# 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 = AgAu2Pd # 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 9.013107683e+02 9.013107683e+02 1.00 8.262181615e+02 8.262181615e+02 1.02 7.580865044e+02 7.580865044e+02 1.04 6.962065476e+02 6.962065476e+02 1.06 6.399465456e+02 6.399465456e+02 1.08 5.887439378e+02 5.887439378e+02 1.10 5.420986374e+02 5.420986374e+02 1.12 4.995623249e+02 4.995623249e+02 1.14 4.607346155e+02 4.607346155e+02 1.16 4.252586939e+02 4.252586939e+02 1.18 3.928132588e+02 3.928132588e+02 1.20 3.631099020e+02 3.631099020e+02 1.22 3.358901258e+02 3.358901258e+02 1.24 3.109206501e+02 3.109206501e+02 1.26 2.879919420e+02 2.879919420e+02 1.28 2.669156331e+02 2.669156331e+02 1.30 2.475228141e+02 2.475228141e+02 1.32 2.296612409e+02 2.296612409e+02 1.34 2.131933016e+02 2.131933016e+02 1.36 1.979943851e+02 1.979943851e+02 1.38 1.839530425e+02 1.839530425e+02 1.40 1.709678709e+02 1.709678709e+02 1.42 1.589483111e+02 1.589483111e+02 1.44 1.478118797e+02 1.478118797e+02 1.46 1.374839375e+02 1.374839375e+02 1.48 1.278966916e+02 1.278966916e+02 1.50 1.189893462e+02 1.189893462e+02 1.52 1.107066543e+02 1.107066543e+02 1.54 1.029977961e+02 1.029977961e+02 1.56 9.581752669e+01 9.581752669e+01 1.58 8.912482686e+01 8.912482686e+01 1.60 8.288185062e+01 8.288185062e+01 1.62 7.705428701e+01 7.705428701e+01 1.64 7.161029812e+01 7.161029812e+01 1.66 6.652186690e+01 6.652186690e+01 1.68 6.176312900e+01 6.176312900e+01 1.70 5.731025483e+01 5.731025483e+01 1.72 5.314135511e+01 5.314135511e+01 1.74 4.923648243e+01 4.923648243e+01 1.76 4.557727312e+01 4.557727312e+01 1.78 4.214694052e+01 4.214694052e+01 1.80 3.892984014e+01 3.892984014e+01 1.82 3.591160852e+01 3.591160852e+01 1.84 3.307904734e+01 3.307904734e+01 1.86 3.042156236e+01 3.042156236e+01 1.88 2.791018360e+01 2.791018360e+01 1.90 2.556630186e+01 2.556630186e+01 1.92 2.337218401e+01 2.337218401e+01 1.94 2.131651803e+01 2.131651803e+01 1.96 1.939136386e+01 1.939136386e+01 1.98 1.758915214e+01 1.758915214e+01 2.00 1.590299775e+01 1.590299775e+01 2.02 1.432636792e+01 1.432636792e+01 2.04 1.285310976e+01 1.285310976e+01 2.06 1.147724492e+01 1.147724492e+01 2.08 1.019322842e+01 1.019322842e+01 2.10 8.996243412e+00 8.996243412e+00 2.12 7.881431770e+00 7.881431770e+00 2.14 6.844144549e+00 6.844144549e+00 2.16 5.879963814e+00 5.879963814e+00 2.18 4.984749173e+00 4.984749173e+00 2.20 4.154650305e+00 4.154650305e+00 2.22 3.385745300e+00 3.385745300e+00 2.24 2.674690399e+00 2.674690399e+00 2.26 2.018239231e+00 2.018239231e+00 2.28 1.413223266e+00 1.413223266e+00 2.30 8.566140422e-01 8.566140422e-01 2.32 3.455113147e-01 3.455113147e-01 2.34 -1.227577701e-01 -1.227577701e-01 2.36 -5.506995999e-01 -5.506995999e-01 2.38 -9.408705699e-01 -9.408705699e-01 2.40 -1.295621649e+00 -1.295621649e+00 2.42 -1.616966842e+00 -1.616966842e+00 2.44 -1.906921733e+00 -1.906921733e+00 2.46 -2.167806943e+00 -2.167806943e+00 2.48 -2.401542207e+00 -2.401542207e+00 2.50 -2.609949590e+00 -2.609949590e+00 2.52 -2.794757222e+00 -2.794757222e+00 2.54 -2.957602838e+00 -2.957602838e+00 2.56 -3.100037144e+00 -3.100037144e+00 2.58 -3.223527072e+00 -3.223527072e+00 2.60 -3.329458917e+00 -3.329458917e+00 2.62 -3.419141405e+00 -3.419141405e+00 2.64 -3.493808724e+00 -3.493808724e+00 2.66 -3.554674899e+00 -3.554674899e+00 2.68 -3.602754658e+00 -3.602754658e+00 2.70 -3.638690282e+00 -3.638690282e+00 2.72 -3.663839113e+00 -3.663839113e+00 2.74 -3.679137376e+00 -3.679137376e+00 2.76 -3.685430676e+00 -3.685430676e+00 2.78 -3.683875612e+00 -3.683875612e+00 2.80 -3.675191299e+00 -3.675191299e+00 2.82 -3.659722679e+00 -3.659722679e+00 2.84 -3.638111199e+00 -3.638111199e+00 2.86 -3.610955047e+00 -3.610955047e+00 2.88 -3.578810905e+00 -3.578810905e+00 2.90 -3.542244315e+00 -3.542244315e+00 2.92 -3.502214529e+00 -3.502214529e+00 2.94 -3.458599400e+00 -3.458599400e+00 2.96 -3.411814870e+00 -3.411814870e+00 2.98 -3.362245920e+00 -3.362245920e+00 3.00 -3.310248453e+00 -3.310248453e+00 3.02 -3.256151114e+00 -3.256151114e+00 3.04 -3.200247174e+00 -3.200247174e+00 3.06 -3.142900709e+00 -3.142900709e+00 3.08 -3.083187199e+00 -3.083187199e+00 3.10 -3.022166314e+00 -3.022166314e+00 3.12 -2.960421390e+00 -2.960421390e+00 3.14 -2.898122563e+00 -2.898122563e+00 3.16 -2.835409003e+00 -2.835409003e+00 3.18 -2.772464811e+00 -2.772464811e+00 3.20 -2.709476248e+00 -2.709476248e+00 3.22 -2.646570250e+00 -2.646570250e+00 3.24 -2.583862325e+00 -2.583862325e+00 3.26 -2.521750680e+00 -2.521750680e+00 3.28 -2.460129842e+00 -2.460129842e+00 3.30 -2.398987791e+00 -2.398987791e+00 3.32 -2.338404067e+00 -2.338404067e+00 3.34 -2.278450310e+00 -2.278450310e+00 3.36 -2.219190121e+00 -2.219190121e+00 3.38 -2.160679696e+00 -2.160679696e+00 3.40 -2.102997454e+00 -2.102997454e+00 3.42 -2.046545797e+00 -2.046545797e+00 3.44 -1.990953687e+00 -1.990953687e+00 3.46 -1.936254819e+00 -1.936254819e+00 3.48 -1.882478364e+00 -1.882478364e+00 3.50 -1.829648420e+00 -1.829648420e+00 3.52 -1.777785875e+00 -1.777785875e+00 3.54 -1.726906060e+00 -1.726906060e+00 3.56 -1.677023135e+00 -1.677023135e+00 3.58 -1.628145101e+00 -1.628145101e+00 3.60 -1.580283637e+00 -1.580283637e+00 3.62 -1.533433545e+00 -1.533433545e+00 3.64 -1.487600757e+00 -1.487600757e+00 3.66 -1.442804143e+00 -1.442804143e+00 3.68 -1.399031878e+00 -1.399031878e+00 3.70 -1.356206360e+00 -1.356206360e+00 3.72 -1.314267598e+00 -1.314267598e+00 3.74 -1.273203445e+00 -1.273203445e+00 3.76 -1.233049465e+00 -1.233049465e+00 3.78 -1.193858155e+00 -1.193858155e+00 3.80 -1.155659937e+00 -1.155659937e+00 3.82 -1.118443526e+00 -1.118443526e+00 3.84 -1.082166790e+00 -1.082166790e+00 3.86 -1.046819943e+00 -1.046819943e+00 3.88 -1.012401851e+00 -1.012401851e+00 3.90 -9.789010899e-01 -9.789010899e-01 3.92 -9.463070789e-01 -9.463070789e-01 3.94 -9.145014612e-01 -9.145014612e-01 3.96 -8.834709229e-01 -8.834709229e-01 3.98 -8.532905723e-01 -8.532905723e-01 4.00 -8.239686685e-01 -8.239686685e-01 4.02 -7.954413679e-01 -7.954413679e-01 4.04 -7.677985114e-01 -7.677985114e-01 4.06 -7.411222378e-01 -7.411222378e-01 4.08 -7.155307653e-01 -7.155307653e-01 4.10 -6.910910492e-01 -6.910910492e-01 4.12 -6.676238022e-01 -6.676238022e-01 4.14 -6.449966513e-01 -6.449966513e-01 4.16 -6.231977390e-01 -6.231977390e-01 4.18 -6.020167631e-01 -6.020167631e-01 4.20 -5.812182507e-01 -5.812182507e-01 4.22 -5.606351903e-01 -5.606351903e-01 4.24 -5.401551660e-01 -5.401551660e-01 4.26 -5.197088231e-01 -5.197088231e-01 4.28 -4.992603146e-01 -4.992603146e-01 4.30 -4.787994270e-01 -4.787994270e-01 4.32 -4.583118568e-01 -4.583118568e-01 4.34 -4.377885266e-01 -4.377885266e-01 4.36 -4.173339694e-01 -4.173339694e-01 4.38 -3.970374848e-01 -3.970374848e-01 4.40 -3.769339420e-01 -3.769339420e-01 4.42 -3.571493821e-01 -3.571493821e-01 4.44 -3.378059335e-01 -3.378059335e-01 4.46 -3.189963479e-01 -3.189963479e-01 4.48 -3.007890953e-01 -3.007890953e-01 4.50 -2.832326646e-01 -2.832326646e-01 4.52 -2.663591898e-01 -2.663591898e-01 4.54 -2.501875005e-01 -2.501875005e-01 4.56 -2.347255593e-01 -2.347255593e-01 4.58 -2.199624420e-01 -2.199624420e-01 4.60 -2.061889850e-01 -2.061889850e-01 4.62 -1.933679620e-01 -1.933679620e-01 4.64 -1.811816765e-01 -1.811816765e-01 4.66 -1.696201646e-01 -1.696201646e-01 4.68 -1.586614740e-01 -1.586614740e-01 4.70 -1.482824647e-01 -1.482824647e-01 4.72 -1.384593137e-01 -1.384593137e-01 4.74 -1.291678887e-01 -1.291678887e-01 4.76 -1.203840467e-01 -1.203840467e-01 4.78 -1.120838706e-01 -1.120838706e-01 4.80 -1.042323504e-01 -1.042323504e-01 4.82 -9.715866799e-02 -9.715866799e-02 4.84 -9.061142485e-02 -9.061142485e-02 4.86 -8.442632346e-02 -8.442632346e-02 4.88 -7.858472132e-02 -7.858472132e-02 4.90 -7.306869235e-02 -7.306869235e-02 4.92 -6.786104488e-02 -6.786104488e-02 4.94 -6.294532931e-02 -6.294532931e-02 4.96 -5.830583636e-02 -5.830583636e-02 4.98 -5.392758886e-02 -5.392758886e-02 5.00 -4.979632836e-02 -4.979632836e-02 5.02 -4.589849805e-02 -4.589849805e-02 5.04 -4.222122250e-02 -4.222122250e-02 5.06 -3.875228441e-02 -3.875228441e-02 5.08 -3.548010050e-02 -3.548010050e-02 5.10 -3.239369646e-02 -3.239369646e-02 5.12 -2.948268151e-02 -2.948268151e-02 5.14 -2.673722247e-02 -2.673722247e-02 5.16 -2.414801790e-02 -2.414801790e-02 5.18 -2.170627281e-02 -2.170627281e-02 5.20 -1.940367401e-02 -1.940367401e-02 5.22 -1.723236612e-02 -1.723236612e-02 5.24 -1.518492793e-02 -1.518492793e-02 5.26 -1.325433444e-02 -1.325433444e-02 5.28 -1.143497655e-02 -1.143497655e-02 5.30 -9.742515000e-03 -9.742515000e-03 5.32 -8.637076363e-03 -8.637076363e-03 5.34 -7.613827144e-03 -7.613827144e-03 5.36 -6.655839333e-03 -6.655839333e-03 5.38 -5.755568733e-03 -5.755568733e-03 5.40 -4.909602176e-03 -4.909602176e-03 5.42 -4.114724226e-03 -4.114724226e-03 5.44 -3.367905959e-03 -3.367905959e-03 5.46 -2.666294399e-03 -2.666294399e-03 5.48 -2.007202560e-03 -2.007202560e-03 5.50 -1.388100038e-03 -1.388100038e-03 5.52 -8.066039911e-04 -8.066039911e-04 5.54 -2.569641015e-04 -2.569641015e-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