# 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 = Ag2CuNi # 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 2.943215314e+02 2.943215314e+02 1.00 2.737476104e+02 2.737476104e+02 1.02 2.549376998e+02 2.549376998e+02 1.04 2.376757487e+02 2.376757487e+02 1.06 2.217734311e+02 2.217734311e+02 1.08 2.070798762e+02 2.070798762e+02 1.10 1.934601513e+02 1.934601513e+02 1.12 1.808012066e+02 1.808012066e+02 1.14 1.690041550e+02 1.690041550e+02 1.16 1.579908370e+02 1.579908370e+02 1.18 1.476896791e+02 1.476896791e+02 1.20 1.380421687e+02 1.380421687e+02 1.22 1.289928720e+02 1.289928720e+02 1.24 1.205009250e+02 1.205009250e+02 1.26 1.125243259e+02 1.125243259e+02 1.28 1.050268536e+02 1.050268536e+02 1.30 9.797729886e+01 9.797729886e+01 1.32 9.134644116e+01 9.134644116e+01 1.34 8.511012418e+01 8.511012418e+01 1.36 7.924576373e+01 7.924576373e+01 1.38 7.373187572e+01 7.373187572e+01 1.40 6.854925526e+01 6.854925526e+01 1.42 6.367882945e+01 6.367882945e+01 1.44 5.910383224e+01 5.910383224e+01 1.46 5.480755541e+01 5.480755541e+01 1.48 5.077607834e+01 5.077607834e+01 1.50 4.699703274e+01 4.699703274e+01 1.52 4.345711135e+01 4.345711135e+01 1.54 4.014272557e+01 4.014272557e+01 1.56 3.704261049e+01 3.704261049e+01 1.58 3.414507183e+01 3.414507183e+01 1.60 3.143897480e+01 3.143897480e+01 1.62 2.891217485e+01 2.891217485e+01 1.64 2.655579347e+01 2.655579347e+01 1.66 2.435976541e+01 2.435976541e+01 1.68 2.231518991e+01 2.231518991e+01 1.70 2.041398923e+01 2.041398923e+01 1.72 1.864685366e+01 1.864685366e+01 1.74 1.700702811e+01 1.700702811e+01 1.76 1.548623997e+01 1.548623997e+01 1.78 1.407732592e+01 1.407732592e+01 1.80 1.274119594e+01 1.274119594e+01 1.82 1.153503484e+01 1.153503484e+01 1.84 1.041962529e+01 1.041962529e+01 1.86 9.368726177e+00 9.368726177e+00 1.88 8.390583174e+00 8.390583174e+00 1.90 7.484882792e+00 7.484882792e+00 1.92 6.632075888e+00 6.632075888e+00 1.94 5.829252347e+00 5.829252347e+00 1.96 5.075818376e+00 5.075818376e+00 1.98 4.368636902e+00 4.368636902e+00 2.00 3.706262734e+00 3.706262734e+00 2.02 3.087038890e+00 3.087038890e+00 2.04 2.508946046e+00 2.508946046e+00 2.06 1.970024223e+00 1.970024223e+00 2.08 1.468358529e+00 1.468358529e+00 2.10 1.001953249e+00 1.001953249e+00 2.12 5.692160573e-01 5.692160573e-01 2.14 1.684166193e-01 1.684166193e-01 2.16 -2.021364260e-01 -2.021364260e-01 2.18 -5.437901251e-01 -5.437901251e-01 2.20 -8.583890347e-01 -8.583890347e-01 2.22 -1.147551709e+00 -1.147551709e+00 2.24 -1.412602003e+00 -1.412602003e+00 2.26 -1.654866619e+00 -1.654866619e+00 2.28 -1.875666480e+00 -1.875666480e+00 2.30 -2.076094757e+00 -2.076094757e+00 2.32 -2.256924392e+00 -2.256924392e+00 2.34 -2.419826035e+00 -2.419826035e+00 2.36 -2.566069404e+00 -2.566069404e+00 2.38 -2.696701021e+00 -2.696701021e+00 2.40 -2.812702495e+00 -2.812702495e+00 2.42 -2.915096812e+00 -2.915096812e+00 2.44 -3.004519707e+00 -3.004519707e+00 2.46 -3.081985209e+00 -3.081985209e+00 2.48 -3.148350338e+00 -3.148350338e+00 2.50 -3.204498366e+00 -3.204498366e+00 2.52 -3.251276116e+00 -3.251276116e+00 2.54 -3.288801801e+00 -3.288801801e+00 2.56 -3.317937740e+00 -3.317937740e+00 2.58 -3.339271484e+00 -3.339271484e+00 2.60 -3.354019348e+00 -3.354019348e+00 2.62 -3.362187294e+00 -3.362187294e+00 2.64 -3.364106501e+00 -3.364106501e+00 2.66 -3.360310030e+00 -3.360310030e+00 2.68 -3.351254229e+00 -3.351254229e+00 2.70 -3.337368442e+00 -3.337368442e+00 2.72 -3.319056317e+00 -3.319056317e+00 2.74 -3.296697090e+00 -3.296697090e+00 2.76 -3.270646830e+00 -3.270646830e+00 2.78 -3.241256245e+00 -3.241256245e+00 2.80 -3.208880875e+00 -3.208880875e+00 2.82 -3.173247082e+00 -3.173247082e+00 2.84 -3.135116616e+00 -3.135116616e+00 2.86 -3.094245930e+00 -3.094245930e+00 2.88 -3.051118293e+00 -3.051118293e+00 2.90 -3.006320458e+00 -3.006320458e+00 2.92 -2.960205462e+00 -2.960205462e+00 2.94 -2.912794882e+00 -2.912794882e+00 2.96 -2.864546624e+00 -2.864546624e+00 2.98 -2.815322726e+00 -2.815322726e+00 3.00 -2.765279319e+00 -2.765279319e+00 3.02 -2.714566982e+00 -2.714566982e+00 3.04 -2.663458379e+00 -2.663458379e+00 3.06 -2.612036989e+00 -2.612036989e+00 3.08 -2.560278621e+00 -2.560278621e+00 3.10 -2.508326702e+00 -2.508326702e+00 3.12 -2.456276563e+00 -2.456276563e+00 3.14 -2.404219006e+00 -2.404219006e+00 3.16 -2.352237552e+00 -2.352237552e+00 3.18 -2.300408983e+00 -2.300408983e+00 3.20 -2.248803732e+00 -2.248803732e+00 3.22 -2.197486269e+00 -2.197486269e+00 3.24 -2.146515505e+00 -2.146515505e+00 3.26 -2.095945293e+00 -2.095945293e+00 3.28 -2.045824344e+00 -2.045824344e+00 3.30 -1.996196674e+00 -1.996196674e+00 3.32 -1.947102516e+00 -1.947102516e+00 3.34 -1.898575389e+00 -1.898575389e+00 3.36 -1.850659623e+00 -1.850659623e+00 3.38 -1.803362507e+00 -1.803362507e+00 3.40 -1.756683546e+00 -1.756683546e+00 3.42 -1.710744115e+00 -1.710744115e+00 3.44 -1.665320333e+00 -1.665320333e+00 3.46 -1.620416484e+00 -1.620416484e+00 3.48 -1.576193501e+00 -1.576193501e+00 3.50 -1.532741120e+00 -1.532741120e+00 3.52 -1.490054502e+00 -1.490054502e+00 3.54 -1.448130779e+00 -1.448130779e+00 3.56 -1.406979959e+00 -1.406979959e+00 3.58 -1.366608155e+00 -1.366608155e+00 3.60 -1.327010042e+00 -1.327010042e+00 3.62 -1.288192860e+00 -1.288192860e+00 3.64 -1.250165217e+00 -1.250165217e+00 3.66 -1.212912341e+00 -1.212912341e+00 3.68 -1.176426572e+00 -1.176426572e+00 3.70 -1.140707524e+00 -1.140707524e+00 3.72 -1.105752090e+00 -1.105752090e+00 3.74 -1.071530933e+00 -1.071530933e+00 3.76 -1.038042017e+00 -1.038042017e+00 3.78 -1.005292766e+00 -1.005292766e+00 3.80 -9.732807881e-01 -9.732807881e-01 3.82 -9.420174956e-01 -9.420174956e-01 3.84 -9.113331339e-01 -9.113331339e-01 3.86 -8.811865220e-01 -8.811865220e-01 3.88 -8.516960662e-01 -8.516960662e-01 3.90 -8.229120928e-01 -8.229120928e-01 3.92 -7.949673694e-01 -7.949673694e-01 3.94 -7.679909332e-01 -7.679909332e-01 3.96 -7.420728819e-01 -7.420728819e-01 3.98 -7.174227671e-01 -7.174227671e-01 4.00 -6.940124663e-01 -6.940124663e-01 4.02 -6.715431136e-01 -6.715431136e-01 4.04 -6.497387622e-01 -6.497387622e-01 4.06 -6.282210955e-01 -6.282210955e-01 4.08 -6.067103367e-01 -6.067103367e-01 4.10 -5.850215399e-01 -5.850215399e-01 4.12 -5.630438585e-01 -5.630438585e-01 4.14 -5.407249818e-01 -5.407249818e-01 4.16 -5.181009477e-01 -5.181009477e-01 4.18 -4.954792264e-01 -4.954792264e-01 4.20 -4.725467613e-01 -4.725467613e-01 4.22 -4.493135165e-01 -4.493135165e-01 4.24 -4.259292524e-01 -4.259292524e-01 4.26 -4.025881771e-01 -4.025881771e-01 4.28 -3.794886190e-01 -3.794886190e-01 4.30 -3.575883996e-01 -3.575883996e-01 4.32 -3.366086153e-01 -3.366086153e-01 4.34 -3.162999329e-01 -3.162999329e-01 4.36 -2.967309486e-01 -2.967309486e-01 4.38 -2.779420667e-01 -2.779420667e-01 4.40 -2.599569174e-01 -2.599569174e-01 4.42 -2.427857021e-01 -2.427857021e-01 4.44 -2.264279537e-01 -2.264279537e-01 4.46 -2.108748270e-01 -2.108748270e-01 4.48 -1.961109984e-01 -1.961109984e-01 4.50 -1.821162189e-01 -1.821162189e-01 4.52 -1.688665927e-01 -1.688665927e-01 4.54 -1.563356195e-01 -1.563356195e-01 4.56 -1.444950475e-01 -1.444950475e-01 4.58 -1.333155542e-01 -1.333155542e-01 4.60 -1.227672926e-01 -1.227672926e-01 4.62 -1.128203270e-01 -1.128203270e-01 4.64 -1.034449753e-01 -1.034449753e-01 4.66 -9.461207337e-02 -9.461207337e-02 4.68 -8.629317443e-02 -8.629317443e-02 4.70 -7.846069961e-02 -7.846069961e-02 4.72 -7.108804302e-02 -7.108804302e-02 4.74 -6.414964443e-02 -6.414964443e-02 4.76 -5.762103613e-02 -5.762103613e-02 4.78 -5.148281009e-02 -5.148281009e-02 4.80 -4.571040263e-02 -4.571040263e-02 4.82 -4.140087826e-02 -4.140087826e-02 4.84 -3.742078509e-02 -3.742078509e-02 4.86 -3.366774821e-02 -3.366774821e-02 4.88 -3.012909431e-02 -3.012909431e-02 4.90 -2.679274986e-02 -2.679274986e-02 4.92 -2.364687352e-02 -2.364687352e-02 4.94 -2.063109928e-02 -2.063109928e-02 4.96 -1.850246299e-02 -1.850246299e-02 4.98 -1.719576838e-02 -1.719576838e-02 5.00 -1.592332599e-02 -1.592332599e-02 5.02 -1.472893196e-02 -1.472893196e-02 5.04 -1.360821400e-02 -1.360821400e-02 5.06 -1.255670394e-02 -1.255670394e-02 5.08 -1.157019865e-02 -1.157019865e-02 5.10 -1.064474514e-02 -1.064474514e-02 5.12 -9.776626493e-03 -9.776626493e-03 5.14 -8.962348272e-03 -8.962348272e-03 5.16 -8.198625566e-03 -8.198625566e-03 5.18 -7.482370794e-03 -7.482370794e-03 5.20 -6.810682164e-03 -6.810682164e-03 5.22 -6.180832790e-03 -6.180832790e-03 5.24 -5.590260255e-03 -5.590260255e-03 5.26 -5.036556830e-03 -5.036556830e-03 5.28 -4.517460272e-03 -4.517460272e-03 5.30 -4.030845192e-03 -4.030845192e-03 5.32 -3.574714877e-03 -3.574714877e-03 5.34 -3.147193531e-03 -3.147193531e-03 5.36 -2.746519029e-03 -2.746519029e-03 5.38 -2.371036109e-03 -2.371036109e-03 5.40 -2.019190009e-03 -2.019190009e-03 5.42 -1.689520389e-03 -1.689520389e-03 5.44 -1.380655641e-03 -1.380655641e-03 5.46 -1.091307559e-03 -1.091307559e-03 5.48 -8.202663424e-04 -8.202663424e-04 5.50 -5.663959071e-04 -5.663959071e-04 5.52 -3.286294096e-04 -3.286294096e-04 5.54 -1.045407689e-04 -1.045407689e-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 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