# 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 = FeWZr2 # 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 3.601674774e+02 3.601674774e+02 1.30 3.329626594e+02 3.329626594e+02 1.32 3.078241361e+02 3.078241361e+02 1.34 2.845777527e+02 2.845777527e+02 1.36 2.630657088e+02 2.630657088e+02 1.38 2.431458081e+02 2.431458081e+02 1.40 2.246906542e+02 2.246906542e+02 1.42 2.075857683e+02 2.075857683e+02 1.44 1.917274259e+02 1.917274259e+02 1.46 1.770215033e+02 1.770215033e+02 1.48 1.633830510e+02 1.633830510e+02 1.50 1.507352817e+02 1.507352817e+02 1.52 1.390078405e+02 1.390078405e+02 1.54 1.281352671e+02 1.281352671e+02 1.56 1.180563885e+02 1.180563885e+02 1.58 1.087145338e+02 1.087145338e+02 1.60 1.000576074e+02 1.000576074e+02 1.62 9.203750544e+01 9.203750544e+01 1.64 8.460914744e+01 8.460914744e+01 1.66 7.772970499e+01 7.772970499e+01 1.68 7.135830575e+01 7.135830575e+01 1.70 6.545626942e+01 6.545626942e+01 1.72 5.998743364e+01 5.998743364e+01 1.74 5.491840504e+01 5.491840504e+01 1.76 5.021858408e+01 5.021858408e+01 1.78 4.586005353e+01 4.586005353e+01 1.80 4.181730456e+01 4.181730456e+01 1.82 3.806695356e+01 3.806695356e+01 1.84 3.458735600e+01 3.458735600e+01 1.86 3.135848603e+01 3.135848603e+01 1.88 2.836196070e+01 2.836196070e+01 1.90 2.558113454e+01 2.558113454e+01 1.92 2.300102094e+01 2.300102094e+01 1.94 2.060805845e+01 2.060805845e+01 1.96 1.838972211e+01 1.838972211e+01 1.98 1.633494473e+01 1.633494473e+01 2.00 1.443366245e+01 1.443366245e+01 2.02 1.267520280e+01 1.267520280e+01 2.04 1.104931024e+01 1.104931024e+01 2.06 9.546250474e+00 9.546250474e+00 2.08 8.156725771e+00 8.156725771e+00 2.10 6.871853270e+00 6.871853270e+00 2.12 5.683228309e+00 5.683228309e+00 2.14 4.583020812e+00 4.583020812e+00 2.16 3.564104738e+00 3.564104738e+00 2.18 2.620122098e+00 2.620122098e+00 2.20 1.745474547e+00 1.745474547e+00 2.22 9.352191242e-01 9.352191242e-01 2.24 1.849511673e-01 1.849511673e-01 2.26 -5.092916295e-01 -5.092916295e-01 2.28 -1.151105939e+00 -1.151105939e+00 2.30 -1.743736181e+00 -1.743736181e+00 2.32 -2.290156293e+00 -2.290156293e+00 2.34 -2.793065798e+00 -2.793065798e+00 2.36 -3.254974712e+00 -3.254974712e+00 2.38 -3.678244267e+00 -3.678244267e+00 2.40 -4.065130016e+00 -4.065130016e+00 2.42 -4.417823243e+00 -4.417823243e+00 2.44 -4.738468510e+00 -4.738468510e+00 2.46 -5.029182157e+00 -5.029182157e+00 2.48 -5.292046817e+00 -5.292046817e+00 2.50 -5.529092457e+00 -5.529092457e+00 2.52 -5.742266902e+00 -5.742266902e+00 2.54 -5.933402839e+00 -5.933402839e+00 2.56 -6.104189262e+00 -6.104189262e+00 2.58 -6.256155052e+00 -6.256155052e+00 2.60 -6.390669264e+00 -6.390669264e+00 2.62 -6.508952345e+00 -6.508952345e+00 2.64 -6.612119230e+00 -6.612119230e+00 2.66 -6.701173722e+00 -6.701173722e+00 2.68 -6.777050932e+00 -6.777050932e+00 2.70 -6.840613971e+00 -6.840613971e+00 2.72 -6.892620363e+00 -6.892620363e+00 2.74 -6.933882479e+00 -6.933882479e+00 2.76 -6.965177165e+00 -6.965177165e+00 2.78 -6.987248718e+00 -6.987248718e+00 2.80 -7.000869222e+00 -7.000869222e+00 2.82 -7.006534144e+00 -7.006534144e+00 2.84 -7.004693393e+00 -7.004693393e+00 2.86 -6.995783270e+00 -6.995783270e+00 2.88 -6.980223481e+00 -6.980223481e+00 2.90 -6.958307554e+00 -6.958307554e+00 2.92 -6.930242845e+00 -6.930242845e+00 2.94 -6.896271344e+00 -6.896271344e+00 2.96 -6.856496941e+00 -6.856496941e+00 2.98 -6.810887830e+00 -6.810887830e+00 3.00 -6.759474557e+00 -6.759474557e+00 3.02 -6.702338969e+00 -6.702338969e+00 3.04 -6.639590588e+00 -6.639590588e+00 3.06 -6.571367030e+00 -6.571367030e+00 3.08 -6.497800109e+00 -6.497800109e+00 3.10 -6.419029742e+00 -6.419029742e+00 3.12 -6.335197663e+00 -6.335197663e+00 3.14 -6.246470394e+00 -6.246470394e+00 3.16 -6.153009119e+00 -6.153009119e+00 3.18 -6.055006123e+00 -6.055006123e+00 3.20 -5.952686128e+00 -5.952686128e+00 3.22 -5.846311594e+00 -5.846311594e+00 3.24 -5.736187232e+00 -5.736187232e+00 3.26 -5.622663384e+00 -5.622663384e+00 3.28 -5.506135660e+00 -5.506135660e+00 3.30 -5.386989796e+00 -5.386989796e+00 3.32 -5.265600042e+00 -5.265600042e+00 3.34 -5.142392640e+00 -5.142392640e+00 3.36 -5.017831829e+00 -5.017831829e+00 3.38 -4.892401699e+00 -4.892401699e+00 3.40 -4.766589335e+00 -4.766589335e+00 3.42 -4.640881299e+00 -4.640881299e+00 3.44 -4.515744381e+00 -4.515744381e+00 3.46 -4.391628590e+00 -4.391628590e+00 3.48 -4.268959783e+00 -4.268959783e+00 3.50 -4.148133643e+00 -4.148133643e+00 3.52 -4.029508557e+00 -4.029508557e+00 3.54 -3.913397984e+00 -3.913397984e+00 3.56 -3.800063440e+00 -3.800063440e+00 3.58 -3.689709213e+00 -3.689709213e+00 3.60 -3.582479711e+00 -3.582479711e+00 3.62 -3.478459857e+00 -3.478459857e+00 3.64 -3.377678535e+00 -3.377678535e+00 3.66 -3.280114667e+00 -3.280114667e+00 3.68 -3.185705339e+00 -3.185705339e+00 3.70 -3.094355240e+00 -3.094355240e+00 3.72 -3.005946758e+00 -3.005946758e+00 3.74 -2.920350091e+00 -2.920350091e+00 3.76 -2.837432817e+00 -2.837432817e+00 3.78 -2.757068414e+00 -2.757068414e+00 3.80 -2.679143180e+00 -2.679143180e+00 3.82 -2.603561044e+00 -2.603561044e+00 3.84 -2.530245797e+00 -2.530245797e+00 3.86 -2.459140472e+00 -2.459140472e+00 3.88 -2.390203962e+00 -2.390203962e+00 3.90 -2.323405425e+00 -2.323405425e+00 3.92 -2.258713760e+00 -2.258713760e+00 3.94 -2.196106543e+00 -2.196106543e+00 3.96 -2.135539825e+00 -2.135539825e+00 3.98 -2.076962353e+00 -2.076962353e+00 4.00 -2.020310074e+00 -2.020310074e+00 4.02 -1.965507499e+00 -1.965507499e+00 4.04 -1.912470601e+00 -1.912470601e+00 4.06 -1.861110455e+00 -1.861110455e+00 4.08 -1.811336906e+00 -1.811336906e+00 4.10 -1.763052657e+00 -1.763052657e+00 4.12 -1.716193864e+00 -1.716193864e+00 4.14 -1.670671632e+00 -1.670671632e+00 4.16 -1.626415223e+00 -1.626415223e+00 4.18 -1.583361095e+00 -1.583361095e+00 4.20 -1.541452738e+00 -1.541452738e+00 4.22 -1.500640196e+00 -1.500640196e+00 4.24 -1.460879419e+00 -1.460879419e+00 4.26 -1.422131536e+00 -1.422131536e+00 4.28 -1.384362106e+00 -1.384362106e+00 4.30 -1.347540414e+00 -1.347540414e+00 4.32 -1.311638820e+00 -1.311638820e+00 4.34 -1.276632193e+00 -1.276632193e+00 4.36 -1.242497425e+00 -1.242497425e+00 4.38 -1.209213020e+00 -1.209213020e+00 4.40 -1.176758771e+00 -1.176758771e+00 4.42 -1.145115488e+00 -1.145115488e+00 4.44 -1.114264790e+00 -1.114264790e+00 4.46 -1.084188945e+00 -1.084188945e+00 4.48 -1.054870748e+00 -1.054870748e+00 4.50 -1.026293422e+00 -1.026293422e+00 4.52 -9.984405565e-01 -9.984405565e-01 4.54 -9.712960499e-01 -9.712960499e-01 4.56 -9.448440761e-01 -9.448440761e-01 4.58 -9.190690563e-01 -9.190690563e-01 4.60 -8.939556391e-01 -8.939556391e-01 4.62 -8.694886857e-01 -8.694886857e-01 4.64 -8.456532592e-01 -8.456532592e-01 4.66 -8.224346150e-01 -8.224346150e-01 4.68 -7.998181932e-01 -7.998181932e-01 4.70 -7.777896119e-01 -7.777896119e-01 4.72 -7.563346596e-01 -7.563346596e-01 4.74 -7.354392880e-01 -7.354392880e-01 4.76 -7.150896040e-01 -7.150896040e-01 4.78 -6.952718612e-01 -6.952718612e-01 4.80 -6.759662417e-01 -6.759662417e-01 4.82 -6.571727328e-01 -6.571727328e-01 4.84 -6.388705210e-01 -6.388705210e-01 4.86 -6.210463723e-01 -6.210463723e-01 4.88 -6.036871360e-01 -6.036871360e-01 4.90 -5.867797316e-01 -5.867797316e-01 4.92 -5.703111350e-01 -5.703111350e-01 4.94 -5.542683648e-01 -5.542683648e-01 4.96 -5.386384693e-01 -5.386384693e-01 4.98 -5.234085140e-01 -5.234085140e-01 5.00 -5.085655710e-01 -5.085655710e-01 5.02 -4.940967123e-01 -4.940967123e-01 5.04 -4.799890071e-01 -4.799890071e-01 5.06 -4.662295259e-01 -4.662295259e-01 5.08 -4.528053529e-01 -4.528053529e-01 5.10 -4.397036099e-01 -4.397036099e-01 5.12 -4.269114947e-01 -4.269114947e-01 5.14 -4.144163361e-01 -4.144163361e-01 5.16 -4.022056703e-01 -4.022056703e-01 5.18 -3.902673416e-01 -3.902673416e-01 5.20 -3.785896298e-01 -3.785896298e-01 5.22 -3.671614068e-01 -3.671614068e-01 5.24 -3.559723220e-01 -3.559723220e-01 5.26 -3.450130148e-01 -3.450130148e-01 5.28 -3.342753472e-01 -3.342753472e-01 5.30 -3.237526480e-01 -3.237526480e-01 5.32 -3.134399510e-01 -3.134399510e-01 5.34 -3.033342095e-01 -3.033342095e-01 5.36 -2.934344592e-01 -2.934344592e-01 5.38 -2.837419049e-01 -2.837419049e-01 5.40 -2.742599014e-01 -2.742599014e-01 5.42 -2.649938081e-01 -2.649938081e-01 5.44 -2.559507010e-01 -2.559507010e-01 5.46 -2.471389458e-01 -2.471389458e-01 5.48 -2.385676448e-01 -2.385676448e-01 5.50 -2.302459950e-01 -2.302459950e-01 5.52 -2.221826060e-01 -2.221826060e-01 5.54 -2.143848332e-01 -2.143848332e-01 5.56 -2.068581878e-01 -2.068581878e-01 5.58 -1.996058710e-01 -1.996058710e-01 5.60 -1.926282392e-01 -1.926282392e-01 5.62 -1.859230248e-01 -1.859230248e-01 5.64 -1.794856003e-01 -1.794856003e-01 5.66 -1.733087581e-01 -1.733087581e-01 5.68 -1.673830314e-01 -1.673830314e-01 5.70 -1.616970901e-01 -1.616970901e-01 5.72 -1.562381665e-01 -1.562381665e-01 5.74 -1.509924767e-01 -1.509924767e-01 5.76 -1.459456097e-01 -1.459456097e-01 5.78 -1.410828660e-01 -1.410828660e-01 5.80 -1.363895382e-01 -1.363895382e-01 5.82 -1.318511316e-01 -1.318511316e-01 5.84 -1.274535291e-01 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