# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgAuNi2 # 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 2026-08-31 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 5.135570797e+06 5.135570797e+06 0.88 4.666469699e+06 4.666469699e+06 0.90 4.238801911e+06 4.238801911e+06 0.92 3.848179747e+06 3.848179747e+06 0.94 3.490713808e+06 3.490713808e+06 0.96 3.163016576e+06 3.163016576e+06 0.98 2.862093023e+06 2.862093023e+06 1.00 2.585282169e+06 2.585282169e+06 1.02 2.330264537e+06 2.330264537e+06 1.04 2.095002942e+06 2.095002942e+06 1.06 1.877665822e+06 1.877665822e+06 1.08 1.676646140e+06 1.676646140e+06 1.10 1.490466757e+06 1.490466757e+06 1.12 1.317806826e+06 1.317806826e+06 1.14 1.157494060e+06 1.157494060e+06 1.16 1.008460489e+06 1.008460489e+06 1.18 8.697716268e+05 8.697716268e+05 1.20 7.405610376e+05 7.405610376e+05 1.22 6.200505471e+05 6.200505471e+05 1.24 5.075628800e+05 5.075628800e+05 1.26 4.045957673e+05 4.045957673e+05 1.28 3.192725358e+05 3.192725358e+05 1.30 2.521398021e+05 2.521398021e+05 1.32 1.994345526e+05 1.994345526e+05 1.34 1.579752087e+05 1.579752087e+05 1.36 1.253049693e+05 1.253049693e+05 1.38 9.951632047e+04 9.951632047e+04 1.40 7.912577957e+04 7.912577957e+04 1.42 6.297992120e+04 6.297992120e+04 1.44 5.017512681e+04 5.017512681e+04 1.46 4.000671650e+04 4.000671650e+04 1.48 3.192340836e+04 3.192340836e+04 1.50 2.549026350e+04 2.549026350e+04 1.52 2.036489669e+04 2.036489669e+04 1.54 1.627821436e+04 1.627821436e+04 1.56 1.301717785e+04 1.301717785e+04 1.58 1.041296457e+04 1.041296457e+04 1.60 8.332105541e+03 8.332105541e+03 1.62 6.668582001e+03 6.668582001e+03 1.64 5.337745703e+03 5.337745703e+03 1.66 4.272324428e+03 4.272324428e+03 1.68 3.418944121e+03 3.418944121e+03 1.70 2.735314345e+03 2.735314345e+03 1.72 2.187659204e+03 2.187659204e+03 1.74 1.748869580e+03 1.748869580e+03 1.76 1.397303734e+03 1.397303734e+03 1.78 1.115692137e+03 1.115692137e+03 1.80 8.901867936e+02 8.901867936e+02 1.82 7.096782081e+02 7.096782081e+02 1.84 5.652519526e+02 5.652519526e+02 1.86 4.497538919e+02 4.497538919e+02 1.88 3.574417987e+02 3.574417987e+02 1.90 2.836796267e+02 2.836796267e+02 1.92 2.247682569e+02 2.247682569e+02 1.94 1.777559441e+02 1.777559441e+02 1.96 1.402652159e+02 1.402652159e+02 1.98 1.103989848e+02 1.103989848e+02 2.00 8.663289104e+01 8.663289104e+01 2.02 6.773803902e+01 6.773803902e+01 2.04 5.273369134e+01 5.273369134e+01 2.06 4.083423059e+01 4.083423059e+01 2.08 3.140940127e+01 3.140940127e+01 2.10 2.395410172e+01 2.395410172e+01 2.12 1.806375319e+01 1.806375319e+01 2.14 1.341506298e+01 1.341506298e+01 2.16 9.750154557e+00 9.750154557e+00 2.18 6.863384227e+00 6.863384227e+00 2.20 4.590648741e+00 4.590648741e+00 2.22 2.801709198e+00 2.801709198e+00 2.24 1.393804043e+00 1.393804043e+00 2.26 2.854200284e-01 2.854200284e-01 2.28 -5.877341471e-01 -5.877341471e-01 2.30 -1.276284510e+00 -1.276284510e+00 2.32 -1.820103775e+00 -1.820103775e+00 2.34 -2.250504420e+00 -2.250504420e+00 2.36 -2.592001116e+00 -2.592001116e+00 2.38 -2.863724945e+00 -2.863724945e+00 2.40 -3.080556193e+00 -3.080556193e+00 2.42 -3.254029918e+00 -3.254029918e+00 2.44 -3.393045159e+00 -3.393045159e+00 2.46 -3.504427432e+00 -3.504427432e+00 2.48 -3.593436643e+00 -3.593436643e+00 2.50 -3.664111097e+00 -3.664111097e+00 2.52 -3.719545068e+00 -3.719545068e+00 2.54 -3.762104364e+00 -3.762104364e+00 2.56 -3.793541741e+00 -3.793541741e+00 2.58 -3.815235923e+00 -3.815235923e+00 2.60 -3.828276506e+00 -3.828276506e+00 2.62 -3.833525681e+00 -3.833525681e+00 2.64 -3.831678801e+00 -3.831678801e+00 2.66 -3.823310430e+00 -3.823310430e+00 2.68 -3.808908995e+00 -3.808908995e+00 2.70 -3.788902506e+00 -3.788902506e+00 2.72 -3.763677354e+00 -3.763677354e+00 2.74 -3.733591766e+00 -3.733591766e+00 2.76 -3.698985174e+00 -3.698985174e+00 2.78 -3.660184501e+00 -3.660184501e+00 2.80 -3.617508139e+00 -3.617508139e+00 2.82 -3.571267578e+00 -3.571267578e+00 2.84 -3.521742874e+00 -3.521742874e+00 2.86 -3.469216189e+00 -3.469216189e+00 2.88 -3.413982104e+00 -3.413982104e+00 2.90 -3.356329442e+00 -3.356329442e+00 2.92 -3.296540404e+00 -3.296540404e+00 2.94 -3.234889640e+00 -3.234889640e+00 2.96 -3.171587216e+00 -3.171587216e+00 2.98 -3.106785537e+00 -3.106785537e+00 3.00 -3.040660204e+00 -3.040660204e+00 3.02 -2.973430107e+00 -2.973430107e+00 3.04 -2.905313645e+00 -2.905313645e+00 3.06 -2.836518084e+00 -2.836518084e+00 3.08 -2.767239376e+00 -2.767239376e+00 3.10 -2.697662060e+00 -2.697662060e+00 3.12 -2.627959253e+00 -2.627959253e+00 3.14 -2.558292712e+00 -2.558292712e+00 3.16 -2.488812970e+00 -2.488812970e+00 3.18 -2.419659534e+00 -2.419659534e+00 3.20 -2.350961134e+00 -2.350961134e+00 3.22 -2.282836026e+00 -2.282836026e+00 3.24 -2.215392325e+00 -2.215392325e+00 3.26 -2.148728378e+00 -2.148728378e+00 3.28 -2.082933158e+00 -2.082933158e+00 3.30 -2.018086674e+00 -2.018086674e+00 3.32 -1.954260403e+00 -1.954260403e+00 3.34 -1.891517720e+00 -1.891517720e+00 3.36 -1.829914337e+00 -1.829914337e+00 3.38 -1.769498742e+00 -1.769498742e+00 3.40 -1.710312632e+00 -1.710312632e+00 3.42 -1.652391343e+00 -1.652391343e+00 3.44 -1.595764263e+00 -1.595764263e+00 3.46 -1.540443672e+00 -1.540443672e+00 3.48 -1.486379303e+00 -1.486379303e+00 3.50 -1.433572402e+00 -1.433572402e+00 3.52 -1.382034905e+00 -1.382034905e+00 3.54 -1.331774814e+00 -1.331774814e+00 3.56 -1.282796516e+00 -1.282796516e+00 3.58 -1.235101076e+00 -1.235101076e+00 3.60 -1.188686525e+00 -1.188686525e+00 3.62 -1.143548125e+00 -1.143548125e+00 3.64 -1.099678626e+00 -1.099678626e+00 3.66 -1.057068504e+00 -1.057068504e+00 3.68 -1.015706189e+00 -1.015706189e+00 3.70 -9.755782714e-01 -9.755782714e-01 3.72 -9.366697075e-01 -9.366697075e-01 3.74 -8.989639988e-01 -8.989639988e-01 3.76 -8.624433678e-01 -8.624433678e-01 3.78 -8.270889182e-01 -8.270889182e-01 3.80 -7.928807841e-01 -7.928807841e-01 3.82 -7.597982687e-01 -7.597982687e-01 3.84 -7.278199725e-01 -7.278199725e-01 3.86 -6.969239110e-01 -6.969239110e-01 3.88 -6.670876239e-01 -6.670876239e-01 3.90 -6.382882751e-01 -6.382882751e-01 3.92 -6.105027442e-01 -6.105027442e-01 3.94 -5.837077105e-01 -5.837077105e-01 3.96 -5.578797293e-01 -5.578797293e-01 3.98 -5.329953016e-01 -5.329953016e-01 4.00 -5.090309371e-01 -5.090309371e-01 4.02 -4.859632114e-01 -4.859632114e-01 4.04 -4.637688174e-01 -4.637688174e-01 4.06 -4.424246116e-01 -4.424246116e-01 4.08 -4.219076550e-01 -4.219076550e-01 4.10 -4.021952505e-01 -4.021952505e-01 4.12 -3.832649753e-01 -3.832649753e-01 4.14 -3.650947092e-01 -3.650947092e-01 4.16 -3.476626605e-01 -3.476626605e-01 4.18 -3.309473874e-01 -3.309473874e-01 4.20 -3.149278171e-01 -3.149278171e-01 4.22 -2.995590609e-01 -2.995590609e-01 4.24 -2.847967849e-01 -2.847967849e-01 4.26 -2.706229649e-01 -2.706229649e-01 4.28 -2.570199500e-01 -2.570199500e-01 4.30 -2.439704650e-01 -2.439704650e-01 4.32 -2.314576152e-01 -2.314576152e-01 4.34 -2.194648903e-01 -2.194648903e-01 4.36 -2.079761657e-01 -2.079761657e-01 4.38 -1.969757041e-01 -1.969757041e-01 4.40 -1.864481550e-01 -1.864481550e-01 4.42 -1.763785538e-01 -1.763785538e-01 4.44 -1.667523210e-01 -1.667523210e-01 4.46 -1.575552566e-01 -1.575552566e-01 4.48 -1.487735370e-01 -1.487735370e-01 4.50 -1.403937134e-01 -1.403937134e-01 4.52 -1.324027065e-01 -1.324027065e-01 4.54 -1.247877431e-01 -1.247877431e-01 4.56 -1.175359739e-01 -1.175359739e-01 4.58 -1.106355687e-01 -1.106355687e-01 4.60 -1.040752313e-01 -1.040752313e-01 4.62 -9.784386143e-02 -9.784386143e-02 4.64 -9.193058695e-02 -9.193058695e-02 4.66 -8.632478787e-02 -8.632478787e-02 4.68 -8.101611400e-02 -8.101611400e-02 4.70 -7.599449711e-02 -7.599449711e-02 4.72 -7.125015858e-02 -7.125015858e-02 4.74 -6.677361342e-02 -6.677361342e-02 4.76 -6.255567116e-02 -6.255567116e-02 4.78 -5.858743442e-02 -5.858743442e-02 4.80 -5.486029539e-02 -5.486029539e-02 4.82 -5.136593093e-02 -5.136593093e-02 4.84 -4.809629633e-02 -4.809629633e-02 4.86 -4.503806940e-02 -4.503806940e-02 4.88 -4.215083310e-02 -4.215083310e-02 4.90 -3.940950079e-02 -3.940950079e-02 4.92 -3.679421283e-02 -3.679421283e-02 4.94 -3.430058594e-02 -3.430058594e-02 4.96 -3.192475774e-02 -3.192475774e-02 4.98 -2.966297821e-02 -2.966297821e-02 5.00 -2.751160753e-02 -2.751160753e-02 5.02 -2.546711112e-02 -2.546711112e-02 5.04 -2.352605892e-02 -2.352605892e-02 5.06 -2.168512303e-02 -2.168512303e-02 5.08 -1.994107524e-02 -1.994107524e-02 5.10 -1.829078447e-02 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-1.194864888e-05 -1.194864888e-05 5.64 2.514131763e-11 2.514131763e-11 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00