# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2000--Landa-A-Wynblatt-P-Siegel-D-J-et-al--Al-Pb # implementation = 2000--Landa-A--Al-Pb--LAMMPS--ipr1 # composition = AlPb # 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 1.922334994e+03 1.922334994e+03 nan nan 0.80 nan nan nan nan 1.777454789e+03 1.777454789e+03 nan nan 0.82 nan nan nan nan 1.646867687e+03 1.646867687e+03 nan nan 0.84 nan nan nan nan 1.526578223e+03 1.526578223e+03 nan nan 0.86 nan nan nan nan 1.415519033e+03 1.415519033e+03 nan nan 0.88 nan nan nan nan 1.313603809e+03 1.313603809e+03 nan nan 0.90 1.928751659e+03 1.928751659e+03 nan nan 1.218347331e+03 1.218347331e+03 nan nan 0.92 1.801217577e+03 1.801217577e+03 nan nan 1.131606582e+03 1.131606582e+03 nan nan 0.94 1.684438436e+03 1.684438436e+03 nan nan 1.056090258e+03 1.056090258e+03 nan nan 0.96 1.575872253e+03 1.575872253e+03 nan nan 9.876254832e+02 9.876254832e+02 nan nan 0.98 1.473323819e+03 1.473323819e+03 nan nan 9.246488311e+02 9.246488311e+02 nan nan 1.00 1.379025491e+03 1.379025491e+03 1.823067262e+03 1.823067262e+03 8.660415332e+02 8.660415332e+02 1.926950372e+03 1.926950372e+03 1.02 1.293047462e+03 1.293047462e+03 1.710529206e+03 1.710529206e+03 8.120354475e+02 8.120354475e+02 1.812399439e+03 1.812399439e+03 1.04 1.213508408e+03 1.213508408e+03 1.607935872e+03 1.607935872e+03 7.623033069e+02 7.623033069e+02 1.706282182e+03 1.706282182e+03 1.06 1.141218755e+03 1.141218755e+03 1.514315705e+03 1.514315705e+03 7.163682323e+02 7.163682323e+02 1.606474345e+03 1.606474345e+03 1.08 1.076583823e+03 1.076583823e+03 1.428931526e+03 1.428931526e+03 6.744743926e+02 6.744743926e+02 1.512465989e+03 1.512465989e+03 1.10 1.017375124e+03 1.017375124e+03 1.350537688e+03 1.350537688e+03 6.351801259e+02 6.351801259e+02 1.424393995e+03 1.424393995e+03 1.12 9.612572019e+02 9.612572019e+02 1.277933005e+03 1.277933005e+03 5.984095084e+02 5.984095084e+02 1.342171543e+03 1.342171543e+03 1.14 9.083773865e+02 9.083773865e+02 1.209773004e+03 1.209773004e+03 5.631403961e+02 5.631403961e+02 1.265931345e+03 1.265931345e+03 1.16 8.579491347e+02 8.579491347e+02 1.144731290e+03 1.144731290e+03 5.280004155e+02 5.280004155e+02 1.195213987e+03 1.195213987e+03 1.18 8.106952467e+02 8.106952467e+02 1.081851861e+03 1.081851861e+03 4.939008469e+02 4.939008469e+02 1.129986663e+03 1.129986663e+03 1.20 7.663406927e+02 7.663406927e+02 1.021752196e+03 1.021752196e+03 4.618094516e+02 4.618094516e+02 1.070070714e+03 1.070070714e+03 1.22 7.249414718e+02 7.249414718e+02 9.654266005e+02 9.654266005e+02 4.321215536e+02 4.321215536e+02 1.014181620e+03 1.014181620e+03 1.24 6.867923336e+02 6.867923336e+02 9.130888035e+02 9.130888035e+02 4.050484356e+02 4.050484356e+02 9.619942240e+02 9.619942240e+02 1.26 6.505951956e+02 6.505951956e+02 8.648986360e+02 8.648986360e+02 3.808934303e+02 3.808934303e+02 9.134145895e+02 9.134145895e+02 1.28 6.160103310e+02 6.160103310e+02 8.211817232e+02 8.211817232e+02 3.600284519e+02 3.600284519e+02 8.682677936e+02 8.682677936e+02 1.30 5.832111808e+02 5.832111808e+02 7.796463056e+02 7.796463056e+02 3.402755248e+02 3.402755248e+02 8.261462857e+02 8.261462857e+02 1.32 5.511566711e+02 5.511566711e+02 7.400728042e+02 7.400728042e+02 3.209567158e+02 3.209567158e+02 7.864828828e+02 7.864828828e+02 1.34 5.200028812e+02 5.200028812e+02 7.024290339e+02 7.024290339e+02 3.022108659e+02 3.022108659e+02 7.491363994e+02 7.491363994e+02 1.36 4.906159275e+02 4.906159275e+02 6.664208971e+02 6.664208971e+02 2.842830966e+02 2.842830966e+02 7.137288311e+02 7.137288311e+02 1.38 4.636423739e+02 4.636423739e+02 6.327218818e+02 6.327218818e+02 2.676307741e+02 2.676307741e+02 6.798731271e+02 6.798731271e+02 1.40 4.387612804e+02 4.387612804e+02 6.010348290e+02 6.010348290e+02 2.519851110e+02 2.519851110e+02 6.471724648e+02 6.471724648e+02 1.42 4.157514925e+02 4.157514925e+02 5.712812602e+02 5.712812602e+02 2.372364448e+02 2.372364448e+02 6.151853227e+02 6.151853227e+02 1.44 3.946545691e+02 3.946545691e+02 5.438369026e+02 5.438369026e+02 2.234298192e+02 2.234298192e+02 5.839550255e+02 5.839550255e+02 1.46 3.756979082e+02 3.756979082e+02 5.181994803e+02 5.181994803e+02 2.105418443e+02 2.105418443e+02 5.538658493e+02 5.538658493e+02 1.48 3.589786387e+02 3.589786387e+02 4.938955554e+02 4.938955554e+02 1.985211378e+02 1.985211378e+02 5.253028192e+02 5.253028192e+02 1.50 3.429662371e+02 3.429662371e+02 4.709696894e+02 4.709696894e+02 1.873757638e+02 1.873757638e+02 4.983450134e+02 4.983450134e+02 1.52 3.272893634e+02 3.272893634e+02 4.491811034e+02 4.491811034e+02 1.768865245e+02 1.768865245e+02 4.733312717e+02 4.733312717e+02 1.54 3.118879465e+02 3.118879465e+02 4.279929397e+02 4.279929397e+02 1.664101258e+02 1.664101258e+02 4.504668301e+02 4.504668301e+02 1.56 2.967268543e+02 2.967268543e+02 4.076497731e+02 4.076497731e+02 1.559858883e+02 1.559858883e+02 4.295544102e+02 4.295544102e+02 1.58 2.820407860e+02 2.820407860e+02 3.885949819e+02 3.885949819e+02 1.457833710e+02 1.457833710e+02 4.098632235e+02 4.098632235e+02 1.60 2.678513209e+02 2.678513209e+02 3.710959141e+02 3.710959141e+02 1.359828410e+02 1.359828410e+02 3.914043631e+02 3.914043631e+02 1.62 2.540626989e+02 2.540626989e+02 3.546308267e+02 3.546308267e+02 1.267556236e+02 1.267556236e+02 3.742262604e+02 3.742262604e+02 1.64 2.407504559e+02 2.407504559e+02 3.393409468e+02 3.393409468e+02 1.182456586e+02 1.182456586e+02 3.579967474e+02 3.579967474e+02 1.66 2.279596964e+02 2.279596964e+02 3.253130464e+02 3.253130464e+02 1.105152373e+02 1.105152373e+02 3.424771156e+02 3.424771156e+02 1.68 2.157192347e+02 2.157192347e+02 3.121828454e+02 3.121828454e+02 1.034034141e+02 1.034034141e+02 3.276547840e+02 3.276547840e+02 1.70 2.040652299e+02 2.040652299e+02 2.995915187e+02 2.995915187e+02 9.669081503e+01 9.669081503e+01 3.134527526e+02 3.134527526e+02 1.72 1.929630445e+02 1.929630445e+02 2.870607440e+02 2.870607440e+02 8.999785150e+01 8.999785150e+01 2.997342534e+02 2.997342534e+02 1.74 1.823584485e+02 1.823584485e+02 2.744202098e+02 2.744202098e+02 8.323318612e+01 8.323318612e+01 2.864478647e+02 2.864478647e+02 1.76 1.721122601e+02 1.721122601e+02 2.617507178e+02 2.617507178e+02 7.651615843e+01 7.651615843e+01 2.737120746e+02 2.737120746e+02 1.78 1.620373866e+02 1.620373866e+02 2.491856073e+02 2.491856073e+02 6.997178630e+01 6.997178630e+01 2.615980983e+02 2.615980983e+02 1.80 1.523018433e+02 1.523018433e+02 2.368436682e+02 2.368436682e+02 6.367126613e+01 6.367126613e+01 2.499972867e+02 2.499972867e+02 1.82 1.430568204e+02 1.430568204e+02 2.248022261e+02 2.248022261e+02 5.768410926e+01 5.768410926e+01 2.388138833e+02 2.388138833e+02 1.84 1.344373635e+02 1.344373635e+02 2.131205528e+02 2.131205528e+02 5.207537200e+01 5.207537200e+01 2.280806290e+02 2.280806290e+02 1.86 1.265363697e+02 1.265363697e+02 2.018619236e+02 2.018619236e+02 4.691219249e+01 4.691219249e+01 2.178726510e+02 2.178726510e+02 1.88 1.193536972e+02 1.193536972e+02 1.911166269e+02 1.911166269e+02 4.227496737e+01 4.227496737e+01 2.082469033e+02 2.082469033e+02 1.90 1.128003145e+02 1.128003145e+02 1.808965224e+02 1.808965224e+02 3.820499933e+01 3.820499933e+01 1.991281703e+02 1.991281703e+02 1.92 1.067142421e+02 1.067142421e+02 1.712030155e+02 1.712030155e+02 3.469625118e+01 3.469625118e+01 1.903234475e+02 1.903234475e+02 1.94 1.010422564e+02 1.010422564e+02 1.622125836e+02 1.622125836e+02 3.179946816e+01 3.179946816e+01 1.818056970e+02 1.818056970e+02 1.96 9.565327712e+01 9.565327712e+01 1.538460356e+02 1.538460356e+02 2.939651245e+01 2.939651245e+01 1.735805739e+02 1.735805739e+02 1.98 9.027833694e+01 9.027833694e+01 1.456817289e+02 1.456817289e+02 2.703794921e+01 2.703794921e+01 1.656641969e+02 1.656641969e+02 2.00 8.487505419e+01 8.487505419e+01 1.376943846e+02 1.376943846e+02 2.467310198e+01 2.467310198e+01 1.581407112e+02 1.581407112e+02 2.02 7.946853752e+01 7.946853752e+01 1.298842078e+02 1.298842078e+02 2.227621436e+01 2.227621436e+01 1.510871943e+02 1.510871943e+02 2.04 7.418321141e+01 7.418321141e+01 1.222992073e+02 1.222992073e+02 1.984519954e+01 1.984519954e+01 1.445606980e+02 1.445606980e+02 2.06 6.905373557e+01 6.905373557e+01 1.150316041e+02 1.150316041e+02 1.740002283e+01 1.740002283e+01 1.385099384e+02 1.385099384e+02 2.08 6.407390483e+01 6.407390483e+01 1.081551966e+02 1.081551966e+02 1.495146106e+01 1.495146106e+01 1.326359516e+02 1.326359516e+02 2.10 5.926577262e+01 5.926577262e+01 1.017776112e+02 1.017776112e+02 1.252718881e+01 1.252718881e+01 1.268516838e+02 1.268516838e+02 2.12 5.466693358e+01 5.466693358e+01 9.602217105e+01 9.602217105e+01 1.016298066e+01 1.016298066e+01 1.211576072e+02 1.211576072e+02 2.14 5.031805286e+01 5.031805286e+01 9.096837423e+01 9.096837423e+01 8.065278520e+00 8.065278520e+00 1.155928218e+02 1.155928218e+02 2.16 4.626172479e+01 4.626172479e+01 8.634464832e+01 8.634464832e+01 6.375862361e+00 6.375862361e+00 1.101897710e+02 1.101897710e+02 2.18 4.254075881e+01 4.254075881e+01 8.208296868e+01 8.208296868e+01 5.025840801e+00 5.025840801e+00 1.049231095e+02 1.049231095e+02 2.20 3.919493170e+01 3.919493170e+01 7.816283677e+01 7.816283677e+01 3.944515548e+00 3.944515548e+00 9.979229727e+01 9.979229727e+01 2.22 3.624871272e+01 3.624871272e+01 7.456248856e+01 7.456248856e+01 3.074487004e+00 3.074487004e+00 9.484809956e+01 9.484809956e+01 2.24 3.372353649e+01 3.372353649e+01 7.126597082e+01 7.126597082e+01 2.372752553e+00 2.372752553e+00 9.004586295e+01 9.004586295e+01 2.26 3.154485788e+01 3.154485788e+01 6.822275208e+01 6.822275208e+01 1.799233064e+00 1.799233064e+00 8.536100330e+01 8.536100330e+01 2.28 2.938129502e+01 2.938129502e+01 6.533129172e+01 6.533129172e+01 1.316181832e+00 1.316181832e+00 8.083869687e+01 8.083869687e+01 2.30 2.720282387e+01 2.720282387e+01 6.256018398e+01 6.256018398e+01 9.059839132e-01 9.059839132e-01 7.651914269e+01 7.651914269e+01 2.32 2.501292472e+01 2.501292472e+01 5.990090164e+01 5.990090164e+01 5.569912660e-01 5.569912660e-01 7.244127999e+01 7.244127999e+01 2.34 2.283507632e+01 2.283507632e+01 5.734995682e+01 5.734995682e+01 2.595178111e-01 2.595178111e-01 6.862515439e+01 6.862515439e+01 2.36 2.069529282e+01 2.069529282e+01 5.490430436e+01 5.490430436e+01 5.071203247e-03 5.071203247e-03 6.506031054e+01 6.506031054e+01 2.38 1.861919144e+01 1.861919144e+01 5.256107701e+01 5.256107701e+01 -2.136192146e-01 -2.136192146e-01 6.172520422e+01 6.172520422e+01 2.40 1.662224291e+01 1.662224291e+01 5.027727595e+01 5.027727595e+01 -4.072239966e-01 -4.072239966e-01 5.851525819e+01 5.851525819e+01 2.42 1.470687790e+01 1.470687790e+01 4.797780838e+01 4.797780838e+01 -5.865243512e-01 -5.865243512e-01 5.539528019e+01 5.539528019e+01 2.44 1.287262205e+01 1.287262205e+01 4.565449854e+01 4.565449854e+01 -7.529998622e-01 -7.529998622e-01 5.235499341e+01 5.235499341e+01 2.46 1.111749448e+01 1.111749448e+01 4.330886997e+01 4.330886997e+01 -9.078193739e-01 -9.078193739e-01 4.938328751e+01 4.938328751e+01 2.48 9.458725484e+00 9.458725484e+00 4.096991356e+01 4.096991356e+01 -1.051898707e+00 -1.051898707e+00 4.647669371e+01 4.647669371e+01 2.50 7.907924447e+00 7.907924447e+00 3.865994344e+01 3.865994344e+01 -1.184813546e+00 -1.184813546e+00 4.364800341e+01 4.364800341e+01 2.52 6.516046379e+00 6.516046379e+00 3.639251628e+01 3.639251628e+01 -1.305937092e+00 -1.305937092e+00 4.090702448e+01 4.090702448e+01 2.54 5.339376718e+00 5.339376718e+00 3.418128393e+01 3.418128393e+01 -1.415935225e+00 -1.415935225e+00 3.826294975e+01 3.826294975e+01 2.56 4.309602884e+00 4.309602884e+00 3.203930158e+01 3.203930158e+01 -1.516325688e+00 -1.516325688e+00 3.572471969e+01 3.572471969e+01 2.58 3.410674352e+00 3.410674352e+00 2.997166127e+01 2.997166127e+01 -1.607125832e+00 -1.607125832e+00 3.330124565e+01 3.330124565e+01 2.60 2.629111633e+00 2.629111633e+00 2.797551920e+01 2.797551920e+01 -1.685442915e+00 -1.685442915e+00 3.100054148e+01 3.100054148e+01 2.62 1.951403414e+00 1.951403414e+00 2.604577982e+01 2.604577982e+01 -1.748774672e+00 -1.748774672e+00 2.882358375e+01 2.882358375e+01 2.64 1.365058058e+00 1.365058058e+00 2.417689877e+01 2.417689877e+01 -1.797487948e+00 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