# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = CuNi2Pd # 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 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 4.227217373e+02 4.227217373e+02 0.98 3.876186308e+02 3.876186308e+02 1.00 3.557213300e+02 3.557213300e+02 1.02 3.266813286e+02 3.266813286e+02 1.04 3.002061238e+02 3.002061238e+02 1.06 2.760362114e+02 2.760362114e+02 1.08 2.539393189e+02 2.539393189e+02 1.10 2.337121701e+02 2.337121701e+02 1.12 2.151736585e+02 2.151736585e+02 1.14 1.981598411e+02 1.981598411e+02 1.16 1.825379940e+02 1.825379940e+02 1.18 1.681805427e+02 1.681805427e+02 1.20 1.549781372e+02 1.549781372e+02 1.22 1.428227625e+02 1.428227625e+02 1.24 1.316314806e+02 1.316314806e+02 1.26 1.213202688e+02 1.213202688e+02 1.28 1.118134330e+02 1.118134330e+02 1.30 1.030444174e+02 1.030444174e+02 1.32 9.495207385e+01 9.495207385e+01 1.34 8.748126835e+01 8.748126835e+01 1.36 8.058424891e+01 8.058424891e+01 1.38 7.421410339e+01 7.421410339e+01 1.40 6.832707540e+01 6.832707540e+01 1.42 6.288483868e+01 6.288483868e+01 1.44 5.785562717e+01 5.785562717e+01 1.46 5.320572494e+01 5.320572494e+01 1.48 4.890583240e+01 4.890583240e+01 1.50 4.493105523e+01 4.493105523e+01 1.52 4.125703744e+01 4.125703744e+01 1.54 3.786014497e+01 3.786014497e+01 1.56 3.471937997e+01 3.471937997e+01 1.58 3.181576870e+01 3.181576870e+01 1.60 2.913253823e+01 2.913253823e+01 1.62 2.665201344e+01 2.665201344e+01 1.64 2.436036850e+01 2.436036850e+01 1.66 2.224256893e+01 2.224256893e+01 1.68 2.028597381e+01 2.028597381e+01 1.70 1.847950284e+01 1.847950284e+01 1.72 1.681056441e+01 1.681056441e+01 1.74 1.527116343e+01 1.527116343e+01 1.76 1.385116650e+01 1.385116650e+01 1.78 1.248997361e+01 1.248997361e+01 1.80 1.123472453e+01 1.123472453e+01 1.82 1.005893801e+01 1.005893801e+01 1.84 8.948165832e+00 8.948165832e+00 1.86 7.900453054e+00 7.900453054e+00 1.88 6.912266307e+00 6.912266307e+00 1.90 5.983518114e+00 5.983518114e+00 1.92 5.111686823e+00 5.111686823e+00 1.94 4.294721164e+00 4.294721164e+00 1.96 3.530919965e+00 3.530919965e+00 1.98 2.817397982e+00 2.817397982e+00 2.00 2.152449833e+00 2.152449833e+00 2.02 1.534304377e+00 1.534304377e+00 2.04 9.609021483e-01 9.609021483e-01 2.06 4.311568879e-01 4.311568879e-01 2.08 -5.859862362e-02 -5.859862362e-02 2.10 -5.103664449e-01 -5.103664449e-01 2.12 -9.260580843e-01 -9.260580843e-01 2.14 -1.307351176e+00 -1.307351176e+00 2.16 -1.656123612e+00 -1.656123612e+00 2.18 -1.974024466e+00 -1.974024466e+00 2.20 -2.262763256e+00 -2.262763256e+00 2.22 -2.523793880e+00 -2.523793880e+00 2.24 -2.758410418e+00 -2.758410418e+00 2.26 -2.968783711e+00 -2.968783711e+00 2.28 -3.156384093e+00 -3.156384093e+00 2.30 -3.322301166e+00 -3.322301166e+00 2.32 -3.468116439e+00 -3.468116439e+00 2.34 -3.595262703e+00 -3.595262703e+00 2.36 -3.704851131e+00 -3.704851131e+00 2.38 -3.797913950e+00 -3.797913950e+00 2.40 -3.875834806e+00 -3.875834806e+00 2.42 -3.940018255e+00 -3.940018255e+00 2.44 -3.991108079e+00 -3.991108079e+00 2.46 -4.029689002e+00 -4.029689002e+00 2.48 -4.057156026e+00 -4.057156026e+00 2.50 -4.074532002e+00 -4.074532002e+00 2.52 -4.083141725e+00 -4.083141725e+00 2.54 -4.083374488e+00 -4.083374488e+00 2.56 -4.075603751e+00 -4.075603751e+00 2.58 -4.060506318e+00 -4.060506318e+00 2.60 -4.039363786e+00 -4.039363786e+00 2.62 -4.012084277e+00 -4.012084277e+00 2.64 -3.979208125e+00 -3.979208125e+00 2.66 -3.941424710e+00 -3.941424710e+00 2.68 -3.899265007e+00 -3.899265007e+00 2.70 -3.852356808e+00 -3.852356808e+00 2.72 -3.801687230e+00 -3.801687230e+00 2.74 -3.747947371e+00 -3.747947371e+00 2.76 -3.691522476e+00 -3.691522476e+00 2.78 -3.632651767e+00 -3.632651767e+00 2.80 -3.571389229e+00 -3.571389229e+00 2.82 -3.508461524e+00 -3.508461524e+00 2.84 -3.444129743e+00 -3.444129743e+00 2.86 -3.378649601e+00 -3.378649601e+00 2.88 -3.312256231e+00 -3.312256231e+00 2.90 -3.245165394e+00 -3.245165394e+00 2.92 -3.177574009e+00 -3.177574009e+00 2.94 -3.109733937e+00 -3.109733937e+00 2.96 -3.041769524e+00 -3.041769524e+00 2.98 -2.973502171e+00 -2.973502171e+00 3.00 -2.905394857e+00 -2.905394857e+00 3.02 -2.837565740e+00 -2.837565740e+00 3.04 -2.770321841e+00 -2.770321841e+00 3.06 -2.703823135e+00 -2.703823135e+00 3.08 -2.637876693e+00 -2.637876693e+00 3.10 -2.572565680e+00 -2.572565680e+00 3.12 -2.507960775e+00 -2.507960775e+00 3.14 -2.444124430e+00 -2.444124430e+00 3.16 -2.381111561e+00 -2.381111561e+00 3.18 -2.318970110e+00 -2.318970110e+00 3.20 -2.257741567e+00 -2.257741567e+00 3.22 -2.197461543e+00 -2.197461543e+00 3.24 -2.138157939e+00 -2.138157939e+00 3.26 -2.080160026e+00 -2.080160026e+00 3.28 -2.023287323e+00 -2.023287323e+00 3.30 -1.967431812e+00 -1.967431812e+00 3.32 -1.912570600e+00 -1.912570600e+00 3.34 -1.858660177e+00 -1.858660177e+00 3.36 -1.805698253e+00 -1.805698253e+00 3.38 -1.753762872e+00 -1.753762872e+00 3.40 -1.702735508e+00 -1.702735508e+00 3.42 -1.652556439e+00 -1.652556439e+00 3.44 -1.603383581e+00 -1.603383581e+00 3.46 -1.555313424e+00 -1.555313424e+00 3.48 -1.508323088e+00 -1.508323088e+00 3.50 -1.462357903e+00 -1.462357903e+00 3.52 -1.417358919e+00 -1.417358919e+00 3.54 -1.373301400e+00 -1.373301400e+00 3.56 -1.330225204e+00 -1.330225204e+00 3.58 -1.288167434e+00 -1.288167434e+00 3.60 -1.247143629e+00 -1.247143629e+00 3.62 -1.207127453e+00 -1.207127453e+00 3.64 -1.168090962e+00 -1.168090962e+00 3.66 -1.130018775e+00 -1.130018775e+00 3.68 -1.092898517e+00 -1.092898517e+00 3.70 -1.056703642e+00 -1.056703642e+00 3.72 -1.021413585e+00 -1.021413585e+00 3.74 -9.870233494e-01 -9.870233494e-01 3.76 -9.535280200e-01 -9.535280200e-01 3.78 -9.208830475e-01 -9.208830475e-01 3.80 -8.890169229e-01 -8.890169229e-01 3.82 -8.579545346e-01 -8.579545346e-01 3.84 -8.277276302e-01 -8.277276302e-01 3.86 -7.983593881e-01 -7.983593881e-01 3.88 -7.698656242e-01 -7.698656242e-01 3.90 -7.421690307e-01 -7.421690307e-01 3.92 -7.152295657e-01 -7.152295657e-01 3.94 -6.890786789e-01 -6.890786789e-01 3.96 -6.636670948e-01 -6.636670948e-01 3.98 -6.389589169e-01 -6.389589169e-01 4.00 -6.149304255e-01 -6.149304255e-01 4.02 -5.915667516e-01 -5.915667516e-01 4.04 -5.688838691e-01 -5.688838691e-01 4.06 -5.469990655e-01 -5.469990655e-01 4.08 -5.257234118e-01 -5.257234118e-01 4.10 -5.048559606e-01 -5.048559606e-01 4.12 -4.842458033e-01 -4.842458033e-01 4.14 -4.638026585e-01 -4.638026585e-01 4.16 -4.436259867e-01 -4.436259867e-01 4.18 -4.244035824e-01 -4.244035824e-01 4.20 -4.053760347e-01 -4.053760347e-01 4.22 -3.865678936e-01 -3.865678936e-01 4.24 -3.680004144e-01 -3.680004144e-01 4.26 -3.496951402e-01 -3.496951402e-01 4.28 -3.316460957e-01 -3.316460957e-01 4.30 -3.143413032e-01 -3.143413032e-01 4.32 -2.974993408e-01 -2.974993408e-01 4.34 -2.809873998e-01 -2.809873998e-01 4.36 -2.648841893e-01 -2.648841893e-01 4.38 -2.492455133e-01 -2.492455133e-01 4.40 -2.341124644e-01 -2.341124644e-01 4.42 -2.195138991e-01 -2.195138991e-01 4.44 -2.054685388e-01 -2.054685388e-01 4.46 -1.919867596e-01 -1.919867596e-01 4.48 -1.790721104e-01 -1.790721104e-01 4.50 -1.667226012e-01 -1.667226012e-01 4.52 -1.549317940e-01 -1.549317940e-01 4.54 -1.436897204e-01 -1.436897204e-01 4.56 -1.329836570e-01 -1.329836570e-01 4.58 -1.227995153e-01 -1.227995153e-01 4.60 -1.132749760e-01 -1.132749760e-01 4.62 -1.043769104e-01 -1.043769104e-01 4.64 -9.592789830e-02 -9.592789830e-02 4.66 -8.791049635e-02 -8.791049635e-02 4.68 -8.030701894e-02 -8.030701894e-02 4.70 -7.309973815e-02 -7.309973815e-02 4.72 -6.627104577e-02 -6.627104577e-02 4.74 -5.980358251e-02 -5.980358251e-02 4.76 -5.368033964e-02 -5.368033964e-02 4.78 -4.789109134e-02 -4.789109134e-02 4.80 -4.245310285e-02 -4.245310285e-02 4.82 -3.832200046e-02 -3.832200046e-02 4.84 -3.445409721e-02 -3.445409721e-02 4.86 -3.079557751e-02 -3.079557751e-02 4.88 -2.733301533e-02 -2.733301533e-02 4.90 -2.405647802e-02 -2.405647802e-02 4.92 -2.095600857e-02 -2.095600857e-02 4.94 -1.798352320e-02 -1.798352320e-02 4.96 -1.586312670e-02 -1.586312670e-02 4.98 -1.450169762e-02 -1.450169762e-02 5.00 -1.318325822e-02 -1.318325822e-02 5.02 -1.193364960e-02 -1.193364960e-02 5.04 -1.074955387e-02 -1.074955387e-02 5.06 -9.627626325e-03 -9.627626325e-03 5.08 -8.564687205e-03 -8.564687205e-03 5.10 -7.557714167e-03 -7.557714167e-03 5.12 -6.603835042e-03 -6.603835042e-03 5.14 -5.700320825e-03 -5.700320825e-03 5.16 -4.844578924e-03 -4.844578924e-03 5.18 -4.034146674e-03 -4.034146674e-03 5.20 -3.266685106e-03 -3.266685106e-03 5.22 -2.539972959e-03 -2.539972959e-03 5.24 -1.851900966e-03 -1.851900966e-03 5.26 -1.200466382e-03 -1.200466382e-03 5.28 -5.841462168e-04 -5.841462168e-04 5.30 -9.135529121e-16 -9.124840673e-16 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 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