# 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 = AlFe2Zr # 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 1.960741096e+02 1.960741096e+02 1.30 1.805474062e+02 1.805474062e+02 1.32 1.662243700e+02 1.662243700e+02 1.34 1.530017832e+02 1.530017832e+02 1.36 1.407885412e+02 1.407885412e+02 1.38 1.295044511e+02 1.295044511e+02 1.40 1.190781184e+02 1.190781184e+02 1.42 1.094444944e+02 1.094444944e+02 1.44 1.005430574e+02 1.005430574e+02 1.46 9.231744595e+01 9.231744595e+01 1.48 8.471624378e+01 8.471624378e+01 1.50 7.769356023e+01 7.769356023e+01 1.52 7.120835597e+01 7.120835597e+01 1.54 6.522277448e+01 6.522277448e+01 1.56 5.970060103e+01 5.970060103e+01 1.58 5.460672961e+01 5.460672961e+01 1.60 4.990738870e+01 4.990738870e+01 1.62 4.557052869e+01 4.557052869e+01 1.64 4.156605232e+01 4.156605232e+01 1.66 3.786597049e+01 3.786597049e+01 1.68 3.444461451e+01 3.444461451e+01 1.70 3.127892713e+01 3.127892713e+01 1.72 2.834857592e+01 2.834857592e+01 1.74 2.563588477e+01 2.563588477e+01 1.76 2.312568236e+01 2.312568236e+01 1.78 2.080366906e+01 2.080366906e+01 1.80 1.865658192e+01 1.865658192e+01 1.82 1.667375336e+01 1.667375336e+01 1.84 1.484407087e+01 1.484407087e+01 1.86 1.315640113e+01 1.315640113e+01 1.88 1.160029440e+01 1.160029440e+01 1.90 1.016600349e+01 1.016600349e+01 1.92 8.844418472e+00 8.844418472e+00 1.94 7.626960419e+00 7.626960419e+00 1.96 6.505436882e+00 6.505436882e+00 1.98 5.472008679e+00 5.472008679e+00 2.00 4.519262368e+00 4.519262368e+00 2.02 3.640335978e+00 3.640335978e+00 2.04 2.829032909e+00 2.829032909e+00 2.06 2.079865894e+00 2.079865894e+00 2.08 1.388015842e+00 1.388015842e+00 2.10 7.492309114e-01 7.492309114e-01 2.12 1.597260937e-01 1.597260937e-01 2.14 -3.839078073e-01 -3.839078073e-01 2.16 -8.847573222e-01 -8.847573222e-01 2.18 -1.345636302e+00 -1.345636302e+00 2.20 -1.769129382e+00 -1.769129382e+00 2.22 -2.157647408e+00 -2.157647408e+00 2.24 -2.513462301e+00 -2.513462301e+00 2.26 -2.838718151e+00 -2.838718151e+00 2.28 -3.135426462e+00 -3.135426462e+00 2.30 -3.405440296e+00 -3.405440296e+00 2.32 -3.650463965e+00 -3.650463965e+00 2.34 -3.872035370e+00 -3.872035370e+00 2.36 -4.071560658e+00 -4.071560658e+00 2.38 -4.250336124e+00 -4.250336124e+00 2.40 -4.409577798e+00 -4.409577798e+00 2.42 -4.550455685e+00 -4.550455685e+00 2.44 -4.674119291e+00 -4.674119291e+00 2.46 -4.781789891e+00 -4.781789891e+00 2.48 -4.874597854e+00 -4.874597854e+00 2.50 -4.953645670e+00 -4.953645670e+00 2.52 -5.020062488e+00 -5.020062488e+00 2.54 -5.074981558e+00 -5.074981558e+00 2.56 -5.119515881e+00 -5.119515881e+00 2.58 -5.154735896e+00 -5.154735896e+00 2.60 -5.181615723e+00 -5.181615723e+00 2.62 -5.200896200e+00 -5.200896200e+00 2.64 -5.213229953e+00 -5.213229953e+00 2.66 -5.219199582e+00 -5.219199582e+00 2.68 -5.219309029e+00 -5.219309029e+00 2.70 -5.213974389e+00 -5.213974389e+00 2.72 -5.203530242e+00 -5.203530242e+00 2.74 -5.188244358e+00 -5.188244358e+00 2.76 -5.168335007e+00 -5.168335007e+00 2.78 -5.143984336e+00 -5.143984336e+00 2.80 -5.115516518e+00 -5.115516518e+00 2.82 -5.083726990e+00 -5.083726990e+00 2.84 -5.048549331e+00 -5.048549331e+00 2.86 -5.009851286e+00 -5.009851286e+00 2.88 -4.967544537e+00 -4.967544537e+00 2.90 -4.921578055e+00 -4.921578055e+00 2.92 -4.871944880e+00 -4.871944880e+00 2.94 -4.818679057e+00 -4.818679057e+00 2.96 -4.761857916e+00 -4.761857916e+00 2.98 -4.701614634e+00 -4.701614634e+00 3.00 -4.638121280e+00 -4.638121280e+00 3.02 -4.571581307e+00 -4.571581307e+00 3.04 -4.502208578e+00 -4.502208578e+00 3.06 -4.430137134e+00 -4.430137134e+00 3.08 -4.355497374e+00 -4.355497374e+00 3.10 -4.278469191e+00 -4.278469191e+00 3.12 -4.199264303e+00 -4.199264303e+00 3.14 -4.118123714e+00 -4.118123714e+00 3.16 -4.035299177e+00 -4.035299177e+00 3.18 -3.951059995e+00 -3.951059995e+00 3.20 -3.865691514e+00 -3.865691514e+00 3.22 -3.779497425e+00 -3.779497425e+00 3.24 -3.692801674e+00 -3.692801674e+00 3.26 -3.605948267e+00 -3.605948267e+00 3.28 -3.519297514e+00 -3.519297514e+00 3.30 -3.433217815e+00 -3.433217815e+00 3.32 -3.348073021e+00 -3.348073021e+00 3.34 -3.264206663e+00 -3.264206663e+00 3.36 -3.181925444e+00 -3.181925444e+00 3.38 -3.101484887e+00 -3.101484887e+00 3.40 -3.023078477e+00 -3.023078477e+00 3.42 -2.946839029e+00 -2.946839029e+00 3.44 -2.872832975e+00 -2.872832975e+00 3.46 -2.801073014e+00 -2.801073014e+00 3.48 -2.731526408e+00 -2.731526408e+00 3.50 -2.664125840e+00 -2.664125840e+00 3.52 -2.598779884e+00 -2.598779884e+00 3.54 -2.535382168e+00 -2.535382168e+00 3.56 -2.473818828e+00 -2.473818828e+00 3.58 -2.413974181e+00 -2.413974181e+00 3.60 -2.355734802e+00 -2.355734802e+00 3.62 -2.298992276e+00 -2.298992276e+00 3.64 -2.243644965e+00 -2.243644965e+00 3.66 -2.189599085e+00 -2.189599085e+00 3.68 -2.136769376e+00 -2.136769376e+00 3.70 -2.085079590e+00 -2.085079590e+00 3.72 -2.034462947e+00 -2.034462947e+00 3.74 -1.984862646e+00 -1.984862646e+00 3.76 -1.936232439e+00 -1.936232439e+00 3.78 -1.888537155e+00 -1.888537155e+00 3.80 -1.841752990e+00 -1.841752990e+00 3.82 -1.795867305e+00 -1.795867305e+00 3.84 -1.750877661e+00 -1.750877661e+00 3.86 -1.706789882e+00 -1.706789882e+00 3.88 -1.663615161e+00 -1.663615161e+00 3.90 -1.621366394e+00 -1.621366394e+00 3.92 -1.580052666e+00 -1.580052666e+00 3.94 -1.539682207e+00 -1.539682207e+00 3.96 -1.500249219e+00 -1.500249219e+00 3.98 -1.461739785e+00 -1.461739785e+00 4.00 -1.424129843e+00 -1.424129843e+00 4.02 -1.387386357e+00 -1.387386357e+00 4.04 -1.351469371e+00 -1.351469371e+00 4.06 -1.316334531e+00 -1.316334531e+00 4.08 -1.281935713e+00 -1.281935713e+00 4.10 -1.248223131e+00 -1.248223131e+00 4.12 -1.215163854e+00 -1.215163854e+00 4.14 -1.182714806e+00 -1.182714806e+00 4.16 -1.150844627e+00 -1.150844627e+00 4.18 -1.119529499e+00 -1.119529499e+00 4.20 -1.088754033e+00 -1.088754033e+00 4.22 -1.058511789e+00 -1.058511789e+00 4.24 -1.028805346e+00 -1.028805346e+00 4.26 -9.996458612e-01 -9.996458612e-01 4.28 -9.710520461e-01 -9.710520461e-01 4.30 -9.430485672e-01 -9.430485672e-01 4.32 -9.156639246e-01 -9.156639246e-01 4.34 -8.889279618e-01 -8.889279618e-01 4.36 -8.628692238e-01 -8.628692238e-01 4.38 -8.375124229e-01 -8.375124229e-01 4.40 -8.128762656e-01 -8.128762656e-01 4.42 -7.889718446e-01 -7.889718446e-01 4.44 -7.658017145e-01 -7.658017145e-01 4.46 -7.433596695e-01 -7.433596695e-01 4.48 -7.216311501e-01 -7.216311501e-01 4.50 -7.005941411e-01 -7.005941411e-01 4.52 -6.802203900e-01 -6.802203900e-01 4.54 -6.604767778e-01 -6.604767778e-01 4.56 -6.413266955e-01 -6.413266955e-01 4.58 -6.227313276e-01 -6.227313276e-01 4.60 -6.046507770e-01 -6.046507770e-01 4.62 -5.870448575e-01 -5.870448575e-01 4.64 -5.698740569e-01 -5.698740569e-01 4.66 -5.531004456e-01 -5.531004456e-01 4.68 -5.366877369e-01 -5.366877369e-01 4.70 -5.206017721e-01 -5.206017721e-01 4.72 -5.048109642e-01 -5.048109642e-01 4.74 -4.892867238e-01 -4.892867238e-01 4.76 -4.740038951e-01 -4.740038951e-01 4.78 -4.589412134e-01 -4.589412134e-01 4.80 -4.440785950e-01 -4.440785950e-01 4.82 -4.294108827e-01 -4.294108827e-01 4.84 -4.149274522e-01 -4.149274522e-01 4.86 -4.006271182e-01 -4.006271182e-01 4.88 -3.865144836e-01 -3.865144836e-01 4.90 -3.725999209e-01 -3.725999209e-01 4.92 -3.588992887e-01 -3.588992887e-01 4.94 -3.454333490e-01 -3.454333490e-01 4.96 -3.322268726e-01 -3.322268726e-01 4.98 -3.193074579e-01 -3.193074579e-01 5.00 -3.067041250e-01 -3.067041250e-01 5.02 -2.944457763e-01 -2.944457763e-01 5.04 -2.825596430e-01 -2.825596430e-01 5.06 -2.710698405e-01 -2.710698405e-01 5.08 -2.599961494e-01 -2.599961494e-01 5.10 -2.493531096e-01 -2.493531096e-01 5.12 -2.391494841e-01 -2.391494841e-01 5.14 -2.293881025e-01 -2.293881025e-01 5.16 -2.200660601e-01 -2.200660601e-01 5.18 -2.111752175e-01 -2.111752175e-01 5.20 -2.027029252e-01 -2.027029252e-01 5.22 -1.946328934e-01 -1.946328934e-01 5.24 -1.869461301e-01 -1.869461301e-01 5.26 -1.796218797e-01 -1.796218797e-01 5.28 -1.726385100e-01 -1.726385100e-01 5.30 -1.659743105e-01 -1.659743105e-01 5.32 -1.596081775e-01 -1.596081775e-01 5.34 -1.535201708e-01 -1.535201708e-01 5.36 -1.476919391e-01 -1.476919391e-01 5.38 -1.421070093e-01 -1.421070093e-01 5.40 -1.367509430e-01 -1.367509430e-01 5.42 -1.316113671e-01 -1.316113671e-01 5.44 -1.266778854e-01 -1.266778854e-01 5.46 -1.219418893e-01 -1.219418893e-01 5.48 -1.173962779e-01 -1.173962779e-01 5.50 -1.130351231e-01 -1.130351231e-01 5.52 -1.088533042e-01 -1.088533042e-01 5.54 -1.048461394e-01 -1.048461394e-01 5.56 -1.010090468e-01 -1.010090468e-01 5.58 -9.733726047e-02 -9.733726047e-02 5.60 -9.382549162e-02 -9.382549162e-02 5.62 -9.046798503e-02 -9.046798503e-02 5.64 -8.725858199e-02 -8.725858199e-02 5.66 -8.419051177e-02 -8.419051177e-02 5.68 -8.125646981e-02 -8.125646981e-02 5.70 -7.844873363e-02 -7.844873363e-02 5.72 -7.575929758e-02 -7.575929758e-02 5.74 -7.318001069e-02 -7.318001069e-02 5.76 -7.070270556e-02 -7.070270556e-02 5.78 -6.831931030e-02 -6.831931030e-02 5.80 -6.602193948e-02 -6.602193948e-02 5.82 -6.380296316e-02 -6.380296316e-02 5.84 -6.165505551e-02 -6.165505551e-02 5.86 -5.957122599e-02 -5.957122599e-02 5.88 -5.754483707e-02 -5.754483707e-02 5.90 -5.556961261e-02 -5.556961261e-02 5.92 -5.363964114e-02 -5.363964114e-02 5.94 -5.174937777e-02 -5.174937777e-02 5.96 -4.989364813e-02 -4.989364813e-02 5.98 -4.806765715e-02 -4.806765715e-02 6.00 -4.626700495e-02 -4.626700495e-02