# 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 = AuNiPd2 # 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 7.839899567e+02 7.839899567e+02 1.00 7.154014440e+02 7.154014440e+02 1.02 6.535387553e+02 6.535387553e+02 1.04 5.976802540e+02 5.976802540e+02 1.06 5.471852322e+02 5.471852322e+02 1.08 5.014841959e+02 5.014841959e+02 1.10 4.600753012e+02 4.600753012e+02 1.12 4.225076694e+02 4.225076694e+02 1.14 3.883822037e+02 3.883822037e+02 1.16 3.573472170e+02 3.573472170e+02 1.18 3.290863493e+02 3.290863493e+02 1.20 3.033177435e+02 3.033177435e+02 1.22 2.797896218e+02 2.797896218e+02 1.24 2.582812009e+02 2.582812009e+02 1.26 2.385936674e+02 2.385936674e+02 1.28 2.205497072e+02 2.205497072e+02 1.30 2.039894705e+02 2.039894705e+02 1.32 1.887720365e+02 1.887720365e+02 1.34 1.747709476e+02 1.747709476e+02 1.36 1.618743424e+02 1.618743424e+02 1.38 1.499814675e+02 1.499814675e+02 1.40 1.390020419e+02 1.390020419e+02 1.42 1.288540042e+02 1.288540042e+02 1.44 1.194649876e+02 1.194649876e+02 1.46 1.107693116e+02 1.107693116e+02 1.48 1.027078536e+02 1.027078536e+02 1.50 9.522794568e+01 9.522794568e+01 1.52 8.828207096e+01 8.828207096e+01 1.54 8.182693136e+01 8.182693136e+01 1.56 7.582280290e+01 7.582280290e+01 1.58 7.023416439e+01 7.023416439e+01 1.60 6.502963319e+01 6.502963319e+01 1.62 6.017965792e+01 6.017965792e+01 1.64 5.565777913e+01 5.565777913e+01 1.66 5.143978115e+01 5.143978115e+01 1.68 4.750346506e+01 4.750346506e+01 1.70 4.382833493e+01 4.382833493e+01 1.72 4.039505187e+01 4.039505187e+01 1.74 3.718750790e+01 3.718750790e+01 1.76 3.418994311e+01 3.418994311e+01 1.78 3.138734576e+01 3.138734576e+01 1.80 2.876663500e+01 2.876663500e+01 1.82 2.629894993e+01 2.629894993e+01 1.84 2.399692386e+01 2.399692386e+01 1.86 2.183417314e+01 2.183417314e+01 1.88 1.980341623e+01 1.980341623e+01 1.90 1.789848271e+01 1.789848271e+01 1.92 1.611377914e+01 1.611377914e+01 1.94 1.444368868e+01 1.444368868e+01 1.96 1.288273799e+01 1.288273799e+01 1.98 1.142559671e+01 1.142559671e+01 2.00 1.006706174e+01 1.006706174e+01 2.02 8.802100769e+00 8.802100769e+00 2.04 7.625839550e+00 7.625839550e+00 2.06 6.533493932e+00 6.533493932e+00 2.08 5.520812456e+00 5.520812456e+00 2.10 4.583267955e+00 4.583267955e+00 2.12 3.716192795e+00 3.716192795e+00 2.14 2.915753713e+00 2.915753713e+00 2.16 2.178139933e+00 2.178139933e+00 2.18 1.499699596e+00 1.499699596e+00 2.20 8.769957224e-01 8.769957224e-01 2.22 3.066061933e-01 3.066061933e-01 2.24 -2.146456398e-01 -2.146456398e-01 2.26 -6.897996223e-01 -6.897996223e-01 2.28 -1.121769629e+00 -1.121769629e+00 2.30 -1.513356800e+00 -1.513356800e+00 2.32 -1.867153219e+00 -1.867153219e+00 2.34 -2.185428691e+00 -2.185428691e+00 2.36 -2.470817009e+00 -2.470817009e+00 2.38 -2.725253719e+00 -2.725253719e+00 2.40 -2.950865796e+00 -2.950865796e+00 2.42 -3.150102417e+00 -3.150102417e+00 2.44 -3.324760196e+00 -3.324760196e+00 2.46 -3.476629689e+00 -3.476629689e+00 2.48 -3.607404909e+00 -3.607404909e+00 2.50 -3.718681976e+00 -3.718681976e+00 2.52 -3.812301361e+00 -3.812301361e+00 2.54 -3.889515537e+00 -3.889515537e+00 2.56 -3.951474555e+00 -3.951474555e+00 2.58 -3.999384400e+00 -3.999384400e+00 2.60 -4.034363874e+00 -4.034363874e+00 2.62 -4.057575952e+00 -4.057575952e+00 2.64 -4.069907342e+00 -4.069907342e+00 2.66 -4.072210738e+00 -4.072210738e+00 2.68 -4.065776984e+00 -4.065776984e+00 2.70 -4.051263749e+00 -4.051263749e+00 2.72 -4.029443153e+00 -4.029443153e+00 2.74 -4.000684461e+00 -4.000684461e+00 2.76 -3.965881198e+00 -3.965881198e+00 2.78 -3.926378320e+00 -3.926378320e+00 2.80 -3.882523701e+00 -3.882523701e+00 2.82 -3.834444110e+00 -3.834444110e+00 2.84 -3.782628738e+00 -3.782628738e+00 2.86 -3.727531157e+00 -3.727531157e+00 2.88 -3.669570442e+00 -3.669570442e+00 2.90 -3.609155995e+00 -3.609155995e+00 2.92 -3.546869471e+00 -3.546869471e+00 2.94 -3.482779668e+00 -3.482779668e+00 2.96 -3.417480516e+00 -3.417480516e+00 2.98 -3.350854117e+00 -3.350854117e+00 3.00 -3.283102975e+00 -3.283102975e+00 3.02 -3.213674794e+00 -3.213674794e+00 3.04 -3.143101330e+00 -3.143101330e+00 3.06 -3.072288385e+00 -3.072288385e+00 3.08 -3.001403367e+00 -3.001403367e+00 3.10 -2.930604045e+00 -2.930604045e+00 3.12 -2.860032417e+00 -2.860032417e+00 3.14 -2.789816511e+00 -2.789816511e+00 3.16 -2.720071429e+00 -2.720071429e+00 3.18 -2.650900309e+00 -2.650900309e+00 3.20 -2.582395265e+00 -2.582395265e+00 3.22 -2.514638266e+00 -2.514638266e+00 3.24 -2.447690446e+00 -2.447690446e+00 3.26 -2.382215972e+00 -2.382215972e+00 3.28 -2.317849746e+00 -2.317849746e+00 3.30 -2.254432954e+00 -2.254432954e+00 3.32 -2.192008780e+00 -2.192008780e+00 3.34 -2.130615300e+00 -2.130615300e+00 3.36 -2.070284611e+00 -2.070284611e+00 3.38 -2.011043220e+00 -2.011043220e+00 3.40 -1.952922639e+00 -1.952922639e+00 3.42 -1.896125441e+00 -1.896125441e+00 3.44 -1.840465644e+00 -1.840465644e+00 3.46 -1.785848237e+00 -1.785848237e+00 3.48 -1.732268048e+00 -1.732268048e+00 3.50 -1.679822187e+00 -1.679822187e+00 3.52 -1.628562970e+00 -1.628562970e+00 3.54 -1.578475598e+00 -1.578475598e+00 3.56 -1.529536238e+00 -1.529536238e+00 3.58 -1.481738889e+00 -1.481738889e+00 3.60 -1.435084155e+00 -1.435084155e+00 3.62 -1.389497675e+00 -1.389497675e+00 3.64 -1.344897586e+00 -1.344897586e+00 3.66 -1.301245598e+00 -1.301245598e+00 3.68 -1.258601721e+00 -1.258601721e+00 3.70 -1.217021457e+00 -1.217021457e+00 3.72 -1.176535560e+00 -1.176535560e+00 3.74 -1.137123855e+00 -1.137123855e+00 3.76 -1.098766956e+00 -1.098766956e+00 3.78 -1.061445606e+00 -1.061445606e+00 3.80 -1.025141927e+00 -1.025141927e+00 3.82 -9.898260002e-01 -9.898260002e-01 3.84 -9.554874116e-01 -9.554874116e-01 3.86 -9.221039052e-01 -9.221039052e-01 3.88 -8.896662109e-01 -8.896662109e-01 3.90 -8.581644036e-01 -8.581644036e-01 3.92 -8.275015241e-01 -8.275015241e-01 3.94 -7.976527102e-01 -7.976527102e-01 3.96 -7.686359117e-01 -7.686359117e-01 3.98 -7.404301639e-01 -7.404301639e-01 4.00 -7.130931038e-01 -7.130931038e-01 4.02 -6.866691660e-01 -6.866691660e-01 4.04 -6.611900930e-01 -6.611900930e-01 4.06 -6.367200313e-01 -6.367200313e-01 4.08 -6.132716191e-01 -6.132716191e-01 4.10 -5.907291559e-01 -5.907291559e-01 4.12 -5.690035019e-01 -5.690035019e-01 4.14 -5.479748307e-01 -5.479748307e-01 4.16 -5.275185580e-01 -5.275185580e-01 4.18 -5.078367212e-01 -5.078367212e-01 4.20 -4.884452712e-01 -4.884452712e-01 4.22 -4.692917927e-01 -4.692917927e-01 4.24 -4.503379354e-01 -4.503379354e-01 4.26 -4.315631441e-01 -4.315631441e-01 4.28 -4.129423055e-01 -4.129423055e-01 4.30 -3.944689208e-01 -3.944689208e-01 4.32 -3.761894001e-01 -3.761894001e-01 4.34 -3.581245063e-01 -3.581245063e-01 4.36 -3.403150043e-01 -3.403150043e-01 4.38 -3.227883974e-01 -3.227883974e-01 4.40 -3.056222393e-01 -3.056222393e-01 4.42 -2.888913139e-01 -2.888913139e-01 4.44 -2.726521006e-01 -2.726521006e-01 4.46 -2.569458300e-01 -2.569458300e-01 4.48 -2.418010871e-01 -2.418010871e-01 4.50 -2.272360224e-01 -2.272360224e-01 4.52 -2.132602264e-01 -2.132602264e-01 4.54 -1.998763178e-01 -1.998763178e-01 4.56 -1.870811460e-01 -1.870811460e-01 4.58 -1.748553237e-01 -1.748553237e-01 4.60 -1.635258662e-01 -1.635258662e-01 4.62 -1.530453110e-01 -1.530453110e-01 4.64 -1.430574685e-01 -1.430574685e-01 4.66 -1.335583353e-01 -1.335583353e-01 4.68 -1.245312098e-01 -1.245312098e-01 4.70 -1.159586387e-01 -1.159586387e-01 4.72 -1.078227528e-01 -1.078227528e-01 4.74 -1.001055032e-01 -1.001055032e-01 4.76 -9.278885297e-02 -9.278885297e-02 4.78 -8.585718213e-02 -8.585718213e-02 4.80 -7.928980216e-02 -7.928980216e-02 4.82 -7.376690142e-02 -7.376690142e-02 4.84 -6.860034152e-02 -6.860034152e-02 4.86 -6.370316688e-02 -6.370316688e-02 4.88 -5.906247191e-02 -5.906247191e-02 4.90 -5.466575524e-02 -5.466575524e-02 4.92 -5.050097847e-02 -5.050097847e-02 4.94 -4.655657413e-02 -4.655657413e-02 4.96 -4.282144775e-02 -4.282144775e-02 4.98 -3.928497583e-02 -3.928497583e-02 5.00 -3.593700032e-02 -3.593700032e-02 5.02 -3.276782082e-02 -3.276782082e-02 5.04 -2.976818441e-02 -2.976818441e-02 5.06 -2.692927295e-02 -2.692927295e-02 5.08 -2.424269004e-02 -2.424269004e-02 5.10 -2.170044686e-02 -2.170044686e-02 5.12 -1.929494761e-02 -1.929494761e-02 5.14 -1.701897434e-02 -1.701897434e-02 5.16 -1.486567153e-02 -1.486567153e-02 5.18 -1.282853083e-02 -1.282853083e-02 5.20 -1.090137606e-02 -1.090137606e-02 5.22 -9.078348323e-03 -9.078348323e-03 5.24 -7.353891236e-03 -7.353891236e-03 5.26 -5.722705325e-03 -5.722705325e-03 5.28 -4.181839904e-03 -4.181839904e-03 5.30 -2.770833959e-03 -2.770833959e-03 5.32 -2.425766057e-03 -2.425766057e-03 5.34 -2.133039090e-03 -2.133039090e-03 5.36 -1.865189218e-03 -1.865189218e-03 5.38 -1.613316543e-03 -1.613316543e-03 5.40 -1.376500431e-03 -1.376500431e-03 5.42 -1.153871230e-03 -1.153871230e-03 5.44 -9.446075537e-04 -9.446075537e-04 5.46 -7.479337273e-04 -7.479337273e-04 5.48 -5.631173669e-04 -5.631173669e-04 5.50 -3.894670819e-04 -3.894670819e-04 5.52 -2.263302600e-04 -2.263302600e-04 5.54 -7.210724864e-05 -7.210724864e-05 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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