# 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-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = AgAu2Pb # 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 2024-04-11 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 3.833553607e+02 3.833553607e+02 1.30 3.567899213e+02 3.567899213e+02 1.32 3.321246400e+02 3.321246400e+02 1.34 3.092093028e+02 3.092093028e+02 1.36 2.879069449e+02 2.879069449e+02 1.38 2.680921867e+02 2.680921867e+02 1.40 2.496504232e+02 2.496504232e+02 1.42 2.324773272e+02 2.324773272e+02 1.44 2.164784386e+02 2.164784386e+02 1.46 2.015684281e+02 2.015684281e+02 1.48 1.876696398e+02 1.876696398e+02 1.50 1.747102669e+02 1.747102669e+02 1.52 1.626229987e+02 1.626229987e+02 1.54 1.513444841e+02 1.513444841e+02 1.56 1.408153500e+02 1.408153500e+02 1.58 1.309803370e+02 1.309803370e+02 1.60 1.217884031e+02 1.217884031e+02 1.62 1.131927506e+02 1.131927506e+02 1.64 1.051507364e+02 1.051507364e+02 1.66 9.762359671e+01 9.762359671e+01 1.68 9.057598401e+01 9.057598401e+01 1.70 8.397540757e+01 8.397540757e+01 1.72 7.779479737e+01 7.779479737e+01 1.74 7.202690931e+01 7.202690931e+01 1.76 6.665006558e+01 6.665006558e+01 1.78 6.164323636e+01 6.164323636e+01 1.80 5.698082866e+01 5.698082866e+01 1.82 5.263872068e+01 5.263872068e+01 1.84 4.859445544e+01 4.859445544e+01 1.86 4.482720877e+01 4.482720877e+01 1.88 4.131781220e+01 4.131781220e+01 1.90 3.804873407e+01 3.804873407e+01 1.92 3.500398693e+01 3.500398693e+01 1.94 3.216893428e+01 3.216893428e+01 1.96 2.953005264e+01 2.953005264e+01 1.98 2.707468867e+01 2.707468867e+01 2.00 2.479087474e+01 2.479087474e+01 2.02 2.266723088e+01 2.266723088e+01 2.04 2.069293887e+01 2.069293887e+01 2.06 1.885775833e+01 1.885775833e+01 2.08 1.715205434e+01 1.715205434e+01 2.10 1.556682277e+01 1.556682277e+01 2.12 1.409369510e+01 1.409369510e+01 2.14 1.272492681e+01 1.272492681e+01 2.16 1.145336414e+01 1.145336414e+01 2.18 1.027239852e+01 1.027239852e+01 2.20 9.175914650e+00 9.175914650e+00 2.22 8.158244942e+00 8.158244942e+00 2.24 7.214130489e+00 7.214130489e+00 2.26 6.338689119e+00 6.338689119e+00 2.28 5.527384389e+00 5.527384389e+00 2.30 4.775999281e+00 4.775999281e+00 2.32 4.080606166e+00 4.080606166e+00 2.34 3.437539332e+00 3.437539332e+00 2.36 2.843371741e+00 2.843371741e+00 2.38 2.294895108e+00 2.294895108e+00 2.40 1.789104248e+00 1.789104248e+00 2.42 1.323184573e+00 1.323184573e+00 2.44 8.945002376e-01 8.945002376e-01 2.46 5.005827503e-01 5.005827503e-01 2.48 1.391185837e-01 1.391185837e-01 2.50 -1.920637326e-01 -1.920637326e-01 2.52 -4.950067601e-01 -4.950067601e-01 2.54 -7.716371318e-01 -7.716371318e-01 2.56 -1.023777747e+00 -1.023777747e+00 2.58 -1.253158029e+00 -1.253158029e+00 2.60 -1.461420527e+00 -1.461420527e+00 2.62 -1.650121994e+00 -1.650121994e+00 2.64 -1.820730066e+00 -1.820730066e+00 2.66 -1.974613913e+00 -1.974613913e+00 2.68 -2.113037635e+00 -2.113037635e+00 2.70 -2.237168681e+00 -2.237168681e+00 2.72 -2.348197139e+00 -2.348197139e+00 2.74 -2.446982399e+00 -2.446982399e+00 2.76 -2.534254231e+00 -2.534254231e+00 2.78 -2.610702098e+00 -2.610702098e+00 2.80 -2.676979832e+00 -2.676979832e+00 2.82 -2.733708151e+00 -2.733708151e+00 2.84 -2.781477802e+00 -2.781477802e+00 2.86 -2.820851351e+00 -2.820851351e+00 2.88 -2.852361021e+00 -2.852361021e+00 2.90 -2.876503786e+00 -2.876503786e+00 2.92 -2.893756085e+00 -2.893756085e+00 2.94 -2.904642231e+00 -2.904642231e+00 2.96 -2.909638445e+00 -2.909638445e+00 2.98 -2.909095109e+00 -2.909095109e+00 3.00 -2.903380410e+00 -2.903380410e+00 3.02 -2.892881402e+00 -2.892881402e+00 3.04 -2.878001070e+00 -2.878001070e+00 3.06 -2.859154706e+00 -2.859154706e+00 3.08 -2.836757807e+00 -2.836757807e+00 3.10 -2.811218375e+00 -2.811218375e+00 3.12 -2.782929853e+00 -2.782929853e+00 3.14 -2.752259132e+00 -2.752259132e+00 3.16 -2.719533523e+00 -2.719533523e+00 3.18 -2.685041764e+00 -2.685041764e+00 3.20 -2.649064265e+00 -2.649064265e+00 3.22 -2.611809094e+00 -2.611809094e+00 3.24 -2.573427166e+00 -2.573427166e+00 3.26 -2.534050913e+00 -2.534050913e+00 3.28 -2.493797383e+00 -2.493797383e+00 3.30 -2.452771339e+00 -2.452771339e+00 3.32 -2.411068258e+00 -2.411068258e+00 3.34 -2.368777115e+00 -2.368777115e+00 3.36 -2.325981152e+00 -2.325981152e+00 3.38 -2.282753173e+00 -2.282753173e+00 3.40 -2.239163327e+00 -2.239163327e+00 3.42 -2.195283995e+00 -2.195283995e+00 3.44 -2.151188368e+00 -2.151188368e+00 3.46 -2.106950311e+00 -2.106950311e+00 3.48 -2.062643186e+00 -2.062643186e+00 3.50 -2.018338806e+00 -2.018338806e+00 3.52 -1.974106442e+00 -1.974106442e+00 3.54 -1.930012006e+00 -1.930012006e+00 3.56 -1.886117445e+00 -1.886117445e+00 3.58 -1.842480393e+00 -1.842480393e+00 3.60 -1.799154046e+00 -1.799154046e+00 3.62 -1.756187258e+00 -1.756187258e+00 3.64 -1.713624773e+00 -1.713624773e+00 3.66 -1.671507540e+00 -1.671507540e+00 3.68 -1.629873022e+00 -1.629873022e+00 3.70 -1.588755411e+00 -1.588755411e+00 3.72 -1.548185704e+00 -1.548185704e+00 3.74 -1.508191603e+00 -1.508191603e+00 3.76 -1.468797277e+00 -1.468797277e+00 3.78 -1.430023041e+00 -1.430023041e+00 3.80 -1.391885068e+00 -1.391885068e+00 3.82 -1.354395213e+00 -1.354395213e+00 3.84 -1.317561048e+00 -1.317561048e+00 3.86 -1.281386108e+00 -1.281386108e+00 3.88 -1.245870345e+00 -1.245870345e+00 3.90 -1.211010695e+00 -1.211010695e+00 3.92 -1.176801358e+00 -1.176801358e+00 3.94 -1.143235812e+00 -1.143235812e+00 3.96 -1.110305044e+00 -1.110305044e+00 3.98 -1.077999514e+00 -1.077999514e+00 4.00 -1.046309012e+00 -1.046309012e+00 4.02 -1.015222859e+00 -1.015222859e+00 4.04 -9.847300839e-01 -9.847300839e-01 4.06 -9.548196221e-01 -9.548196221e-01 4.08 -9.254805842e-01 -9.254805842e-01 4.10 -8.967015917e-01 -8.967015917e-01 4.12 -8.684755572e-01 -8.684755572e-01 4.14 -8.407935022e-01 -8.407935022e-01 4.16 -8.136499712e-01 -8.136499712e-01 4.18 -7.870424600e-01 -7.870424600e-01 4.20 -7.609720499e-01 -7.609720499e-01 4.22 -7.354438927e-01 -7.354438927e-01 4.24 -7.104674438e-01 -7.104674438e-01 4.26 -6.860563477e-01 -6.860563477e-01 4.28 -6.622279025e-01 -6.622279025e-01 4.30 -6.390020827e-01 -6.390020827e-01 4.32 -6.164001535e-01 -6.164001535e-01 4.34 -5.944429837e-01 -5.944429837e-01 4.36 -5.731492176e-01 -5.731492176e-01 4.38 -5.525335043e-01 -5.525335043e-01 4.40 -5.326049813e-01 -5.326049813e-01 4.42 -5.133661761e-01 -5.133661761e-01 4.44 -4.948124230e-01 -4.948124230e-01 4.46 -4.769318203e-01 -4.769318203e-01 4.48 -4.597056749e-01 -4.597056749e-01 4.50 -4.431093308e-01 -4.431093308e-01 4.52 -4.271132489e-01 -4.271132489e-01 4.54 -4.116842021e-01 -4.116842021e-01 4.56 -3.967864706e-01 -3.967864706e-01 4.58 -3.823829511e-01 -3.823829511e-01 4.60 -3.684361305e-01 -3.684361305e-01 4.62 -3.549089049e-01 -3.549089049e-01 4.64 -3.417652487e-01 -3.417652487e-01 4.66 -3.289707581e-01 -3.289707581e-01 4.68 -3.164930996e-01 -3.164930996e-01 4.70 -3.043023966e-01 -3.043023966e-01 4.72 -2.923715851e-01 -2.923715851e-01 4.74 -2.806767615e-01 -2.806767615e-01 4.76 -2.691975374e-01 -2.691975374e-01 4.78 -2.579174023e-01 -2.579174023e-01 4.80 -2.468233273e-01 -2.468233273e-01 4.82 -2.359092631e-01 -2.359092631e-01 4.84 -2.251714859e-01 -2.251714859e-01 4.86 -2.146122200e-01 -2.146122200e-01 4.88 -2.042387696e-01 -2.042387696e-01 4.90 -1.940633556e-01 -1.940633556e-01 4.92 -1.841027175e-01 -1.841027175e-01 4.94 -1.743774562e-01 -1.743774562e-01 4.96 -1.649111207e-01 -1.649111207e-01 4.98 -1.557290691e-01 -1.557290691e-01 5.00 -1.468571667e-01 -1.468571667e-01 5.02 -1.383204115e-01 -1.383204115e-01 5.04 -1.301415868e-01 -1.301415868e-01 5.06 -1.223400551e-01 -1.223400551e-01 5.08 -1.149307916e-01 -1.149307916e-01 5.10 -1.079237237e-01 -1.079237237e-01 5.12 -1.013234121e-01 -1.013234121e-01 5.14 -9.512906888e-02 -9.512906888e-02 5.16 -8.933488381e-02 -8.933488381e-02 5.18 -8.393059224e-02 -8.393059224e-02 5.20 -7.890216451e-02 -7.890216451e-02 5.22 -7.423211462e-02 -7.423211462e-02 5.24 -6.990169550e-02 -6.990169550e-02 5.26 -6.589096327e-02 -6.589096327e-02 5.28 -6.217915743e-02 -6.217915743e-02 5.30 -5.874532372e-02 -5.874532372e-02 5.32 -5.556879420e-02 -5.556879420e-02 5.34 -5.262953463e-02 -5.262953463e-02 5.36 -4.990829614e-02 -4.990829614e-02 5.38 -4.738679247e-02 -4.738679247e-02 5.40 -4.504806152e-02 -4.504806152e-02 5.42 -4.287620051e-02 -4.287620051e-02 5.44 -4.085635591e-02 -4.085635591e-02 5.46 -3.897470433e-02 -3.897470433e-02 5.48 -3.721842009e-02 -3.721842009e-02 5.50 -3.557563589e-02 -3.557563589e-02 5.52 -3.403539980e-02 -3.403539980e-02 5.54 -3.258763074e-02 -3.258763074e-02 5.56 -3.122307309e-02 -3.122307309e-02 5.58 -2.993325082e-02 -2.993325082e-02 5.60 -2.871042146e-02 -2.871042146e-02 5.62 -2.754753028e-02 -2.754753028e-02 5.64 -2.643816491e-02 -2.643816491e-02 5.66 -2.537651155e-02 -2.537651155e-02 5.68 -2.435731320e-02 -2.435731320e-02 5.70 -2.337583071e-02 -2.337583071e-02 5.72 -2.242780739e-02 -2.242780739e-02 5.74 -2.150943760e-02 -2.150943760e-02 5.76 -2.061733996e-02 -2.061733996e-02 5.78 -1.974853516e-02 -1.974853516e-02 5.80 -1.890042851e-02 -1.890042851e-02 5.82 -1.807079678e-02 -1.807079678e-02 5.84 -1.725777902e-02 -1.725777902e-02 5.86 -1.645987037e-02 -1.645987037e-02 5.88 -1.567591780e-02 -1.567591780e-02 5.90 -1.490511667e-02 -1.490511667e-02 5.92 -1.414700630e-02 -1.414700630e-02 5.94 -1.340145089e-02 -1.340145089e-02 5.96 -1.266856916e-02 -1.266856916e-02 5.98 -1.194887708e-02 -1.194887708e-02 6.00 -1.124319524e-02 -1.124319524e-02