# 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 = AgAu2Ni # 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 7.239869331e+02 7.239869331e+02 1.00 6.595307175e+02 6.595307175e+02 1.02 6.012453523e+02 6.012453523e+02 1.04 5.485173193e+02 5.485173193e+02 1.06 5.007957845e+02 5.007957845e+02 1.08 4.575858112e+02 4.575858112e+02 1.10 4.184467074e+02 4.184467074e+02 1.12 3.829741023e+02 3.829741023e+02 1.14 3.508083294e+02 3.508083294e+02 1.16 3.216272603e+02 3.216272603e+02 1.18 2.951379513e+02 2.951379513e+02 1.20 2.710760973e+02 2.710760973e+02 1.22 2.492034635e+02 2.492034635e+02 1.24 2.293057960e+02 2.293057960e+02 1.26 2.111879074e+02 2.111879074e+02 1.28 1.946751850e+02 1.946751850e+02 1.30 1.796120915e+02 1.796120915e+02 1.32 1.658564280e+02 1.658564280e+02 1.34 1.532802029e+02 1.532802029e+02 1.36 1.417688207e+02 1.417688207e+02 1.38 1.312201189e+02 1.312201189e+02 1.40 1.215409142e+02 1.215409142e+02 1.42 1.126492486e+02 1.126492486e+02 1.44 1.044701906e+02 1.044701906e+02 1.46 9.693634879e+01 9.693634879e+01 1.48 8.998674109e+01 8.998674109e+01 1.50 8.356797664e+01 8.356797664e+01 1.52 7.763217196e+01 7.763217196e+01 1.54 7.213568157e+01 7.213568157e+01 1.56 6.703962171e+01 6.703962171e+01 1.58 6.230897416e+01 6.230897416e+01 1.60 5.791229236e+01 5.791229236e+01 1.62 5.382152379e+01 5.382152379e+01 1.64 5.000993615e+01 5.000993615e+01 1.66 4.645550844e+01 4.645550844e+01 1.68 4.313794701e+01 4.313794701e+01 1.70 4.003847056e+01 4.003847056e+01 1.72 3.713945258e+01 3.713945258e+01 1.74 3.442684291e+01 3.442684291e+01 1.76 3.188684286e+01 3.188684286e+01 1.78 2.950693136e+01 2.950693136e+01 1.80 2.727572387e+01 2.727572387e+01 1.82 2.518284942e+01 2.518284942e+01 1.84 2.321884154e+01 2.321884154e+01 1.86 2.137651361e+01 2.137651361e+01 1.88 1.962964976e+01 1.962964976e+01 1.90 1.798482410e+01 1.798482410e+01 1.92 1.644614552e+01 1.644614552e+01 1.94 1.498897702e+01 1.498897702e+01 1.96 1.361031125e+01 1.361031125e+01 1.98 1.230719878e+01 1.230719878e+01 2.00 1.107696619e+01 1.107696619e+01 2.02 9.916916129e+00 9.916916129e+00 2.04 8.824384637e+00 8.824384637e+00 2.06 7.796752381e+00 7.796752381e+00 2.08 6.831431841e+00 6.831431841e+00 2.10 5.925742888e+00 5.925742888e+00 2.12 5.077400848e+00 5.077400848e+00 2.14 4.283969835e+00 4.283969835e+00 2.16 3.543364078e+00 3.543364078e+00 2.18 2.853128096e+00 2.853128096e+00 2.20 2.210696019e+00 2.210696019e+00 2.22 1.613586934e+00 1.613586934e+00 2.24 1.059886588e+00 1.059886588e+00 2.26 5.476177238e-01 5.476177238e-01 2.28 7.474528490e-02 7.474528490e-02 2.30 -3.607086895e-01 -3.607086895e-01 2.32 -7.606649534e-01 -7.606649534e-01 2.34 -1.126987175e+00 -1.126987175e+00 2.36 -1.461405312e+00 -1.461405312e+00 2.38 -1.765735145e+00 -1.765735145e+00 2.40 -2.041618476e+00 -2.041618476e+00 2.42 -2.290833307e+00 -2.290833307e+00 2.44 -2.514673982e+00 -2.514673982e+00 2.46 -2.714857745e+00 -2.714857745e+00 2.48 -2.892859051e+00 -2.892859051e+00 2.50 -3.050092206e+00 -3.050092206e+00 2.52 -3.188120831e+00 -3.188120831e+00 2.54 -3.308182148e+00 -3.308182148e+00 2.56 -3.411417465e+00 -3.411417465e+00 2.58 -3.499009286e+00 -3.499009286e+00 2.60 -3.572085770e+00 -3.572085770e+00 2.62 -3.631721040e+00 -3.631721040e+00 2.64 -3.678935444e+00 -3.678935444e+00 2.66 -3.714660485e+00 -3.714660485e+00 2.68 -3.739843729e+00 -3.739843729e+00 2.70 -3.755155426e+00 -3.755155426e+00 2.72 -3.761592069e+00 -3.761592069e+00 2.74 -3.759944936e+00 -3.759944936e+00 2.76 -3.750935012e+00 -3.750935012e+00 2.78 -3.735284271e+00 -3.735284271e+00 2.80 -3.713683009e+00 -3.713683009e+00 2.82 -3.686146966e+00 -3.686146966e+00 2.84 -3.653715704e+00 -3.653715704e+00 2.86 -3.616897178e+00 -3.616897178e+00 2.88 -3.576163595e+00 -3.576163595e+00 2.90 -3.531992826e+00 -3.531992826e+00 2.92 -3.485189693e+00 -3.485189693e+00 2.94 -3.435664449e+00 -3.435664449e+00 2.96 -3.384042911e+00 -3.384042911e+00 2.98 -3.330344522e+00 -3.330344522e+00 3.00 -3.274867365e+00 -3.274867365e+00 3.02 -3.217884911e+00 -3.217884911e+00 3.04 -3.159681551e+00 -3.159681551e+00 3.06 -3.100040322e+00 -3.100040322e+00 3.08 -3.039316697e+00 -3.039316697e+00 3.10 -2.978016889e+00 -2.978016889e+00 3.12 -2.916276986e+00 -2.916276986e+00 3.14 -2.854225950e+00 -2.854225950e+00 3.16 -2.792064439e+00 -2.792064439e+00 3.18 -2.729930648e+00 -2.729930648e+00 3.20 -2.667940971e+00 -2.667940971e+00 3.22 -2.606201778e+00 -2.606201778e+00 3.24 -2.544808802e+00 -2.544808802e+00 3.26 -2.483848090e+00 -2.483848090e+00 3.28 -2.423396834e+00 -2.423396834e+00 3.30 -2.363523997e+00 -2.363523997e+00 3.32 -2.304290799e+00 -2.304290799e+00 3.34 -2.245751520e+00 -2.245751520e+00 3.36 -2.187954466e+00 -2.187954466e+00 3.38 -2.130941425e+00 -2.130941425e+00 3.40 -2.074778590e+00 -2.074778590e+00 3.42 -2.019869684e+00 -2.019869684e+00 3.44 -1.965815725e+00 -1.965815725e+00 3.46 -1.912649095e+00 -1.912649095e+00 3.48 -1.860414437e+00 -1.860414437e+00 3.50 -1.809054512e+00 -1.809054512e+00 3.52 -1.758493836e+00 -1.758493836e+00 3.54 -1.708809335e+00 -1.708809335e+00 3.56 -1.660089040e+00 -1.660089040e+00 3.58 -1.612340252e+00 -1.612340252e+00 3.60 -1.565572384e+00 -1.565572384e+00 3.62 -1.519790562e+00 -1.519790562e+00 3.64 -1.474957865e+00 -1.474957865e+00 3.66 -1.431038383e+00 -1.431038383e+00 3.68 -1.388007971e+00 -1.388007971e+00 3.70 -1.345877133e+00 -1.345877133e+00 3.72 -1.304668330e+00 -1.304668330e+00 3.74 -1.264399563e+00 -1.264399563e+00 3.76 -1.225062178e+00 -1.225062178e+00 3.78 -1.186636370e+00 -1.186636370e+00 3.80 -1.149120132e+00 -1.149120132e+00 3.82 -1.112514499e+00 -1.112514499e+00 3.84 -1.076827258e+00 -1.076827258e+00 3.86 -1.041933363e+00 -1.041933363e+00 3.88 -1.007786251e+00 -1.007786251e+00 3.90 -9.744704124e-01 -9.744704124e-01 3.92 -9.420632212e-01 -9.420632212e-01 3.94 -9.106226311e-01 -9.106226311e-01 3.96 -8.801860328e-01 -8.801860328e-01 3.98 -8.506820483e-01 -8.506820483e-01 4.00 -8.221895148e-01 -8.221895148e-01 4.02 -7.945987258e-01 -7.945987258e-01 4.04 -7.677774935e-01 -7.677774935e-01 4.06 -7.416352202e-01 -7.416352202e-01 4.08 -7.161130446e-01 -7.161130446e-01 4.10 -6.911759076e-01 -6.911759076e-01 4.12 -6.668680354e-01 -6.668680354e-01 4.14 -6.432122245e-01 -6.432122245e-01 4.16 -6.201087117e-01 -6.201087117e-01 4.18 -5.975946843e-01 -5.975946843e-01 4.20 -5.752178194e-01 -5.752178194e-01 4.22 -5.528311325e-01 -5.528311325e-01 4.24 -5.304478233e-01 -5.304478233e-01 4.26 -5.081349718e-01 -5.081349718e-01 4.28 -4.859555887e-01 -4.859555887e-01 4.30 -4.639683447e-01 -4.639683447e-01 4.32 -4.422273805e-01 -4.422273805e-01 4.34 -4.207821979e-01 -4.207821979e-01 4.36 -3.996725062e-01 -3.996725062e-01 4.38 -3.788990972e-01 -3.788990972e-01 4.40 -3.585081273e-01 -3.585081273e-01 4.42 -3.386101076e-01 -3.386101076e-01 4.44 -3.192959679e-01 -3.192959679e-01 4.46 -3.006320334e-01 -3.006320334e-01 4.48 -2.826644368e-01 -2.826644368e-01 4.50 -2.654228285e-01 -2.654228285e-01 4.52 -2.489234916e-01 -2.489234916e-01 4.54 -2.331719535e-01 -2.331719535e-01 4.56 -2.181651717e-01 -2.181651717e-01 4.58 -2.038933496e-01 -2.038933496e-01 4.60 -1.903414472e-01 -1.903414472e-01 4.62 -1.774904317e-01 -1.774904317e-01 4.64 -1.653183098e-01 -1.653183098e-01 4.66 -1.538009732e-01 -1.538009732e-01 4.68 -1.429128886e-01 -1.429128886e-01 4.70 -1.326276600e-01 -1.326276600e-01 4.72 -1.229184784e-01 -1.229184784e-01 4.74 -1.137584829e-01 -1.137584829e-01 4.76 -1.051210461e-01 -1.051210461e-01 4.78 -9.698352526e-02 -9.698352526e-02 4.80 -8.931111370e-02 -8.931111370e-02 4.82 -8.330417803e-02 -8.330417803e-02 4.84 -7.780073212e-02 -7.780073212e-02 4.86 -7.261311048e-02 -7.261311048e-02 4.88 -6.772468216e-02 -6.772468216e-02 4.90 -6.311939447e-02 -6.311939447e-02 4.92 -5.878186111e-02 -5.878186111e-02 4.94 -5.469737070e-02 -5.469737070e-02 4.96 -5.085188618e-02 -5.085188618e-02 4.98 -4.723203800e-02 -4.723203800e-02 5.00 -4.382511233e-02 -4.382511233e-02 5.02 -4.061903544e-02 -4.061903544e-02 5.04 -3.760235508e-02 -3.760235508e-02 5.06 -3.476421931e-02 -3.476421931e-02 5.08 -3.209435413e-02 -3.209435413e-02 5.10 -2.958304024e-02 -2.958304024e-02 5.12 -2.722108946e-02 -2.722108946e-02 5.14 -2.499982066e-02 -2.499982066e-02 5.16 -2.291103578e-02 -2.291103578e-02 5.18 -2.094699632e-02 -2.094699632e-02 5.20 -1.910040046e-02 -1.910040046e-02 5.22 -1.736436081e-02 -1.736436081e-02 5.24 -1.573238260e-02 -1.573238260e-02 5.26 -1.419834272e-02 -1.419834272e-02 5.28 -1.275646977e-02 -1.275646977e-02 5.30 -1.140132495e-02 -1.140132495e-02 5.32 -1.012778375e-02 -1.012778375e-02 5.34 -8.931018375e-03 -8.931018375e-03 5.36 -7.806481099e-03 -7.806481099e-03 5.38 -6.749888548e-03 -6.749888548e-03 5.40 -5.757206837e-03 -5.757206837e-03 5.42 -4.824637296e-03 -4.824637296e-03 5.44 -3.948602998e-03 -3.948602998e-03 5.46 -3.125736072e-03 -3.125736072e-03 5.48 -2.352865755e-03 -2.352865755e-03 5.50 -1.627007109e-03 -1.627007109e-03 5.52 -9.453502223e-04 -9.453502223e-04 5.54 -3.011406368e-04 -3.011406368e-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