# 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 = AuPbZr2 # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 4.802287214e+02 4.802287214e+02 1.30 4.489392062e+02 4.489392062e+02 1.32 4.198241324e+02 4.198241324e+02 1.34 3.927120122e+02 3.927120122e+02 1.36 3.674459088e+02 3.674459088e+02 1.38 3.438836742e+02 3.438836742e+02 1.40 3.218971136e+02 3.218971136e+02 1.42 3.013707951e+02 3.013707951e+02 1.44 2.822004834e+02 2.822004834e+02 1.46 2.642903666e+02 2.642903666e+02 1.48 2.475503010e+02 2.475503010e+02 1.50 2.318952607e+02 2.318952607e+02 1.52 2.172466937e+02 2.172466937e+02 1.54 2.035333869e+02 2.035333869e+02 1.56 1.906909216e+02 1.906909216e+02 1.58 1.786600012e+02 1.786600012e+02 1.60 1.673851337e+02 1.673851337e+02 1.62 1.568141559e+02 1.568141559e+02 1.64 1.468985145e+02 1.468985145e+02 1.66 1.375934775e+02 1.375934775e+02 1.68 1.288581078e+02 1.288581078e+02 1.70 1.206548821e+02 1.206548821e+02 1.72 1.129491132e+02 1.129491132e+02 1.74 1.057084224e+02 1.057084224e+02 1.76 9.890248307e+01 9.890248307e+01 1.78 9.250297532e+01 9.250297532e+01 1.80 8.648362432e+01 8.648362432e+01 1.82 8.082010522e+01 8.082010522e+01 1.84 7.549005449e+01 7.549005449e+01 1.86 7.047300590e+01 7.047300590e+01 1.88 6.575013651e+01 6.575013651e+01 1.90 6.130384265e+01 6.130384265e+01 1.92 5.711740274e+01 5.711740274e+01 1.94 5.317482928e+01 5.317482928e+01 1.96 4.946163407e+01 4.946163407e+01 1.98 4.596350411e+01 4.596350411e+01 2.00 4.267332006e+01 4.267332006e+01 2.02 3.958628415e+01 3.958628415e+01 2.04 3.668996557e+01 3.668996557e+01 2.06 3.397239776e+01 3.397239776e+01 2.08 3.142261697e+01 3.142261697e+01 2.10 2.903060329e+01 2.903060329e+01 2.12 2.678712663e+01 2.678712663e+01 2.14 2.468359634e+01 2.468359634e+01 2.16 2.271188752e+01 2.271188752e+01 2.18 2.086421542e+01 2.086421542e+01 2.20 1.913310063e+01 1.913310063e+01 2.22 1.751137510e+01 1.751137510e+01 2.24 1.599222368e+01 1.599222368e+01 2.26 1.456922917e+01 1.456922917e+01 2.28 1.323639371e+01 1.323639371e+01 2.30 1.198816339e+01 1.198816339e+01 2.32 1.081941706e+01 1.081941706e+01 2.34 9.725394670e+00 9.725394670e+00 2.36 8.701664749e+00 8.701664749e+00 2.38 7.744061745e+00 7.744061745e+00 2.40 6.848642211e+00 6.848642211e+00 2.42 6.011651709e+00 6.011651709e+00 2.44 5.229522657e+00 5.229522657e+00 2.46 4.498876340e+00 4.498876340e+00 2.48 3.816541748e+00 3.816541748e+00 2.50 3.179569468e+00 3.179569468e+00 2.52 2.585229198e+00 2.585229198e+00 2.54 2.030986612e+00 2.030986612e+00 2.56 1.514467628e+00 1.514467628e+00 2.58 1.033424817e+00 1.033424817e+00 2.60 5.857172701e-01 5.857172701e-01 2.62 1.693049664e-01 1.693049664e-01 2.64 -2.177419815e-01 -2.177419815e-01 2.66 -5.772436268e-01 -5.772436268e-01 2.68 -9.109022882e-01 -9.109022882e-01 2.70 -1.220307275e+00 -1.220307275e+00 2.72 -1.506942373e+00 -1.506942373e+00 2.74 -1.772194608e+00 -1.772194608e+00 2.76 -2.017419098e+00 -2.017419098e+00 2.78 -2.243883001e+00 -2.243883001e+00 2.80 -2.452611128e+00 -2.452611128e+00 2.82 -2.644566075e+00 -2.644566075e+00 2.84 -2.820665506e+00 -2.820665506e+00 2.86 -2.981779886e+00 -2.981779886e+00 2.88 -3.128735403e+00 -3.128735403e+00 2.90 -3.262317814e+00 -3.262317814e+00 2.92 -3.383275304e+00 -3.383275304e+00 2.94 -3.492215497e+00 -3.492215497e+00 2.96 -3.589559033e+00 -3.589559033e+00 2.98 -3.675736939e+00 -3.675736939e+00 3.00 -3.751204760e+00 -3.751204760e+00 3.02 -3.816436063e+00 -3.816436063e+00 3.04 -3.871913221e+00 -3.871913221e+00 3.06 -3.918139431e+00 -3.918139431e+00 3.08 -3.955609620e+00 -3.955609620e+00 3.10 -3.984826649e+00 -3.984826649e+00 3.12 -4.006292937e+00 -4.006292937e+00 3.14 -4.020515920e+00 -4.020515920e+00 3.16 -4.027994496e+00 -4.027994496e+00 3.18 -4.029269981e+00 -4.029269981e+00 3.20 -4.024828525e+00 -4.024828525e+00 3.22 -4.015088355e+00 -4.015088355e+00 3.24 -4.000457844e+00 -4.000457844e+00 3.26 -3.981331657e+00 -3.981331657e+00 3.28 -3.958089242e+00 -3.958089242e+00 3.30 -3.931094703e+00 -3.931094703e+00 3.32 -3.900696656e+00 -3.900696656e+00 3.34 -3.867226942e+00 -3.867226942e+00 3.36 -3.830997733e+00 -3.830997733e+00 3.38 -3.792295120e+00 -3.792295120e+00 3.40 -3.751376661e+00 -3.751376661e+00 3.42 -3.708479692e+00 -3.708479692e+00 3.44 -3.663811098e+00 -3.663811098e+00 3.46 -3.617557233e+00 -3.617557233e+00 3.48 -3.569884944e+00 -3.569884944e+00 3.50 -3.520944839e+00 -3.520944839e+00 3.52 -3.470874167e+00 -3.470874167e+00 3.54 -3.419799071e+00 -3.419799071e+00 3.56 -3.367836168e+00 -3.367836168e+00 3.58 -3.315093590e+00 -3.315093590e+00 3.60 -3.261671685e+00 -3.261671685e+00 3.62 -3.207663548e+00 -3.207663548e+00 3.64 -3.153155591e+00 -3.153155591e+00 3.66 -3.098228258e+00 -3.098228258e+00 3.68 -3.042957012e+00 -3.042957012e+00 3.70 -2.987414290e+00 -2.987414290e+00 3.72 -2.931693719e+00 -2.931693719e+00 3.74 -2.875859924e+00 -2.875859924e+00 3.76 -2.819964982e+00 -2.819964982e+00 3.78 -2.764069799e+00 -2.764069799e+00 3.80 -2.708245603e+00 -2.708245603e+00 3.82 -2.652574736e+00 -2.652574736e+00 3.84 -2.597150254e+00 -2.597150254e+00 3.86 -2.542073925e+00 -2.542073925e+00 3.88 -2.487452519e+00 -2.487452519e+00 3.90 -2.433392525e+00 -2.433392525e+00 3.92 -2.379988569e+00 -2.379988569e+00 3.94 -2.327330420e+00 -2.327330420e+00 3.96 -2.275480046e+00 -2.275480046e+00 3.98 -2.224485813e+00 -2.224485813e+00 4.00 -2.174377376e+00 -2.174377376e+00 4.02 -2.125166970e+00 -2.125166970e+00 4.04 -2.076852132e+00 -2.076852132e+00 4.06 -2.029419188e+00 -2.029419188e+00 4.08 -1.982846864e+00 -1.982846864e+00 4.10 -1.937102243e+00 -1.937102243e+00 4.12 -1.892174181e+00 -1.892174181e+00 4.14 -1.848027091e+00 -1.848027091e+00 4.16 -1.804636314e+00 -1.804636314e+00 4.18 -1.761980092e+00 -1.761980092e+00 4.20 -1.720040116e+00 -1.720040116e+00 4.22 -1.678801771e+00 -1.678801771e+00 4.24 -1.638254147e+00 -1.638254147e+00 4.26 -1.598389860e+00 -1.598389860e+00 4.28 -1.559204726e+00 -1.559204726e+00 4.30 -1.520697285e+00 -1.520697285e+00 4.32 -1.482868221e+00 -1.482868221e+00 4.34 -1.445719688e+00 -1.445719688e+00 4.36 -1.409254600e+00 -1.409254600e+00 4.38 -1.373475920e+00 -1.373475920e+00 4.40 -1.338386014e+00 -1.338386014e+00 4.42 -1.303986120e+00 -1.303986120e+00 4.44 -1.270275942e+00 -1.270275942e+00 4.46 -1.237253412e+00 -1.237253412e+00 4.48 -1.204914586e+00 -1.204914586e+00 4.50 -1.173253671e+00 -1.173253671e+00 4.52 -1.142263145e+00 -1.142263145e+00 4.54 -1.111933937e+00 -1.111933937e+00 4.56 -1.082255634e+00 -1.082255634e+00 4.58 -1.053216708e+00 -1.053216708e+00 4.60 -1.024804732e+00 -1.024804732e+00 4.62 -9.970065857e-01 -9.970065857e-01 4.64 -9.698086567e-01 -9.698086567e-01 4.66 -9.431970312e-01 -9.431970312e-01 4.68 -9.171576860e-01 -9.171576860e-01 4.70 -8.916766839e-01 -8.916766839e-01 4.72 -8.667403780e-01 -8.667403780e-01 4.74 -8.423356243e-01 -8.423356243e-01 4.76 -8.184500021e-01 -8.184500021e-01 4.78 -7.950720350e-01 -7.950720350e-01 4.80 -7.721847623e-01 -7.721847623e-01 4.82 -7.497936144e-01 -7.497936144e-01 4.84 -7.278831841e-01 -7.278831841e-01 4.86 -7.064476490e-01 -7.064476490e-01 4.88 -6.854828128e-01 -6.854828128e-01 4.90 -6.649860418e-01 -6.649860418e-01 4.92 -6.449560991e-01 -6.449560991e-01 4.94 -6.253928724e-01 -6.253928724e-01 4.96 -6.062970009e-01 -6.062970009e-01 4.98 -5.876694209e-01 -5.876694209e-01 5.00 -5.695108589e-01 -5.695108589e-01 5.02 -5.518213112e-01 -5.518213112e-01 5.04 -5.345995546e-01 -5.345995546e-01 5.06 -5.178427321e-01 -5.178427321e-01 5.08 -5.015460490e-01 -5.015460490e-01 5.10 -4.857026071e-01 -4.857026071e-01 5.12 -4.703033868e-01 -4.703033868e-01 5.14 -4.553373754e-01 -4.553373754e-01 5.16 -4.407918232e-01 -4.407918232e-01 5.18 -4.266526040e-01 -4.266526040e-01 5.20 -4.129046485e-01 -4.129046485e-01 5.22 -3.995324198e-01 -3.995324198e-01 5.24 -3.865204041e-01 -3.865204041e-01 5.26 -3.738535910e-01 -3.738535910e-01 5.28 -3.615179262e-01 -3.615179262e-01 5.30 -3.495007209e-01 -3.495007209e-01 5.32 -3.377910044e-01 -3.377910044e-01 5.34 -3.263798074e-01 -3.263798074e-01 5.36 -3.152603609e-01 -3.152603609e-01 5.38 -3.044281948e-01 -3.044281948e-01 5.40 -2.938811196e-01 -2.938811196e-01 5.42 -2.836190769e-01 -2.836190769e-01 5.44 -2.736438509e-01 -2.736438509e-01 5.46 -2.639586457e-01 -2.639586457e-01 5.48 -2.545675440e-01 -2.545675440e-01 5.50 -2.454748825e-01 -2.454748825e-01 5.52 -2.366845894e-01 -2.366845894e-01 5.54 -2.281995400e-01 -2.281995400e-01 5.56 -2.200209865e-01 -2.200209865e-01 5.58 -2.121481105e-01 -2.121481105e-01 5.60 -2.045777328e-01 -2.045777328e-01 5.62 -1.973041954e-01 -1.973041954e-01 5.64 -1.903194106e-01 -1.903194106e-01 5.66 -1.836130560e-01 -1.836130560e-01 5.68 -1.771728805e-01 -1.771728805e-01 5.70 -1.709850821e-01 -1.709850821e-01 5.72 -1.650347189e-01 -1.650347189e-01 5.74 -1.593061180e-01 -1.593061180e-01 5.76 -1.537832572e-01 -1.537832572e-01 5.78 -1.484501011e-01 -1.484501011e-01 5.80 -1.432908840e-01 -1.432908840e-01 5.82 -1.382903365e-01 -1.382903365e-01 5.84 -1.334338591e-01 -1.334338591e-01 5.86 -1.287076493e-01 -1.287076493e-01 5.88 -1.240987907e-01 -1.240987907e-01 5.90 -1.195953119e-01 -1.195953119e-01 5.92 -1.151862234e-01 -1.151862234e-01 5.94 -1.108615405e-01 -1.108615405e-01 5.96 -1.066122964e-01 -1.066122964e-01 5.98 -1.024304528e-01 -1.024304528e-01 6.00 -9.830907476e-02 -9.830907476e-02