# 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 = Fe2MgTi # 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 2.812525366e+02 2.812525366e+02 1.30 2.584393953e+02 2.584393953e+02 1.32 2.374624229e+02 2.374624229e+02 1.34 2.181614029e+02 2.181614029e+02 1.36 2.003933124e+02 2.003933124e+02 1.38 1.840308059e+02 1.840308059e+02 1.40 1.689597314e+02 1.689597314e+02 1.42 1.550768092e+02 1.550768092e+02 1.44 1.422882622e+02 1.422882622e+02 1.46 1.305090816e+02 1.305090816e+02 1.48 1.196621109e+02 1.196621109e+02 1.50 1.096767066e+02 1.096767066e+02 1.52 1.004873482e+02 1.004873482e+02 1.54 9.203264742e+01 9.203264742e+01 1.56 8.425494806e+01 8.425494806e+01 1.58 7.710032212e+01 7.710032212e+01 1.60 7.051861429e+01 7.051861429e+01 1.62 6.446337766e+01 6.446337766e+01 1.64 5.889171289e+01 5.889171289e+01 1.66 5.376404115e+01 5.376404115e+01 1.68 4.904386824e+01 4.904386824e+01 1.70 4.469744543e+01 4.469744543e+01 1.72 4.069369966e+01 4.069369966e+01 1.74 3.700461241e+01 3.700461241e+01 1.76 3.360495320e+01 3.360495320e+01 1.78 3.047203612e+01 3.047203612e+01 1.80 2.758539627e+01 2.758539627e+01 1.82 2.492645921e+01 2.492645921e+01 1.84 2.247824561e+01 2.247824561e+01 1.86 2.022512944e+01 2.022512944e+01 1.88 1.815263417e+01 1.815263417e+01 1.90 1.624726218e+01 1.624726218e+01 1.92 1.449635159e+01 1.449635159e+01 1.94 1.288797321e+01 1.288797321e+01 1.96 1.141087867e+01 1.141087867e+01 1.98 1.005449893e+01 1.005449893e+01 2.00 8.808963033e+00 8.808963033e+00 2.02 7.665111833e+00 7.665111833e+00 2.04 6.614505568e+00 6.614505568e+00 2.06 5.649433037e+00 5.649433037e+00 2.08 4.762918568e+00 4.762918568e+00 2.10 3.948710415e+00 3.948710415e+00 2.12 3.201233974e+00 3.201233974e+00 2.14 2.515508009e+00 2.515508009e+00 2.16 1.887040515e+00 1.887040515e+00 2.18 1.311722935e+00 1.311722935e+00 2.20 7.857400571e-01 7.857400571e-01 2.22 3.055014493e-01 3.055014493e-01 2.24 -1.323991330e-01 -1.323991330e-01 2.26 -5.311965588e-01 -5.311965588e-01 2.28 -8.939452757e-01 -8.939452757e-01 2.30 -1.223496669e+00 -1.223496669e+00 2.32 -1.522481311e+00 -1.522481311e+00 2.34 -1.793297857e+00 -1.793297857e+00 2.36 -2.038118854e+00 -2.038118854e+00 2.38 -2.258907806e+00 -2.258907806e+00 2.40 -2.457446004e+00 -2.457446004e+00 2.42 -2.635390225e+00 -2.635390225e+00 2.44 -2.794286638e+00 -2.794286638e+00 2.46 -2.935465864e+00 -2.935465864e+00 2.48 -3.060192680e+00 -3.060192680e+00 2.50 -3.169680263e+00 -3.169680263e+00 2.52 -3.265090610e+00 -3.265090610e+00 2.54 -3.347531204e+00 -3.347531204e+00 2.56 -3.418030796e+00 -3.418030796e+00 2.58 -3.477426622e+00 -3.477426622e+00 2.60 -3.526469300e+00 -3.526469300e+00 2.62 -3.565886411e+00 -3.565886411e+00 2.64 -3.596377744e+00 -3.596377744e+00 2.66 -3.618591361e+00 -3.618591361e+00 2.68 -3.633139648e+00 -3.633139648e+00 2.70 -3.640600563e+00 -3.640600563e+00 2.72 -3.641518559e+00 -3.641518559e+00 2.74 -3.636406629e+00 -3.636406629e+00 2.76 -3.625749028e+00 -3.625749028e+00 2.78 -3.609942430e+00 -3.609942430e+00 2.80 -3.589096594e+00 -3.589096594e+00 2.82 -3.563290707e+00 -3.563290707e+00 2.84 -3.532665128e+00 -3.532665128e+00 2.86 -3.497416862e+00 -3.497416862e+00 2.88 -3.457792610e+00 -3.457792610e+00 2.90 -3.414079037e+00 -3.414079037e+00 2.92 -3.366591058e+00 -3.366591058e+00 2.94 -3.315659752e+00 -3.315659752e+00 2.96 -3.261621720e+00 -3.261621720e+00 2.98 -3.204811136e+00 -3.204811136e+00 3.00 -3.145554535e+00 -3.145554535e+00 3.02 -3.084167229e+00 -3.084167229e+00 3.04 -3.020949608e+00 -3.020949608e+00 3.06 -2.956184065e+00 -2.956184065e+00 3.08 -2.890128989e+00 -2.890128989e+00 3.10 -2.823036796e+00 -2.823036796e+00 3.12 -2.755114489e+00 -2.755114489e+00 3.14 -2.686505744e+00 -2.686505744e+00 3.16 -2.617348739e+00 -2.617348739e+00 3.18 -2.547786951e+00 -2.547786951e+00 3.20 -2.477977768e+00 -2.477977768e+00 3.22 -2.408056385e+00 -2.408056385e+00 3.24 -2.338104003e+00 -2.338104003e+00 3.26 -2.268243709e+00 -2.268243709e+00 3.28 -2.198648838e+00 -2.198648838e+00 3.30 -2.129534031e+00 -2.129534031e+00 3.32 -2.061142159e+00 -2.061142159e+00 3.34 -1.993728465e+00 -1.993728465e+00 3.36 -1.927543845e+00 -1.927543845e+00 3.38 -1.862819391e+00 -1.862819391e+00 3.40 -1.799754045e+00 -1.799754045e+00 3.42 -1.738506997e+00 -1.738506997e+00 3.44 -1.679194194e+00 -1.679194194e+00 3.46 -1.621889994e+00 -1.621889994e+00 3.48 -1.566631772e+00 -1.566631772e+00 3.50 -1.513426517e+00 -1.513426517e+00 3.52 -1.462257861e+00 -1.462257861e+00 3.54 -1.413092296e+00 -1.413092296e+00 3.56 -1.365883777e+00 -1.365883777e+00 3.58 -1.320576527e+00 -1.320576527e+00 3.60 -1.277106402e+00 -1.277106402e+00 3.62 -1.235401524e+00 -1.235401524e+00 3.64 -1.195382956e+00 -1.195382956e+00 3.66 -1.156965943e+00 -1.156965943e+00 3.68 -1.120061867e+00 -1.120061867e+00 3.70 -1.084580727e+00 -1.084580727e+00 3.72 -1.050433771e+00 -1.050433771e+00 3.74 -1.017535898e+00 -1.017535898e+00 3.76 -9.858075540e-01 -9.858075540e-01 3.78 -9.551759976e-01 -9.551759976e-01 3.80 -9.255759338e-01 -9.255759338e-01 3.82 -8.969495958e-01 -8.969495958e-01 3.84 -8.692463793e-01 -8.692463793e-01 3.86 -8.424221514e-01 -8.424221514e-01 3.88 -8.164383476e-01 -8.164383476e-01 3.90 -7.912609690e-01 -7.912609690e-01 3.92 -7.668594377e-01 -7.668594377e-01 3.94 -7.432063078e-01 -7.432063078e-01 3.96 -7.202755548e-01 -7.202755548e-01 3.98 -6.980427227e-01 -6.980427227e-01 4.00 -6.764843948e-01 -6.764843948e-01 4.02 -6.555780143e-01 -6.555780143e-01 4.04 -6.353018245e-01 -6.353018245e-01 4.06 -6.156348799e-01 -6.156348799e-01 4.08 -5.965570854e-01 -5.965570854e-01 4.10 -5.780488296e-01 -5.780488296e-01 4.12 -5.600927076e-01 -5.600927076e-01 4.14 -5.426708288e-01 -5.426708288e-01 4.16 -5.257666892e-01 -5.257666892e-01 4.18 -5.093646181e-01 -5.093646181e-01 4.20 -4.934497160e-01 -4.934497160e-01 4.22 -4.780077836e-01 -4.780077836e-01 4.24 -4.630252467e-01 -4.630252467e-01 4.26 -4.484890812e-01 -4.484890812e-01 4.28 -4.343867413e-01 -4.343867413e-01 4.30 -4.207060946e-01 -4.207060946e-01 4.32 -4.074353643e-01 -4.074353643e-01 4.34 -3.945630790e-01 -3.945630790e-01 4.36 -3.820780315e-01 -3.820780315e-01 4.38 -3.699692440e-01 -3.699692440e-01 4.40 -3.582259402e-01 -3.582259402e-01 4.42 -3.468375231e-01 -3.468375231e-01 4.44 -3.357935562e-01 -3.357935562e-01 4.46 -3.250837485e-01 -3.250837485e-01 4.48 -3.146979420e-01 -3.146979420e-01 4.50 -3.046261000e-01 -3.046261000e-01 4.52 -2.948582978e-01 -2.948582978e-01 4.54 -2.853847129e-01 -2.853847129e-01 4.56 -2.761956177e-01 -2.761956177e-01 4.58 -2.672813724e-01 -2.672813724e-01 4.60 -2.586324202e-01 -2.586324202e-01 4.62 -2.502392849e-01 -2.502392849e-01 4.64 -2.420925720e-01 -2.420925720e-01 4.66 -2.341829754e-01 -2.341829754e-01 4.68 -2.265012904e-01 -2.265012904e-01 4.70 -2.190384361e-01 -2.190384361e-01 4.72 -2.117854887e-01 -2.117854887e-01 4.74 -2.047337282e-01 -2.047337282e-01 4.76 -1.978747011e-01 -1.978747011e-01 4.78 -1.912003009e-01 -1.912003009e-01 4.80 -1.847026245e-01 -1.847026245e-01 4.82 -1.783751001e-01 -1.783751001e-01 4.84 -1.722110209e-01 -1.722110209e-01 4.86 -1.662047911e-01 -1.662047911e-01 4.88 -1.603518141e-01 -1.603518141e-01 4.90 -1.546485871e-01 -1.546485871e-01 4.92 -1.490927890e-01 -1.490927890e-01 4.94 -1.436833216e-01 -1.436833216e-01 4.96 -1.384202702e-01 -1.384202702e-01 4.98 -1.333047913e-01 -1.333047913e-01 5.00 -1.283389059e-01 -1.283389059e-01 5.02 -1.235252076e-01 -1.235252076e-01 5.04 -1.188665023e-01 -1.188665023e-01 5.06 -1.143654113e-01 -1.143654113e-01 5.08 -1.100237527e-01 -1.100237527e-01 5.10 -1.058421172e-01 -1.058421172e-01 5.12 -1.018207953e-01 -1.018207953e-01 5.14 -9.795865176e-02 -9.795865176e-02 5.16 -9.425301110e-02 -9.425301110e-02 5.18 -9.069973365e-02 -9.069973365e-02 5.20 -8.729338513e-02 -8.729338513e-02 5.22 -8.402746958e-02 -8.402746958e-02 5.24 -8.089469439e-02 -8.089469439e-02 5.26 -7.788723932e-02 -7.788723932e-02 5.28 -7.499700746e-02 -7.499700746e-02 5.30 -7.221584381e-02 -7.221584381e-02 5.32 -6.953571363e-02 -6.953571363e-02 5.34 -6.694883900e-02 -6.694883900e-02 5.36 -6.444779544e-02 -6.444779544e-02 5.38 -6.202557355e-02 -6.202557355e-02 5.40 -5.967561167e-02 -5.967561167e-02 5.42 -5.739180623e-02 -5.739180623e-02 5.44 -5.516850648e-02 -5.516850648e-02 5.46 -5.300050049e-02 -5.300050049e-02 5.48 -5.088299870e-02 -5.088299870e-02 5.50 -4.881162127e-02 -4.881162127e-02 5.52 -4.678239470e-02 -4.678239470e-02 5.54 -4.479176209e-02 -4.479176209e-02 5.56 -4.283661003e-02 -4.283661003e-02 5.58 -4.091431281e-02 -4.091431281e-02 5.60 -3.902279241e-02 -3.902279241e-02 5.62 -3.716058967e-02 -3.716058967e-02 5.64 -3.532693970e-02 -3.532693970e-02 5.66 -3.352184220e-02 -3.352184220e-02 5.68 -3.174611588e-02 -3.174611588e-02 5.70 -3.000142395e-02 -3.000142395e-02 5.72 -2.829026273e-02 -2.829026273e-02 5.74 -2.661590343e-02 -2.661590343e-02 5.76 -2.498228265e-02 -2.498228265e-02 5.78 -2.339384211e-02 -2.339384211e-02 5.80 -2.185532432e-02 -2.185532432e-02 5.82 -2.037153585e-02 -2.037153585e-02 5.84 -1.894709551e-02 -1.894709551e-02 5.86 -1.758618681e-02 -1.758618681e-02 5.88 -1.629227869e-02 -1.629227869e-02 5.90 -1.506780708e-02 -1.506780708e-02 5.92 -1.391458033e-02 -1.391458033e-02 5.94 -1.283340515e-02 -1.283340515e-02 5.96 -1.182403596e-02 -1.182403596e-02 5.98 -1.088523622e-02 -1.088523622e-02 6.00 -1.001488723e-02 -1.001488723e-02