# 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 = AlFeW2 # 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 2.742586761e+02 2.742586761e+02 1.30 2.524102302e+02 2.524102302e+02 1.32 2.323065455e+02 2.323065455e+02 1.34 2.137888593e+02 2.137888593e+02 1.36 1.967119254e+02 1.967119254e+02 1.38 1.809460052e+02 1.809460052e+02 1.40 1.663775673e+02 1.663775673e+02 1.42 1.529079688e+02 1.529079688e+02 1.44 1.404507110e+02 1.404507110e+02 1.46 1.289285887e+02 1.289285887e+02 1.48 1.182718871e+02 1.182718871e+02 1.50 1.084176666e+02 1.084176666e+02 1.52 9.930923988e+01 9.930923988e+01 1.54 9.089522482e+01 9.089522482e+01 1.56 8.312837585e+01 8.312837585e+01 1.58 7.596460539e+01 7.596460539e+01 1.60 6.936228590e+01 6.936228590e+01 1.62 6.328170054e+01 6.328170054e+01 1.64 5.768456812e+01 5.768456812e+01 1.66 5.253372374e+01 5.253372374e+01 1.68 4.779310494e+01 4.779310494e+01 1.70 4.342808200e+01 4.342808200e+01 1.72 3.940597001e+01 3.940597001e+01 1.74 3.569649029e+01 3.569649029e+01 1.76 3.227206377e+01 3.227206377e+01 1.78 2.910794799e+01 2.910794799e+01 1.80 2.618306717e+01 2.618306717e+01 1.82 2.347909569e+01 2.347909569e+01 1.84 2.097937701e+01 2.097937701e+01 1.86 1.866951244e+01 1.866951244e+01 1.88 1.653698198e+01 1.653698198e+01 1.90 1.457213791e+01 1.457213791e+01 1.92 1.276487261e+01 1.276487261e+01 1.94 1.110485966e+01 1.110485966e+01 1.96 9.581976683e+00 9.581976683e+00 1.98 8.186257633e+00 8.186257633e+00 2.00 6.907972193e+00 6.907972193e+00 2.02 5.737748112e+00 5.737748112e+00 2.04 4.666663704e+00 4.666663704e+00 2.06 3.686276381e+00 3.686276381e+00 2.08 2.788599965e+00 2.788599965e+00 2.10 1.966075333e+00 1.966075333e+00 2.12 1.211578342e+00 1.211578342e+00 2.14 5.184811433e-01 5.184811433e-01 2.16 -1.192508529e-01 -1.192508529e-01 2.18 -7.069648770e-01 -7.069648770e-01 2.20 -1.249267897e+00 -1.249267897e+00 2.22 -1.750036334e+00 -1.750036334e+00 2.24 -2.212486614e+00 -2.212486614e+00 2.26 -2.639286612e+00 -2.639286612e+00 2.28 -3.032681010e+00 -3.032681010e+00 2.30 -3.394607283e+00 -3.394607283e+00 2.32 -3.726788882e+00 -3.726788882e+00 2.34 -4.030801788e+00 -4.030801788e+00 2.36 -4.308117970e+00 -4.308117970e+00 2.38 -4.560129158e+00 -4.560129158e+00 2.40 -4.788010187e+00 -4.788010187e+00 2.42 -4.993102473e+00 -4.993102473e+00 2.44 -5.176824972e+00 -5.176824972e+00 2.46 -5.340529065e+00 -5.340529065e+00 2.48 -5.485509913e+00 -5.485509913e+00 2.50 -5.613013458e+00 -5.613013458e+00 2.52 -5.724240286e+00 -5.724240286e+00 2.54 -5.820333539e+00 -5.820333539e+00 2.56 -5.902019703e+00 -5.902019703e+00 2.58 -5.969652661e+00 -5.969652661e+00 2.60 -6.023654838e+00 -6.023654838e+00 2.62 -6.064513599e+00 -6.064513599e+00 2.64 -6.092748068e+00 -6.092748068e+00 2.66 -6.108872705e+00 -6.108872705e+00 2.68 -6.113365069e+00 -6.113365069e+00 2.70 -6.106645121e+00 -6.106645121e+00 2.72 -6.089069653e+00 -6.089069653e+00 2.74 -6.060940301e+00 -6.060940301e+00 2.76 -6.022520464e+00 -6.022520464e+00 2.78 -5.974056181e+00 -5.974056181e+00 2.80 -5.915797711e+00 -5.915797711e+00 2.82 -5.848020499e+00 -5.848020499e+00 2.84 -5.771045511e+00 -5.771045511e+00 2.86 -5.685259069e+00 -5.685259069e+00 2.88 -5.591131729e+00 -5.591131729e+00 2.90 -5.489241562e+00 -5.489241562e+00 2.92 -5.380957177e+00 -5.380957177e+00 2.94 -5.267233508e+00 -5.267233508e+00 2.96 -5.148608574e+00 -5.148608574e+00 2.98 -5.025783857e+00 -5.025783857e+00 3.00 -4.899580428e+00 -4.899580428e+00 3.02 -4.770888257e+00 -4.770888257e+00 3.04 -4.640618047e+00 -4.640618047e+00 3.06 -4.509655181e+00 -4.509655181e+00 3.08 -4.378824813e+00 -4.378824813e+00 3.10 -4.248830784e+00 -4.248830784e+00 3.12 -4.120228189e+00 -4.120228189e+00 3.14 -3.993399914e+00 -3.993399914e+00 3.16 -3.868456251e+00 -3.868456251e+00 3.18 -3.745332887e+00 -3.745332887e+00 3.20 -3.623878210e+00 -3.623878210e+00 3.22 -3.503882139e+00 -3.503882139e+00 3.24 -3.385104772e+00 -3.385104772e+00 3.26 -3.267302531e+00 -3.267302531e+00 3.28 -3.150250504e+00 -3.150250504e+00 3.30 -3.033760883e+00 -3.033760883e+00 3.32 -2.917698150e+00 -2.917698150e+00 3.34 -2.801991895e+00 -2.801991895e+00 3.36 -2.686647817e+00 -2.686647817e+00 3.38 -2.571756810e+00 -2.571756810e+00 3.40 -2.457501273e+00 -2.457501273e+00 3.42 -2.344157190e+00 -2.344157190e+00 3.44 -2.232090308e+00 -2.232090308e+00 3.46 -2.121745199e+00 -2.121745199e+00 3.48 -2.013626762e+00 -2.013626762e+00 3.50 -1.908275035e+00 -1.908275035e+00 3.52 -1.806235357e+00 -1.806235357e+00 3.54 -1.708026916e+00 -1.708026916e+00 3.56 -1.614113049e+00 -1.614113049e+00 3.58 -1.524876451e+00 -1.524876451e+00 3.60 -1.440601617e+00 -1.440601617e+00 3.62 -1.361465679e+00 -1.361465679e+00 3.64 -1.287537605e+00 -1.287537605e+00 3.66 -1.218784698e+00 -1.218784698e+00 3.68 -1.155084640e+00 -1.155084640e+00 3.70 -1.096241069e+00 -1.096241069e+00 3.72 -1.042000701e+00 -1.042000701e+00 3.74 -9.920703475e-01 -9.920703475e-01 3.76 -9.461325883e-01 -9.461325883e-01 3.78 -9.038593190e-01 -9.038593190e-01 3.80 -8.649227992e-01 -8.649227992e-01 3.82 -8.290041467e-01 -8.290041467e-01 3.84 -7.957994436e-01 -7.957994436e-01 3.86 -7.650237540e-01 -7.650237540e-01 3.88 -7.364134134e-01 -7.364134134e-01 3.90 -7.097269586e-01 -7.097269586e-01 3.92 -6.847450394e-01 -6.847450394e-01 3.94 -6.612696397e-01 -6.612696397e-01 3.96 -6.391227985e-01 -6.391227985e-01 3.98 -6.181451303e-01 -6.181451303e-01 4.00 -5.981942280e-01 -5.981942280e-01 4.02 -5.791430989e-01 -5.791430989e-01 4.04 -5.608787257e-01 -5.608787257e-01 4.06 -5.433008476e-01 -5.433008476e-01 4.08 -5.263209612e-01 -5.263209612e-01 4.10 -5.098614531e-01 -5.098614531e-01 4.12 -4.938552360e-01 -4.938552360e-01 4.14 -4.782458976e-01 -4.782458976e-01 4.16 -4.629872155e-01 -4.629872155e-01 4.18 -4.480432711e-01 -4.480432711e-01 4.20 -4.333886061e-01 -4.333886061e-01 4.22 -4.190082529e-01 -4.190082529e-01 4.24 -4.048975047e-01 -4.048975047e-01 4.26 -3.910612932e-01 -3.910612932e-01 4.28 -3.775130737e-01 -3.775130737e-01 4.30 -3.642731743e-01 -3.642731743e-01 4.32 -3.513666490e-01 -3.513666490e-01 4.34 -3.388207624e-01 -3.388207624e-01 4.36 -3.266623124e-01 -3.266623124e-01 4.38 -3.149150437e-01 -3.149150437e-01 4.40 -3.035974058e-01 -3.035974058e-01 4.42 -2.927208631e-01 -2.927208631e-01 4.44 -2.822888815e-01 -2.822888815e-01 4.46 -2.722966166e-01 -2.722966166e-01 4.48 -2.627312374e-01 -2.627312374e-01 4.50 -2.535727522e-01 -2.535727522e-01 4.52 -2.447951677e-01 -2.447951677e-01 4.54 -2.363678149e-01 -2.363678149e-01 4.56 -2.282566913e-01 -2.282566913e-01 4.58 -2.204257274e-01 -2.204257274e-01 4.60 -2.128379029e-01 -2.128379029e-01 4.62 -2.054560181e-01 -2.054560181e-01 4.64 -1.982435619e-01 -1.982435619e-01 4.66 -1.911660599e-01 -1.911660599e-01 4.68 -1.841908338e-01 -1.841908338e-01 4.70 -1.772875280e-01 -1.772875280e-01 4.72 -1.704286282e-01 -1.704286282e-01 4.74 -1.635899615e-01 -1.635899615e-01 4.76 -1.567512063e-01 -1.567512063e-01 4.78 -1.498964217e-01 -1.498964217e-01 4.80 -1.430145837e-01 -1.430145837e-01 4.82 -1.361001360e-01 -1.361001360e-01 4.84 -1.291534248e-01 -1.291534248e-01 4.86 -1.221810809e-01 -1.221810809e-01 4.88 -1.151961893e-01 -1.151961893e-01 4.90 -1.082182187e-01 -1.082182187e-01 4.92 -1.012726454e-01 -1.012726454e-01 4.94 -9.439023586e-02 -9.439023586e-02 4.96 -8.760598162e-02 -8.760598162e-02 4.98 -8.095772100e-02 -8.095772100e-02 5.00 -7.448452161e-02 -7.448452161e-02 5.02 -6.822493426e-02 -6.822493426e-02 5.04 -6.221525147e-02 -6.221525147e-02 5.06 -5.648791035e-02 -5.648791035e-02 5.08 -5.107016513e-02 -5.107016513e-02 5.10 -4.598312431e-02 -4.598312431e-02 5.12 -4.124120435e-02 -4.124120435e-02 5.14 -3.685200560e-02 -3.685200560e-02 5.16 -3.281657416e-02 -3.281657416e-02 5.18 -2.912997886e-02 -2.912997886e-02 5.20 -2.578211736e-02 -2.578211736e-02 5.22 -2.275865865e-02 -2.275865865e-02 5.24 -2.004203286e-02 -2.004203286e-02 5.26 -1.761236947e-02 -1.761236947e-02 5.28 -1.544808477e-02 -1.544808477e-02 5.30 -1.352748895e-02 -1.352748895e-02 5.32 -1.182898768e-02 -1.182898768e-02 5.34 -1.033142305e-02 -1.033142305e-02 5.36 -9.014492773e-03 -9.014492773e-03 5.38 -7.859042579e-03 -7.859042579e-03 5.40 -6.847251363e-03 -6.847251363e-03 5.42 -5.962729610e-03 -5.962729610e-03 5.44 -5.190550261e-03 -5.190550261e-03 5.46 -4.517229179e-03 -4.517229179e-03 5.48 -3.930669797e-03 -3.930669797e-03 5.50 -3.420083885e-03 -3.420083885e-03 5.52 -2.975897849e-03 -2.975897849e-03 5.54 -2.589651792e-03 -2.589651792e-03 5.56 -2.253896656e-03 -2.253896656e-03 5.58 -1.962093255e-03 -1.962093255e-03 5.60 -1.708515746e-03 -1.708515746e-03 5.62 -1.488161181e-03 -1.488161181e-03 5.64 -1.296666024e-03 -1.296666024e-03 5.66 -1.130230057e-03 -1.130230057e-03 5.68 -9.855476554e-04 -9.855476554e-04 5.70 -8.597462391e-04 -8.597462391e-04 5.72 -7.503314875e-04 -7.503314875e-04 5.74 -6.551388418e-04 -6.551388418e-04 5.76 -5.722907605e-04 -5.722907605e-04 5.78 -5.001591862e-04 -5.001591862e-04 5.80 -4.373326866e-04 -4.373326866e-04 5.82 -3.825877628e-04 -3.825877628e-04 5.84 -3.348638469e-04 -3.348638469e-04 5.86 -2.932415547e-04 -2.932415547e-04 5.88 -2.569237945e-04 -2.569237945e-04 5.90 -2.252193774e-04 -2.252193774e-04 5.92 -1.975288107e-04 -1.975288107e-04 5.94 -1.733319923e-04 -1.733319923e-04 5.96 -1.521775583e-04 -1.521775583e-04 5.98 -1.336736653e-04 -1.336736653e-04 6.00 -1.174800164e-04 -1.174800164e-04