# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au2PdPt # 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 nan nan 0.98 1.110183062e+03 1.110183062e+03 1.00 1.020714416e+03 1.020714416e+03 1.02 9.392603887e+02 9.392603887e+02 1.04 8.650029402e+02 8.650029402e+02 1.06 7.972196142e+02 7.972196142e+02 1.08 7.352716026e+02 7.352716026e+02 1.10 6.785894559e+02 6.785894559e+02 1.12 6.266682595e+02 6.266682595e+02 1.14 5.790581557e+02 5.790581557e+02 1.16 5.353564755e+02 5.353564755e+02 1.18 4.952036816e+02 4.952036816e+02 1.20 4.582777424e+02 4.582777424e+02 1.22 4.242894868e+02 4.242894868e+02 1.24 3.929775960e+02 3.929775960e+02 1.26 3.641079040e+02 3.641079040e+02 1.28 3.374693009e+02 3.374693009e+02 1.30 3.128715410e+02 3.128715410e+02 1.32 2.901411274e+02 2.901411274e+02 1.34 2.691216732e+02 2.691216732e+02 1.36 2.496715258e+02 2.496715258e+02 1.38 2.316620213e+02 2.316620213e+02 1.40 2.149762379e+02 2.149762379e+02 1.42 1.995079234e+02 1.995079234e+02 1.44 1.851595794e+02 1.851595794e+02 1.46 1.718427905e+02 1.718427905e+02 1.48 1.594766951e+02 1.594766951e+02 1.50 1.479874375e+02 1.479874375e+02 1.52 1.373074945e+02 1.373074945e+02 1.54 1.273750541e+02 1.273750541e+02 1.56 1.181335873e+02 1.181335873e+02 1.58 1.095309450e+02 1.095309450e+02 1.60 1.015189825e+02 1.015189825e+02 1.62 9.405396300e+01 9.405396300e+01 1.64 8.709556617e+01 8.709556617e+01 1.66 8.060673085e+01 8.060673085e+01 1.68 7.455336466e+01 7.455336466e+01 1.70 6.890405707e+01 6.890405707e+01 1.72 6.362984932e+01 6.362984932e+01 1.74 5.870398503e+01 5.870398503e+01 1.76 5.410179828e+01 5.410179828e+01 1.78 4.980075514e+01 4.980075514e+01 1.80 4.577951115e+01 4.577951115e+01 1.82 4.201846994e+01 4.201846994e+01 1.84 3.849964836e+01 3.849964836e+01 1.86 3.520640320e+01 3.520640320e+01 1.88 3.212843111e+01 3.212843111e+01 1.90 2.924933980e+01 2.924933980e+01 1.92 2.656563959e+01 2.656563959e+01 1.94 2.406469815e+01 2.406469815e+01 1.96 2.173544935e+01 2.173544935e+01 1.98 1.956747307e+01 1.956747307e+01 2.00 1.755090157e+01 1.755090157e+01 2.02 1.567648818e+01 1.567648818e+01 2.04 1.393552307e+01 1.393552307e+01 2.06 1.231975454e+01 1.231975454e+01 2.08 1.082137705e+01 1.082137705e+01 2.10 9.433165964e+00 9.433165964e+00 2.12 8.148331832e+00 8.148331832e+00 2.14 6.960262108e+00 6.960262108e+00 2.16 5.862803788e+00 5.862803788e+00 2.18 4.850203380e+00 4.850203380e+00 2.20 3.917091191e+00 3.917091191e+00 2.22 3.058287426e+00 3.058287426e+00 2.24 2.269067683e+00 2.269067683e+00 2.26 1.544962903e+00 1.544962903e+00 2.28 8.817917838e-01 8.817917838e-01 2.30 2.756295297e-01 2.756295297e-01 2.32 -2.774964345e-01 -2.774964345e-01 2.34 -7.810508497e-01 -7.810508497e-01 2.36 -1.238373283e+00 -1.238373283e+00 2.38 -1.652606317e+00 -1.652606317e+00 2.40 -2.026499376e+00 -2.026499376e+00 2.42 -2.362926922e+00 -2.362926922e+00 2.44 -2.664405348e+00 -2.664405348e+00 2.46 -2.933570711e+00 -2.933570711e+00 2.48 -3.172731330e+00 -3.172731330e+00 2.50 -3.384053400e+00 -3.384053400e+00 2.52 -3.569569008e+00 -3.569569008e+00 2.54 -3.731183660e+00 -3.731183660e+00 2.56 -3.870624067e+00 -3.870624067e+00 2.58 -3.989452376e+00 -3.989452376e+00 2.60 -4.089408119e+00 -4.089408119e+00 2.62 -4.171959748e+00 -4.171959748e+00 2.64 -4.238481403e+00 -4.238481403e+00 2.66 -4.290397851e+00 -4.290397851e+00 2.68 -4.328760759e+00 -4.328760759e+00 2.70 -4.354584685e+00 -4.354584685e+00 2.72 -4.368896564e+00 -4.368896564e+00 2.74 -4.372815536e+00 -4.372815536e+00 2.76 -4.367248756e+00 -4.367248756e+00 2.78 -4.353632769e+00 -4.353632769e+00 2.80 -4.332635466e+00 -4.332635466e+00 2.82 -4.304543418e+00 -4.304543418e+00 2.84 -4.270038335e+00 -4.270038335e+00 2.86 -4.229756232e+00 -4.229756232e+00 2.88 -4.184289130e+00 -4.184289130e+00 2.90 -4.134236564e+00 -4.134236564e+00 2.92 -4.080596310e+00 -4.080596310e+00 2.94 -4.023264810e+00 -4.023264810e+00 2.96 -3.962718897e+00 -3.962718897e+00 2.98 -3.898776143e+00 -3.898776143e+00 3.00 -3.832223678e+00 -3.832223678e+00 3.02 -3.763608395e+00 -3.763608395e+00 3.04 -3.693251726e+00 -3.693251726e+00 3.06 -3.621441145e+00 -3.621441145e+00 3.08 -3.548236592e+00 -3.548236592e+00 3.10 -3.473199764e+00 -3.473199764e+00 3.12 -3.397418423e+00 -3.397418423e+00 3.14 -3.321235184e+00 -3.321235184e+00 3.16 -3.244843853e+00 -3.244843853e+00 3.18 -3.168421462e+00 -3.168421462e+00 3.20 -3.092128310e+00 -3.092128310e+00 3.22 -3.016110038e+00 -3.016110038e+00 3.24 -2.940487024e+00 -2.940487024e+00 3.26 -2.865983890e+00 -2.865983890e+00 3.28 -2.792282836e+00 -2.792282836e+00 3.30 -2.719271092e+00 -2.719271092e+00 3.32 -2.647036428e+00 -2.647036428e+00 3.34 -2.575658178e+00 -2.575658178e+00 3.36 -2.505206921e+00 -2.505206921e+00 3.38 -2.435744662e+00 -2.435744662e+00 3.40 -2.367349820e+00 -2.367349820e+00 3.42 -2.300367395e+00 -2.300367395e+00 3.44 -2.234499782e+00 -2.234499782e+00 3.46 -2.169783827e+00 -2.169783827e+00 3.48 -2.106249191e+00 -2.106249191e+00 3.50 -2.043922355e+00 -2.043922355e+00 3.52 -1.982822659e+00 -1.982822659e+00 3.54 -1.922966195e+00 -1.922966195e+00 3.56 -1.864367486e+00 -1.864367486e+00 3.58 -1.807038352e+00 -1.807038352e+00 3.60 -1.750973430e+00 -1.750973430e+00 3.62 -1.696171460e+00 -1.696171460e+00 3.64 -1.642624050e+00 -1.642624050e+00 3.66 -1.590282368e+00 -1.590282368e+00 3.68 -1.539123191e+00 -1.539123191e+00 3.70 -1.489166987e+00 -1.489166987e+00 3.72 -1.440417007e+00 -1.440417007e+00 3.74 -1.392835480e+00 -1.392835480e+00 3.76 -1.346384439e+00 -1.346384439e+00 3.78 -1.301066786e+00 -1.301066786e+00 3.80 -1.256899086e+00 -1.256899086e+00 3.82 -1.213904652e+00 -1.213904652e+00 3.84 -1.172079705e+00 -1.172079705e+00 3.86 -1.131422551e+00 -1.131422551e+00 3.88 -1.091900069e+00 -1.091900069e+00 3.90 -1.053482941e+00 -1.053482941e+00 3.92 -1.016150638e+00 -1.016150638e+00 3.94 -9.798971749e-01 -9.798971749e-01 3.96 -9.447173635e-01 -9.447173635e-01 3.98 -9.105620257e-01 -9.105620257e-01 4.00 -8.773072238e-01 -8.773072238e-01 4.02 -8.449343570e-01 -8.449343570e-01 4.04 -8.135038977e-01 -8.135038977e-01 4.06 -7.830858569e-01 -7.830858569e-01 4.08 -7.537291206e-01 -7.537291206e-01 4.10 -7.254649751e-01 -7.254649751e-01 4.12 -6.983118191e-01 -6.983118191e-01 4.14 -6.723853991e-01 -6.723853991e-01 4.16 -6.476439301e-01 -6.476439301e-01 4.18 -6.238784918e-01 -6.238784918e-01 4.20 -6.008354240e-01 -6.008354240e-01 4.22 -5.783258896e-01 -5.783258896e-01 4.24 -5.562136133e-01 -5.562136133e-01 4.26 -5.344043833e-01 -5.344043833e-01 4.28 -5.128372931e-01 -5.128372931e-01 4.30 -4.914774652e-01 -4.914774652e-01 4.32 -4.703100363e-01 -4.703100363e-01 4.34 -4.493352089e-01 -4.493352089e-01 4.36 -4.285642103e-01 -4.285642103e-01 4.38 -4.079745632e-01 -4.079745632e-01 4.40 -3.875537521e-01 -3.875537521e-01 4.42 -3.674182301e-01 -3.674182301e-01 4.44 -3.476939151e-01 -3.476939151e-01 4.46 -3.284775341e-01 -3.284775341e-01 4.48 -3.098415602e-01 -3.098415602e-01 4.50 -2.918383980e-01 -2.918383980e-01 4.52 -2.745039279e-01 -2.745039279e-01 4.54 -2.578605005e-01 -2.578605005e-01 4.56 -2.419192920e-01 -2.419192920e-01 4.58 -2.266684901e-01 -2.266684901e-01 4.60 -2.125114651e-01 -2.125114651e-01 4.62 -1.994009689e-01 -1.994009689e-01 4.64 -1.869111289e-01 -1.869111289e-01 4.66 -1.750389312e-01 -1.750389312e-01 4.68 -1.637651497e-01 -1.637651497e-01 4.70 -1.530689701e-01 -1.530689701e-01 4.72 -1.429285528e-01 -1.429285528e-01 4.74 -1.333214451e-01 -1.333214451e-01 4.76 -1.242249153e-01 -1.242249153e-01 4.78 -1.156162213e-01 -1.156162213e-01 4.80 -1.074629701e-01 -1.074629701e-01 4.82 -1.000446897e-01 -1.000446897e-01 4.84 -9.314361278e-02 -9.314361278e-02 4.86 -8.661630713e-02 -8.661630713e-02 4.88 -8.044411184e-02 -8.044411184e-02 4.90 -7.460902361e-02 -7.460902361e-02 4.92 -6.909372352e-02 -6.909372352e-02 4.94 -6.388159257e-02 -6.388159257e-02 4.96 -5.895671693e-02 -5.895671693e-02 4.98 -5.430388606e-02 -5.430388606e-02 5.00 -4.990858477e-02 -4.990858477e-02 5.02 -4.575698122e-02 -4.575698122e-02 5.04 -4.183591106e-02 -4.183591106e-02 5.06 -3.813285761e-02 -3.813285761e-02 5.08 -3.463593125e-02 -3.463593125e-02 5.10 -3.133384705e-02 -3.133384705e-02 5.12 -2.821590190e-02 -2.821590190e-02 5.14 -2.527195053e-02 -2.527195053e-02 5.16 -2.249238149e-02 -2.249238149e-02 5.18 -1.986809331e-02 -1.986809331e-02 5.20 -1.739047100e-02 -1.739047100e-02 5.22 -1.505136318e-02 -1.505136318e-02 5.24 -1.284305914e-02 -1.284305914e-02 5.26 -1.075823856e-02 -1.075823856e-02 5.28 -8.791865062e-03 -8.791865062e-03 5.30 -6.977721048e-03 -6.977721048e-03 5.32 -6.166087638e-03 -6.166087638e-03 5.34 -5.431995009e-03 -5.431995009e-03 5.36 -4.748718079e-03 -4.748718079e-03 5.38 -4.106495282e-03 -4.106495282e-03 5.40 -3.502930089e-03 -3.502930089e-03 5.42 -2.935761571e-03 -2.935761571e-03 5.44 -2.402856984e-03 -2.402856984e-03 5.46 -1.902204760e-03 -1.902204760e-03 5.48 -1.431907896e-03 -1.431907896e-03 5.50 -9.901776665e-04 -9.901776665e-04 5.52 -5.753275990e-04 -5.753275990e-04 5.54 -1.832673621e-04 -1.832673621e-04 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 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