# 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 = Mo2WZr # 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 3.814406535e+02 3.814406535e+02 1.30 3.532760138e+02 3.532760138e+02 1.32 3.272465124e+02 3.272465124e+02 1.34 3.031661156e+02 3.031661156e+02 1.36 2.808618131e+02 2.808618131e+02 1.38 2.601751139e+02 2.601751139e+02 1.40 2.409641125e+02 2.409641125e+02 1.42 2.231042219e+02 2.231042219e+02 1.44 2.064871058e+02 2.064871058e+02 1.46 1.910185109e+02 1.910185109e+02 1.48 1.766158835e+02 1.766158835e+02 1.50 1.632062299e+02 1.632062299e+02 1.52 1.507244728e+02 1.507244728e+02 1.54 1.391122403e+02 1.391122403e+02 1.56 1.283169257e+02 1.283169257e+02 1.58 1.182906654e+02 1.182906654e+02 1.60 1.089889710e+02 1.089889710e+02 1.62 1.003691240e+02 1.003691240e+02 1.64 9.238882739e+01 9.238882739e+01 1.66 8.500551124e+01 8.500551124e+01 1.68 7.817639083e+01 7.817639083e+01 1.70 7.185911864e+01 7.185911864e+01 1.72 6.601256070e+01 6.601256070e+01 1.74 6.059746904e+01 6.059746904e+01 1.76 5.557693918e+01 5.557693918e+01 1.78 5.091674070e+01 5.091674070e+01 1.80 4.658557138e+01 4.658557138e+01 1.82 4.255530172e+01 4.255530172e+01 1.84 3.880112092e+01 3.880112092e+01 1.86 3.530160878e+01 3.530160878e+01 1.88 3.203857253e+01 3.203857253e+01 1.90 2.899661172e+01 2.899661172e+01 1.92 2.616245388e+01 2.616245388e+01 1.94 2.352457316e+01 2.352457316e+01 1.96 2.107273435e+01 2.107273435e+01 1.98 1.879726859e+01 1.879726859e+01 2.00 1.669088947e+01 1.669088947e+01 2.02 1.474299291e+01 1.474299291e+01 2.04 1.294281656e+01 1.294281656e+01 2.06 1.127970473e+01 1.127970473e+01 2.08 9.743141159e+00 9.743141159e+00 2.10 8.322847193e+00 8.322847193e+00 2.12 7.008939927e+00 7.008939927e+00 2.14 5.792134128e+00 5.792134128e+00 2.16 4.663948448e+00 4.663948448e+00 2.18 3.616842641e+00 3.616842641e+00 2.20 2.644261387e+00 2.644261387e+00 2.22 1.740566518e+00 1.740566518e+00 2.24 9.009094411e-01 9.009094411e-01 2.26 1.210833803e-01 1.210833803e-01 2.28 -6.026272856e-01 -6.026272856e-01 2.30 -1.273544543e+00 -1.273544543e+00 2.32 -1.894715886e+00 -1.894715886e+00 2.34 -2.468967272e+00 -2.468967272e+00 2.36 -2.998973808e+00 -2.998973808e+00 2.38 -3.487295793e+00 -3.487295793e+00 2.40 -3.936403109e+00 -3.936403109e+00 2.42 -4.348690246e+00 -4.348690246e+00 2.44 -4.726472849e+00 -4.726472849e+00 2.46 -5.071980025e+00 -5.071980025e+00 2.48 -5.387332285e+00 -5.387332285e+00 2.50 -5.674514537e+00 -5.674514537e+00 2.52 -5.935350240e+00 -5.935350240e+00 2.54 -6.171483338e+00 -6.171483338e+00 2.56 -6.384372076e+00 -6.384372076e+00 2.58 -6.575296406e+00 -6.575296406e+00 2.60 -6.745378532e+00 -6.745378532e+00 2.62 -6.895611624e+00 -6.895611624e+00 2.64 -7.026904801e+00 -7.026904801e+00 2.66 -7.140048447e+00 -7.140048447e+00 2.68 -7.235869495e+00 -7.235869495e+00 2.70 -7.315249579e+00 -7.315249579e+00 2.72 -7.379073002e+00 -7.379073002e+00 2.74 -7.428235631e+00 -7.428235631e+00 2.76 -7.463702769e+00 -7.463702769e+00 2.78 -7.486323837e+00 -7.486323837e+00 2.80 -7.496905928e+00 -7.496905928e+00 2.82 -7.496242600e+00 -7.496242600e+00 2.84 -7.485003363e+00 -7.485003363e+00 2.86 -7.463492809e+00 -7.463492809e+00 2.88 -7.432463864e+00 -7.432463864e+00 2.90 -7.392636065e+00 -7.392636065e+00 2.92 -7.344496655e+00 -7.344496655e+00 2.94 -7.288514462e+00 -7.288514462e+00 2.96 -7.225167830e+00 -7.225167830e+00 2.98 -7.154934179e+00 -7.154934179e+00 3.00 -7.078144275e+00 -7.078144275e+00 3.02 -6.994648345e+00 -6.994648345e+00 3.04 -6.904284623e+00 -6.904284623e+00 3.06 -6.807003494e+00 -6.807003494e+00 3.08 -6.702825974e+00 -6.702825974e+00 3.10 -6.591833042e+00 -6.591833042e+00 3.12 -6.474140390e+00 -6.474140390e+00 3.14 -6.349894177e+00 -6.349894177e+00 3.16 -6.219245789e+00 -6.219245789e+00 3.18 -6.082360277e+00 -6.082360277e+00 3.20 -5.939415512e+00 -5.939415512e+00 3.22 -5.790609774e+00 -5.790609774e+00 3.24 -5.636174229e+00 -5.636174229e+00 3.26 -5.476389320e+00 -5.476389320e+00 3.28 -5.311603266e+00 -5.311603266e+00 3.30 -5.142250126e+00 -5.142250126e+00 3.32 -4.968864732e+00 -4.968864732e+00 3.34 -4.792092245e+00 -4.792092245e+00 3.36 -4.612691044e+00 -4.612691044e+00 3.38 -4.431528469e+00 -4.431528469e+00 3.40 -4.249568230e+00 -4.249568230e+00 3.42 -4.067856133e+00 -4.067856133e+00 3.44 -3.887486741e+00 -3.887486741e+00 3.46 -3.709575554e+00 -3.709575554e+00 3.48 -3.535219440e+00 -3.535219440e+00 3.50 -3.365455901e+00 -3.365455901e+00 3.52 -3.201223465e+00 -3.201223465e+00 3.54 -3.043327118e+00 -3.043327118e+00 3.56 -2.892412165e+00 -2.892412165e+00 3.58 -2.748948748e+00 -2.748948748e+00 3.60 -2.613227800e+00 -2.613227800e+00 3.62 -2.485367720e+00 -2.485367720e+00 3.64 -2.365329989e+00 -2.365329989e+00 3.66 -2.252941218e+00 -2.252941218e+00 3.68 -2.147918960e+00 -2.147918960e+00 3.70 -2.049898810e+00 -2.049898810e+00 3.72 -1.958460749e+00 -1.958460749e+00 3.74 -1.873153246e+00 -1.873153246e+00 3.76 -1.793514166e+00 -1.793514166e+00 3.78 -1.719087938e+00 -1.719087938e+00 3.80 -1.649438794e+00 -1.649438794e+00 3.82 -1.584160053e+00 -1.584160053e+00 3.84 -1.522879599e+00 -1.522879599e+00 3.86 -1.465261876e+00 -1.465261876e+00 3.88 -1.411006864e+00 -1.411006864e+00 3.90 -1.359846783e+00 -1.359846783e+00 3.92 -1.311539310e+00 -1.311539310e+00 3.94 -1.265871224e+00 -1.265871224e+00 3.96 -1.222639910e+00 -1.222639910e+00 3.98 -1.181659539e+00 -1.181659539e+00 4.00 -1.142756166e+00 -1.142756166e+00 4.02 -1.105766643e+00 -1.105766643e+00 4.04 -1.070538419e+00 -1.070538419e+00 4.06 -1.036929815e+00 -1.036929815e+00 4.08 -1.004810399e+00 -1.004810399e+00 4.10 -9.740558065e-01 -9.740558065e-01 4.12 -9.445703885e-01 -9.445703885e-01 4.14 -9.162507287e-01 -9.162507287e-01 4.16 -8.890110759e-01 -8.890110759e-01 4.18 -8.627753440e-01 -8.627753440e-01 4.20 -8.374760460e-01 -8.374760460e-01 4.22 -8.130534189e-01 -8.130534189e-01 4.24 -7.894545309e-01 -7.894545309e-01 4.26 -7.666324230e-01 -7.666324230e-01 4.28 -7.445453149e-01 -7.445453149e-01 4.30 -7.231558922e-01 -7.231558922e-01 4.32 -7.024306766e-01 -7.024306766e-01 4.34 -6.823394798e-01 -6.823394798e-01 4.36 -6.628549329e-01 -6.628549329e-01 4.38 -6.439520848e-01 -6.439520848e-01 4.40 -6.256080620e-01 -6.256080620e-01 4.42 -6.078017791e-01 -6.078017791e-01 4.44 -5.905136958e-01 -5.905136958e-01 4.46 -5.737256111e-01 -5.737256111e-01 4.48 -5.574204900e-01 -5.574204900e-01 4.50 -5.415823168e-01 -5.415823168e-01 4.52 -5.261959712e-01 -5.261959712e-01 4.54 -5.112471238e-01 -5.112471238e-01 4.56 -4.967221467e-01 -4.967221467e-01 4.58 -4.826080373e-01 -4.826080373e-01 4.60 -4.688923533e-01 -4.688923533e-01 4.62 -4.555631568e-01 -4.555631568e-01 4.64 -4.426089658e-01 -4.426089658e-01 4.66 -4.300187117e-01 -4.300187117e-01 4.68 -4.177817027e-01 -4.177817027e-01 4.70 -4.058875908e-01 -4.058875908e-01 4.72 -3.943263423e-01 -3.943263423e-01 4.74 -3.830882120e-01 -3.830882120e-01 4.76 -3.721637185e-01 -3.721637185e-01 4.78 -3.615436227e-01 -3.615436227e-01 4.80 -3.512157300e-01 -3.512157300e-01 4.82 -3.411781194e-01 -3.411781194e-01 4.84 -3.314183463e-01 -3.314183463e-01 4.86 -3.219279615e-01 -3.219279615e-01 4.88 -3.126986620e-01 -3.126986620e-01 4.90 -3.037222757e-01 -3.037222757e-01 4.92 -2.949907457e-01 -2.949907457e-01 4.94 -2.864961166e-01 -2.864961166e-01 4.96 -2.782305205e-01 -2.782305205e-01 4.98 -2.701861651e-01 -2.701861651e-01 5.00 -2.623553227e-01 -2.623553227e-01 5.02 -2.547303221e-01 -2.547303221e-01 5.04 -2.473035425e-01 -2.473035425e-01 5.06 -2.400674124e-01 -2.400674124e-01 5.08 -2.330144128e-01 -2.330144128e-01 5.10 -2.261370868e-01 -2.261370868e-01 5.12 -2.194280578e-01 -2.194280578e-01 5.14 -2.128800566e-01 -2.128800566e-01 5.16 -2.064859609e-01 -2.064859609e-01 5.18 -2.002388472e-01 -2.002388472e-01 5.20 -1.941320586e-01 -1.941320586e-01 5.22 -1.881592878e-01 -1.881592878e-01 5.24 -1.823146760e-01 -1.823146760e-01 5.26 -1.765929271e-01 -1.765929271e-01 5.28 -1.709894326e-01 -1.709894326e-01 5.30 -1.655004022e-01 -1.655004022e-01 5.32 -1.601229930e-01 -1.601229930e-01 5.34 -1.548554236e-01 -1.548554236e-01 5.36 -1.496970618e-01 -1.496970618e-01 5.38 -1.446484704e-01 -1.446484704e-01 5.40 -1.397113951e-01 -1.397113951e-01 5.42 -1.348886848e-01 -1.348886848e-01 5.44 -1.301841331e-01 -1.301841331e-01 5.46 -1.256022461e-01 -1.256022461e-01 5.48 -1.211479402e-01 -1.211479402e-01 5.50 -1.168261931e-01 -1.168261931e-01 5.52 -1.126416727e-01 -1.126416727e-01 5.54 -1.085983744e-01 -1.085983744e-01 5.56 -1.046993005e-01 -1.046993005e-01 5.58 -1.009462075e-01 -1.009462075e-01 5.60 -9.733933908e-02 -9.733933908e-02 5.62 -9.387751120e-02 -9.387751120e-02 5.64 -9.055823474e-02 -9.055823474e-02 5.66 -8.737763695e-02 -8.737763695e-02 5.68 -8.433063501e-02 -8.433063501e-02 5.70 -8.141114951e-02 -8.141114951e-02 5.72 -7.861233472e-02 -7.861233472e-02 5.74 -7.592680632e-02 -7.592680632e-02 5.76 -7.334685179e-02 -7.334685179e-02 5.78 -7.086461392e-02 -7.086461392e-02 5.80 -6.847224251e-02 -6.847224251e-02 5.82 -6.616201372e-02 -6.616201372e-02 5.84 -6.392641902e-02 -6.392641902e-02 5.86 -6.175822801e-02 -6.175822801e-02 5.88 -5.965053026e-02 -5.965053026e-02 5.90 -5.759676167e-02 -5.759676167e-02 5.92 -5.559072074e-02 -5.559072074e-02 5.94 -5.362657971e-02 -5.362657971e-02 5.96 -5.169889482e-02 -5.169889482e-02 5.98 -4.980261931e-02 -4.980261931e-02 6.00 -4.793312344e-02 -4.793312344e-02