# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au # implementation = EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000 # composition = AgAu2Cu # 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 nan nan 1.30 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan nan 1.40 nan nan 1.42 nan nan 1.44 nan nan 1.46 nan nan 1.48 nan nan 1.50 nan nan 1.52 nan nan 1.54 nan nan 1.56 nan nan 1.58 nan nan 1.60 nan nan 1.62 nan nan 1.64 nan nan 1.66 nan nan 1.68 nan nan 1.70 nan nan 1.72 nan nan 1.74 nan nan 1.76 nan nan 1.78 nan nan 1.80 nan nan 1.82 nan nan 1.84 nan nan 1.86 nan nan 1.88 nan nan 1.90 nan nan 1.92 nan nan 1.94 nan nan 1.96 1.363775803e+01 1.363775803e+01 1.98 1.212789642e+01 1.212789642e+01 2.00 1.073461389e+01 1.073461389e+01 2.02 9.449417960e+00 9.449417960e+00 2.04 8.264449013e+00 8.264449013e+00 2.06 7.172448098e+00 7.172448098e+00 2.08 6.166705970e+00 6.166705970e+00 2.10 5.241005525e+00 5.241005525e+00 2.12 4.389570581e+00 4.389570581e+00 2.14 3.607025773e+00 3.607025773e+00 2.16 2.888367514e+00 2.888367514e+00 2.18 2.228933379e+00 2.228933379e+00 2.20 1.624395333e+00 1.624395333e+00 2.22 1.070739415e+00 1.070739415e+00 2.24 5.642591997e-01 5.642591997e-01 2.26 1.015457519e-01 1.015457519e-01 2.28 -3.205290296e-01 -3.205290296e-01 2.30 -7.048376638e-01 -7.048376638e-01 2.32 -1.054032249e+00 -1.054032249e+00 2.34 -1.370573521e+00 -1.370573521e+00 2.36 -1.656760377e+00 -1.656760377e+00 2.38 -1.914746400e+00 -1.914746400e+00 2.40 -2.146549508e+00 -2.146549508e+00 2.42 -2.354058626e+00 -2.354058626e+00 2.44 -2.539041543e+00 -2.539041543e+00 2.46 -2.703155645e+00 -2.703155645e+00 2.48 -2.847960827e+00 -2.847960827e+00 2.50 -2.974932758e+00 -2.974932758e+00 2.52 -3.085473445e+00 -3.085473445e+00 2.54 -3.180927264e+00 -3.180927264e+00 2.56 -3.262578445e+00 -3.262578445e+00 2.58 -3.331659816e+00 -3.331659816e+00 2.60 -3.389407545e+00 -3.389407545e+00 2.62 -3.437062526e+00 -3.437062526e+00 2.64 -3.475504750e+00 -3.475504750e+00 2.66 -3.505558797e+00 -3.505558797e+00 2.68 -3.528211660e+00 -3.528211660e+00 2.70 -3.543989574e+00 -3.543989574e+00 2.72 -3.553249027e+00 -3.553249027e+00 2.74 -3.556341023e+00 -3.556341023e+00 2.76 -3.553604329e+00 -3.553604329e+00 2.78 -3.545352182e+00 -3.545352182e+00 2.80 -3.531882888e+00 -3.531882888e+00 2.82 -3.513489086e+00 -3.513489086e+00 2.84 -3.490475284e+00 -3.490475284e+00 2.86 -3.463233958e+00 -3.463233958e+00 2.88 -3.432012097e+00 -3.432012097e+00 2.90 -3.396995911e+00 -3.396995911e+00 2.92 -3.358391426e+00 -3.358391426e+00 2.94 -3.316426107e+00 -3.316426107e+00 2.96 -3.271350612e+00 -3.271350612e+00 2.98 -3.223440204e+00 -3.223440204e+00 3.00 -3.172995044e+00 -3.172995044e+00 3.02 -3.120341061e+00 -3.120341061e+00 3.04 -3.065828313e+00 -3.065828313e+00 3.06 -3.009814721e+00 -3.009814721e+00 3.08 -2.952652754e+00 -2.952652754e+00 3.10 -2.894675520e+00 -2.894675520e+00 3.12 -2.836183464e+00 -2.836183464e+00 3.14 -2.777434182e+00 -2.777434182e+00 3.16 -2.718637057e+00 -2.718637057e+00 3.18 -2.659953186e+00 -2.659953186e+00 3.20 -2.601499801e+00 -2.601499801e+00 3.22 -2.543357655e+00 -2.543357655e+00 3.24 -2.485578054e+00 -2.485578054e+00 3.26 -2.428198333e+00 -2.428198333e+00 3.28 -2.371238502e+00 -2.371238502e+00 3.30 -2.314715203e+00 -2.314715203e+00 3.32 -2.258644317e+00 -2.258644317e+00 3.34 -2.203044209e+00 -2.203044209e+00 3.36 -2.147937702e+00 -2.147937702e+00 3.38 -2.093347391e+00 -2.093347391e+00 3.40 -2.039318863e+00 -2.039318863e+00 3.42 -1.985883039e+00 -1.985883039e+00 3.44 -1.933080959e+00 -1.933080959e+00 3.46 -1.880955191e+00 -1.880955191e+00 3.48 -1.829548121e+00 -1.829548121e+00 3.50 -1.778900297e+00 -1.778900297e+00 3.52 -1.729048974e+00 -1.729048974e+00 3.54 -1.680026937e+00 -1.680026937e+00 3.56 -1.631861667e+00 -1.631861667e+00 3.58 -1.584574850e+00 -1.584574850e+00 3.60 -1.538182239e+00 -1.538182239e+00 3.62 -1.492693835e+00 -1.492693835e+00 3.64 -1.448114369e+00 -1.448114369e+00 3.66 -1.404444052e+00 -1.404444052e+00 3.68 -1.361679544e+00 -1.361679544e+00 3.70 -1.319815100e+00 -1.319815100e+00 3.72 -1.278843807e+00 -1.278843807e+00 3.74 -1.238758821e+00 -1.238758821e+00 3.76 -1.199554476e+00 -1.199554476e+00 3.78 -1.161227113e+00 -1.161227113e+00 3.80 -1.123775498e+00 -1.123775498e+00 3.82 -1.087200725e+00 -1.087200725e+00 3.84 -1.051505554e+00 -1.051505554e+00 3.86 -1.016693262e+00 -1.016693262e+00 3.88 -9.827661394e-01 -9.827661394e-01 3.90 -9.497238731e-01 -9.497238731e-01 3.92 -9.175620690e-01 -9.175620690e-01 3.94 -8.862711329e-01 -8.862711329e-01 3.96 -8.558319457e-01 -8.558319457e-01 3.98 -8.262313501e-01 -8.262313501e-01 4.00 -7.974381365e-01 -7.974381365e-01 4.02 -7.694210814e-01 -7.694210814e-01 4.04 -7.421455064e-01 -7.421455064e-01 4.06 -7.155745320e-01 -7.155745320e-01 4.08 -6.896703756e-01 -6.896703756e-01 4.10 -6.643956359e-01 -6.643956359e-01 4.12 -6.397145339e-01 -6.397145339e-01 4.14 -6.155941015e-01 -6.155941015e-01 4.16 -5.920053073e-01 -5.920053073e-01 4.18 -5.689241032e-01 -5.689241032e-01 4.20 -5.463323540e-01 -5.463323540e-01 4.22 -5.242185927e-01 -5.242185927e-01 4.24 -5.025785285e-01 -5.025785285e-01 4.26 -4.814152263e-01 -4.814152263e-01 4.28 -4.607388887e-01 -4.607388887e-01 4.30 -4.405661978e-01 -4.405661978e-01 4.32 -4.209192144e-01 -4.209192144e-01 4.34 -4.018238846e-01 -4.018238846e-01 4.36 -3.833082490e-01 -3.833082490e-01 4.38 -3.654004844e-01 -3.654004844e-01 4.40 -3.481269251e-01 -3.481269251e-01 4.42 -3.315102055e-01 -3.315102055e-01 4.44 -3.155676431e-01 -3.155676431e-01 4.46 -3.003099571e-01 -3.003099571e-01 4.48 -2.857403798e-01 -2.857403798e-01 4.50 -2.718541932e-01 -2.718541932e-01 4.52 -2.586386938e-01 -2.586386938e-01 4.54 -2.460735619e-01 -2.460735619e-01 4.56 -2.341315864e-01 -2.341315864e-01 4.58 -2.227796778e-01 -2.227796778e-01 4.60 -2.119800817e-01 -2.119800817e-01 4.62 -2.016917046e-01 -2.016917046e-01 4.64 -1.918714651e-01 -1.918714651e-01 4.66 -1.824755990e-01 -1.824755990e-01 4.68 -1.734608666e-01 -1.734608666e-01 4.70 -1.647856319e-01 -1.647856319e-01 4.72 -1.564108022e-01 -1.564108022e-01 4.74 -1.483006317e-01 -1.483006317e-01 4.76 -1.404234003e-01 -1.404234003e-01 4.78 -1.327519797e-01 -1.327519797e-01 4.80 -1.252642949e-01 -1.252642949e-01 4.82 -1.179436794e-01 -1.179436794e-01 4.84 -1.107791153e-01 -1.107791153e-01 4.86 -1.037653354e-01 -1.037653354e-01 4.88 -9.690276037e-02 -9.690276037e-02 4.90 -9.019724050e-02 -9.019724050e-02 4.92 -8.365957707e-02 -8.365957707e-02 4.94 -7.730481056e-02 -7.730481056e-02 4.96 -7.115128268e-02 -7.115128268e-02 4.98 -6.521950388e-02 -6.521950388e-02 5.00 -5.953088326e-02 -5.953088326e-02 5.02 -5.410640268e-02 -5.410640268e-02 5.04 -4.896532742e-02 -4.896532742e-02 5.06 -4.412405047e-02 -4.412405047e-02 5.08 -3.959515599e-02 -3.959515599e-02 5.10 -3.538672229e-02 -3.538672229e-02 5.12 -3.150183863e-02 -3.150183863e-02 5.14 -2.793910666e-02 -2.793910666e-02 5.16 -2.469257159e-02 -2.469257159e-02 5.18 -2.175214795e-02 -2.175214795e-02 5.20 -1.910427763e-02 -1.910427763e-02 5.22 -1.673260725e-02 -1.673260725e-02 5.24 -1.461861689e-02 -1.461861689e-02 5.26 -1.274305939e-02 -1.274305939e-02 5.28 -1.108610092e-02 -1.108610092e-02 5.30 -9.627846326e-03 -9.627846326e-03 5.32 -8.348834728e-03 -8.348834728e-03 5.34 -7.230416205e-03 -7.230416205e-03 5.36 -6.255018888e-03 -6.255018888e-03 5.38 -5.406320731e-03 -5.406320731e-03 5.40 -4.669342057e-03 -4.669342057e-03 5.42 -4.030475173e-03 -4.030475173e-03 5.44 -3.477466239e-03 -3.477466239e-03 5.46 -2.999362735e-03 -2.999362735e-03 5.48 -2.586437712e-03 -2.586437712e-03 5.50 -2.230099884e-03 -2.230099884e-03 5.52 -1.922796557e-03 -1.922796557e-03 5.54 -1.657914654e-03 -1.657914654e-03 5.56 -1.429683598e-03 -1.429683598e-03 5.58 -1.233082615e-03 -1.233082615e-03 5.60 -1.061730611e-03 -1.061730611e-03 5.62 -9.161769620e-04 -9.161769620e-04 5.64 -7.908195672e-04 -7.908195672e-04 5.66 -6.828466032e-04 -6.828466032e-04 5.68 -5.898333015e-04 -5.898333015e-04 5.70 -5.096907023e-04 -5.096907023e-04 5.72 -4.406205456e-04 -4.406205456e-04 5.74 -3.810757558e-04 -3.810757558e-04 5.76 -3.297259637e-04 -3.297259637e-04 5.78 -2.854275256e-04 -2.854275256e-04 5.80 -2.471975255e-04 -2.471975255e-04 5.82 -2.141912833e-04 -2.141912833e-04 5.84 -1.856829344e-04 -1.856829344e-04 5.86 -1.610486867e-04 -1.610486867e-04 5.88 -1.397524072e-04 -1.397524072e-04 5.90 -1.213332250e-04 -1.213332250e-04 5.92 -1.053948793e-04 -1.053948793e-04 5.94 -9.159657240e-05 -9.159657240e-05 5.96 -7.964511894e-05 -7.964511894e-05 5.98 -6.928821003e-05 -6.928821003e-05 6.00 -6.030863622e-05 -6.030863622e-05