331264091e+02 3.510649365e+02 3.510649365e+02 1.12 2.099975443e+02 2.099975443e+02 2.994949329e+02 2.994949329e+02 1.230630805e+02 1.230630805e+02 3.249577376e+02 3.249577376e+02 1.14 1.945225535e+02 1.945225535e+02 2.776456105e+02 2.776456105e+02 1.137681543e+02 1.137681543e+02 3.009125591e+02 3.009125591e+02 1.16 1.801946834e+02 1.801946834e+02 2.574800234e+02 2.574800234e+02 1.051733143e+02 1.051733143e+02 2.787410857e+02 2.787410857e+02 1.18 1.669121889e+02 1.669121889e+02 2.388442971e+02 2.388442971e+02 9.722010144e+01 9.722010144e+01 2.582782371e+02 2.582782371e+02 1.20 1.545908616e+02 1.545908616e+02 2.216082999e+02 2.216082999e+02 8.986002694e+01 8.986002694e+01 2.393757463e+02 2.393757463e+02 1.22 1.431547952e+02 1.431547952e+02 2.056567248e+02 2.056567248e+02 8.304843657e+01 8.304843657e+01 2.218987058e+02 2.218987058e+02 1.24 1.325355352e+02 1.325355352e+02 1.908786184e+02 1.908786184e+02 7.707982279e+01 7.707982279e+01 2.057261678e+02 2.057261678e+02 1.26 1.226707989e+02 1.226707989e+02 1.771680608e+02 1.771680608e+02 7.228665443e+01 7.228665443e+01 1.907527612e+02 1.907527612e+02 1.28 1.135047032e+02 1.135047032e+02 1.644287542e+02 1.644287542e+02 6.767974322e+01 6.767974322e+01 1.768842046e+02 1.768842046e+02 1.30 1.049872833e+02 1.049872833e+02 1.525778118e+02 1.525778118e+02 6.326665227e+01 6.326665227e+01 1.640346746e+02 1.640346746e+02 1.32 9.707248883e+01 9.707248883e+01 1.415456515e+02 1.415456515e+02 5.905317385e+01 5.905317385e+01 1.521248601e+02 1.521248601e+02 1.34 8.971673800e+01 8.971673800e+01 1.312730800e+02 1.312730800e+02 5.504298893e+01 5.504298893e+01 1.410792162e+02 1.410792162e+02 1.36 8.287927630e+01 8.287927630e+01 1.217059932e+02 1.217059932e+02 5.123540691e+01 5.123540691e+01 1.308250950e+02 1.308250950e+02 1.38 7.652281954e+01 7.652281954e+01 1.127943494e+02 1.127943494e+02 4.762627133e+01 4.762627133e+01 1.212939105e+02 1.212939105e+02 1.40 7.061266790e+01 7.061266790e+01 1.044924652e+02 1.044924652e+02 4.421028201e+01 4.421028201e+01 1.124244727e+02 1.124244727e+02 1.42 6.511487541e+01 6.511487541e+01 9.675788982e+01 9.675788982e+01 4.098220010e+01 4.098220010e+01 1.041641149e+02 1.041641149e+02 1.44 6.092730667e+01 6.092730667e+01 8.955147398e+01 8.955147398e+01 3.793664100e+01 3.793664100e+01 9.646948796e+01 9.646948796e+01 1.46 5.699692181e+01 5.699692181e+01 8.283667022e+01 8.283667022e+01 3.506747318e+01 3.506747318e+01 8.930324687e+01 8.930324687e+01 1.48 5.323321987e+01 5.323321987e+01 7.657824833e+01 7.657824833e+01 3.236793633e+01 3.236793633e+01 8.262985284e+01 8.262985284e+01 1.50 4.963977767e+01 4.963977767e+01 7.074330622e+01 7.074330622e+01 2.983135301e+01 2.983135301e+01 7.641459191e+01 7.641459191e+01 1.52 4.621662394e+01 4.621662394e+01 6.530201098e+01 6.530201098e+01 2.745164663e+01 2.745164663e+01 7.062426244e+01 7.062426244e+01 1.54 4.296152827e+01 4.296152827e+01 6.035245776e+01 6.035245776e+01 2.522339666e+01 2.522339666e+01 6.522824014e+01 6.522824014e+01 1.56 3.987085664e+01 3.987085664e+01 5.665491256e+01 5.665491256e+01 2.314132484e+01 2.314132484e+01 6.021895001e+01 6.021895001e+01 1.58 3.694014322e+01 3.694014322e+01 5.306718001e+01 5.306718001e+01 2.120000032e+01 2.120000032e+01 5.657406709e+01 5.657406709e+01 1.60 3.416451745e+01 3.416451745e+01 4.960695824e+01 4.960695824e+01 1.939352875e+01 1.939352875e+01 5.304490562e+01 5.304490562e+01 1.62 3.153880945e+01 3.153880945e+01 4.628522326e+01 4.628522326e+01 1.771532152e+01 1.771532152e+01 4.964243651e+01 4.964243651e+01 1.64 2.905761695e+01 2.905761695e+01 4.310824703e+01 4.310824703e+01 1.615824043e+01 1.615824043e+01 4.637286407e+01 4.637286407e+01 1.66 2.671528110e+01 2.671528110e+01 4.007912860e+01 4.007912860e+01 1.471475582e+01 1.471475582e+01 4.323877819e+01 4.323877819e+01 1.68 2.450585129e+01 2.450585129e+01 3.719823384e+01 3.719823384e+01 1.337692378e+01 1.337692378e+01 4.024167769e+01 4.024167769e+01 1.70 2.242345139e+01 2.242345139e+01 3.446343313e+01 3.446343313e+01 1.213648473e+01 1.213648473e+01 3.738293182e+01 3.738293182e+01 1.72 2.046289592e+01 2.046289592e+01 3.187052456e+01 3.187052456e+01 1.098489683e+01 1.098489683e+01 3.466294671e+01 3.466294671e+01 1.74 1.862003031e+01 1.862003031e+01 2.941423229e+01 2.941423229e+01 9.913767830e+00 9.913767830e+00 3.208093059e+01 3.208093059e+01 1.76 1.689149601e+01 1.689149601e+01 2.709036137e+01 2.709036137e+01 8.916676901e+00 8.916676901e+00 2.963493853e+01 2.963493853e+01 1.78 1.527399809e+01 1.527399809e+01 2.489553656e+01 2.489553656e+01 7.988914502e+00 7.988914502e+00 2.732211182e+01 2.732211182e+01 1.80 1.376378807e+01 1.376378807e+01 2.282595071e+01 2.282595071e+01 7.126297231e+00 7.126297231e+00 2.513881120e+01 2.513881120e+01 1.82 1.235677230e+01 1.235677230e+01 2.087727057e+01 2.087727057e+01 6.324992228e+00 6.324992228e+00 2.308074121e+01 2.308074121e+01 1.84 1.104858557e+01 1.104858557e+01 1.904471115e+01 1.904471115e+01 5.581403554e+00 5.581403554e+00 2.114310671e+01 2.114310671e+01 1.86 9.834628840e+00 9.834628840e+00 1.732309832e+01 1.732309832e+01 4.892018041e+00 4.892018041e+00 1.932075032e+01 1.932075032e+01 1.88 8.710208470e+00 8.710208470e+00 1.570702565e+01 1.570702565e+01 4.253342844e+00 4.253342844e+00 1.760836674e+01 1.760836674e+01 1.90 7.670673869e+00 7.670673869e+00 1.419107533e+01 1.419107533e+01 3.661964265e+00 3.661964265e+00 1.600071991e+01 1.600071991e+01 1.92 6.711280846e+00 6.711280846e+00 1.277000248e+01 1.277000248e+01 3.114636220e+00 3.114636220e+00 1.449273188e+01 1.449273188e+01 1.94 5.827077761e+00 5.827077761e+00 1.143882236e+01 1.143882236e+01 2.608310332e+00 2.608310332e+00 1.307953956e+01 1.307953956e+01 1.96 5.012860476e+00 5.012860476e+00 1.019285387e+01 1.019285387e+01 2.140127250e+00 2.140127250e+00 1.175669252e+01 1.175669252e+01 1.98 4.263145818e+00 4.263145818e+00 9.027767363e+00 9.027767363e+00 1.707406215e+00 1.707406215e+00 1.051990281e+01 1.051990281e+01 2.00 3.572256626e+00 3.572256626e+00 7.939574632e+00 7.939574632e+00 1.307637233e+00 1.307637233e+00 9.364887667e+00 9.364887667e+00 2.02 2.935221713e+00 2.935221713e+00 6.924591107e+00 6.924591107e+00 9.385403431e-01 9.385403431e-01 8.287416311e+00 8.287416311e+00 2.04 2.348337497e+00 2.348337497e+00 5.979377160e+00 5.979377160e+00 5.981119161e-01 5.981119161e-01 7.283338839e+00 7.283338839e+00 2.06 1.808435621e+00 1.808435621e+00 5.100711213e+00 5.100711213e+00 2.846230788e-01 2.846230788e-01 6.348627453e+00 6.348627453e+00 2.08 1.312670928e+00 1.312670928e+00 4.285604319e+00 4.285604319e+00 -3.416204124e-03 -3.416204124e-03 5.479415911e+00 5.479415911e+00 2.10 8.585087877e-01 8.585087877e-01 3.531275087e+00 3.531275087e+00 -2.673055228e-01 -2.673055228e-01 4.672100410e+00 4.672100410e+00 2.12 4.436566905e-01 4.436566905e-01 2.835043422e+00 2.835043422e+00 -5.081912614e-01 -5.081912614e-01 3.923400493e+00 3.923400493e+00 2.14 6.594397748e-02 6.594397748e-02 2.194225097e+00 2.194225097e+00 -7.271550966e-01 -7.271550966e-01 3.230227299e+00 3.230227299e+00 2.16 -2.767855410e-01 -2.767855410e-01 1.606081902e+00 1.606081902e+00 -9.252898493e-01 -9.252898493e-01 2.589638082e+00 2.589638082e+00 2.18 -5.867178636e-01 -5.867178636e-01 1.067799334e+00 1.067799334e+00 -1.103704384e+00 -1.103704384e+00 1.998838133e+00 1.998838133e+00 2.20 -8.660573975e-01 -8.660573975e-01 5.765699988e-01 5.765699988e-01 -1.263507338e+00 -1.263507338e+00 1.455188757e+00 1.455188757e+00 2.22 -1.116998598e+00 -1.116998598e+00 1.297331789e-01 1.297331789e-01 -1.405773786e+00 -1.405773786e+00 9.562017439e-01 9.562017439e-01 2.24 -1.341705877e+00 -1.341705877e+00 -2.751778344e-01 -2.751778344e-01 -1.531512693e+00 -1.531512693e+00 4.995218072e-01 4.995218072e-01 2.26 -1.542289100e+00 -1.542289100e+00 -6.404644469e-01 -6.404644469e-01 -1.641665008e+00 -1.641665008e+00 8.289117479e-02 8.289117479e-02 2.28 -1.720764104e+00 -1.720764104e+00 -9.683271911e-01 -9.683271911e-01 -1.737130071e+00 -1.737130071e+00 -2.958918601e-01 -2.958918601e-01 2.30 -1.879003596e+00 -1.879003596e+00 -1.260936766e+00 -1.260936766e+00 -1.818805913e+00 -1.818805913e+00 -6.390160492e-01 -6.390160492e-01 2.32 -2.018653944e+00 -2.018653944e+00 -1.520496948e+00 -1.520496948e+00 -1.887624013e+00 -1.887624013e+00 -9.486982017e-01 -9.486982017e-01 2.34 -2.141101366e+00 -2.141101366e+00 -1.749323170e+00 -1.749323170e+00 -1.944566967e+00 -1.944566967e+00 -1.227206941e+00 -1.227206941e+00 2.36 -2.247535552e+00 -2.247535552e+00 -1.949864090e+00 -1.949864090e+00 -1.990669270e+00 -1.990669270e+00 -1.476868147e+00 -1.476868147e+00 2.38 -2.339050616e+00 -2.339050616e+00 -2.124673563e+00 -2.124673563e+00 -2.027004934e+00 -2.027004934e+00 -1.700041219e+00 -1.700041219e+00 2.40 -2.416737710e+00 -2.416737710e+00 -2.276374301e+00 -2.276374301e+00 -2.054663344e+00 -2.054663344e+00 -1.899069799e+00 -1.899069799e+00 2.42 -2.481756039e+00 -2.481756039e+00 -2.407608945e+00 -2.407608945e+00 -2.074714854e+00 -2.074714854e+00 -2.076225410e+00 -2.076225410e+00 2.44 -2.535282288e+00 -2.535282288e+00 -2.520980038e+00 -2.520980038e+00 -2.088171588e+00 -2.088171588e+00 -2.233635460e+00 -2.233635460e+00 2.46 -2.578529083e+00 -2.578529083e+00 -2.618857021e+00 -2.618857021e+00 -2.095943798e+00 -2.095943798e+00 -2.373204850e+00 -2.373204850e+00 2.48 -2.612714612e+00 -2.612714612e+00 -2.703104791e+00 -2.703104791e+00 -2.098800407e+00 -2.098800407e+00 -2.496570530e+00 -2.496570530e+00 2.50 -2.638940215e+00 -2.638940215e+00 -2.775144636e+00 -2.775144636e+00 -2.097340684e+00 -2.097340684e+00 -2.605079453e+00 -2.605079453e+00 2.52 -2.658086529e+00 -2.658086529e+00 -2.836074891e+00 -2.836074891e+00 -2.091985947e+00 -2.091985947e+00 -2.699789594e+00 -2.699789594e+00 2.54 -2.670841335e+00 -2.670841335e+00 -2.886791151e+00 -2.886791151e+00 -2.083054642e+00 -2.083054642e+00 -2.781586306e+00 -2.781586306e+00 2.56 -2.677773959e+00 -2.677773959e+00 -2.928112969e+00 -2.928112969e+00 -2.070847488e+00 -2.070847488e+00 -2.851301461e+00 -2.851301461e+00 2.58 -2.679356423e+00 -2.679356423e+00 -2.960795771e+00 -2.960795771e+00 -2.055663119e+00 -2.055663119e+00 -2.909725620e+00 -2.909725620e+00 2.60 -2.675995791e+00 -2.675995791e+00 -2.985521828e+00 -2.985521828e+00 -2.037804272e+00 -2.037804272e+00 -2.957630463e+00 -2.957630463e+00 2.62 -2.668068476e+00 -2.668068476e+00 -3.002893995e+00 -3.002893995e+00 -2.017580270e+00 -2.017580270e+00 -2.995782063e+00 -2.995782063e+00 2.64 -2.655943306e+00 -2.655943306e+00 -3.013511552e+00 -3.013511552e+00 -1.995302127e+00 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