# 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 = AlMo2Zr # 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 2.628214694e+02 2.628214694e+02 1.30 2.441604371e+02 2.441604371e+02 1.32 2.268609075e+02 2.268609075e+02 1.34 2.108058418e+02 2.108058418e+02 1.36 1.958894277e+02 1.958894277e+02 1.38 1.820174014e+02 1.820174014e+02 1.40 1.691061794e+02 1.691061794e+02 1.42 1.570808818e+02 1.570808818e+02 1.44 1.458732417e+02 1.458732417e+02 1.46 1.354205610e+02 1.354205610e+02 1.48 1.256659761e+02 1.256659761e+02 1.50 1.165591483e+02 1.165591483e+02 1.52 1.080562980e+02 1.080562980e+02 1.54 1.001192800e+02 1.001192800e+02 1.56 9.271418724e+01 9.271418724e+01 1.58 8.581008529e+01 8.581008529e+01 1.60 7.937794242e+01 7.937794242e+01 1.62 7.338966604e+01 7.338966604e+01 1.64 6.781733136e+01 6.781733136e+01 1.66 6.263282260e+01 6.263282260e+01 1.68 5.780802362e+01 5.780802362e+01 1.70 5.331548345e+01 5.331548345e+01 1.72 4.912920169e+01 4.912920169e+01 1.74 4.522523569e+01 4.522523569e+01 1.76 4.158197871e+01 4.158197871e+01 1.78 3.818017737e+01 3.818017737e+01 1.80 3.500275464e+01 3.500275464e+01 1.82 3.203454268e+01 3.203454268e+01 1.84 2.926191853e+01 2.926191853e+01 1.86 2.667271739e+01 2.667271739e+01 1.88 2.425704148e+01 2.425704148e+01 1.90 2.200760655e+01 2.200760655e+01 1.92 1.991486623e+01 1.991486623e+01 1.94 1.797021367e+01 1.797021367e+01 1.96 1.616401805e+01 1.616401805e+01 1.98 1.448693225e+01 1.448693225e+01 2.00 1.293000860e+01 1.293000860e+01 2.02 1.148473882e+01 1.148473882e+01 2.04 1.014306647e+01 1.014306647e+01 2.06 8.897357229e+00 8.897357229e+00 2.08 7.740347902e+00 7.740347902e+00 2.10 6.665112823e+00 6.665112823e+00 2.12 5.665091734e+00 5.665091734e+00 2.14 4.734162485e+00 4.734162485e+00 2.16 3.866744466e+00 3.866744466e+00 2.18 3.057868420e+00 3.057868420e+00 2.20 2.303194483e+00 2.303194483e+00 2.22 1.598957786e+00 1.598957786e+00 2.24 9.418845939e-01 9.418845939e-01 2.26 3.291031408e-01 3.291031408e-01 2.28 -2.419362723e-01 -2.419362723e-01 2.30 -7.735136990e-01 -7.735136990e-01 2.32 -1.267706358e+00 -1.267706358e+00 2.34 -1.726412159e+00 -1.726412159e+00 2.36 -2.151404063e+00 -2.151404063e+00 2.38 -2.544359249e+00 -2.544359249e+00 2.40 -2.906885523e+00 -2.906885523e+00 2.42 -3.240545511e+00 -3.240545511e+00 2.44 -3.546868311e+00 -3.546868311e+00 2.46 -3.827362272e+00 -3.827362272e+00 2.48 -4.083515605e+00 -4.083515605e+00 2.50 -4.316789546e+00 -4.316789546e+00 2.52 -4.528605053e+00 -4.528605053e+00 2.54 -4.720326974e+00 -4.720326974e+00 2.56 -4.893250343e+00 -4.893250343e+00 2.58 -5.048592013e+00 -5.048592013e+00 2.60 -5.187487452e+00 -5.187487452e+00 2.62 -5.310987202e+00 -5.310987202e+00 2.64 -5.420064332e+00 -5.420064332e+00 2.66 -5.515595553e+00 -5.515595553e+00 2.68 -5.598378046e+00 -5.598378046e+00 2.70 -5.669175770e+00 -5.669175770e+00 2.72 -5.728598654e+00 -5.728598654e+00 2.74 -5.777050743e+00 -5.777050743e+00 2.76 -5.814973032e+00 -5.814973032e+00 2.78 -5.843106768e+00 -5.843106768e+00 2.80 -5.862170183e+00 -5.862170183e+00 2.82 -5.872854134e+00 -5.872854134e+00 2.84 -5.875834472e+00 -5.875834472e+00 2.86 -5.871766358e+00 -5.871766358e+00 2.88 -5.861208748e+00 -5.861208748e+00 2.90 -5.844637674e+00 -5.844637674e+00 2.92 -5.822197442e+00 -5.822197442e+00 2.94 -5.793884462e+00 -5.793884462e+00 2.96 -5.759777156e+00 -5.759777156e+00 2.98 -5.720029297e+00 -5.720029297e+00 3.00 -5.674857227e+00 -5.674857227e+00 3.02 -5.624564630e+00 -5.624564630e+00 3.04 -5.570133059e+00 -5.570133059e+00 3.06 -5.511863716e+00 -5.511863716e+00 3.08 -5.449748521e+00 -5.449748521e+00 3.10 -5.383797865e+00 -5.383797865e+00 3.12 -5.314023839e+00 -5.314023839e+00 3.14 -5.240444488e+00 -5.240444488e+00 3.16 -5.163062976e+00 -5.163062976e+00 3.18 -5.081887645e+00 -5.081887645e+00 3.20 -4.996949891e+00 -4.996949891e+00 3.22 -4.908294423e+00 -4.908294423e+00 3.24 -4.815983121e+00 -4.815983121e+00 3.26 -4.720107358e+00 -4.720107358e+00 3.28 -4.620799764e+00 -4.620799764e+00 3.30 -4.518244051e+00 -4.518244051e+00 3.32 -4.412681764e+00 -4.412681764e+00 3.34 -4.304415505e+00 -4.304415505e+00 3.36 -4.193809009e+00 -4.193809009e+00 3.38 -4.081284811e+00 -4.081284811e+00 3.40 -3.967319046e+00 -3.967319046e+00 3.42 -3.852439093e+00 -3.852439093e+00 3.44 -3.737207859e+00 -3.737207859e+00 3.46 -3.622215134e+00 -3.622215134e+00 3.48 -3.508059195e+00 -3.508059195e+00 3.50 -3.395326446e+00 -3.395326446e+00 3.52 -3.284569707e+00 -3.284569707e+00 3.54 -3.176287541e+00 -3.176287541e+00 3.56 -3.070906934e+00 -3.070906934e+00 3.58 -2.968771101e+00 -2.968771101e+00 3.60 -2.870133323e+00 -2.870133323e+00 3.62 -2.775156840e+00 -2.775156840e+00 3.64 -2.683920069e+00 -2.683920069e+00 3.66 -2.596425936e+00 -2.596425936e+00 3.68 -2.512613925e+00 -2.512613925e+00 3.70 -2.432373489e+00 -2.432373489e+00 3.72 -2.355557656e+00 -2.355557656e+00 3.74 -2.281995962e+00 -2.281995962e+00 3.76 -2.211506048e+00 -2.211506048e+00 3.78 -2.143903518e+00 -2.143903518e+00 3.80 -2.079009769e+00 -2.079009769e+00 3.82 -2.016657600e+00 -2.016657600e+00 3.84 -1.956694512e+00 -1.956694512e+00 3.86 -1.898983723e+00 -1.898983723e+00 3.88 -1.843403127e+00 -1.843403127e+00 3.90 -1.789842652e+00 -1.789842652e+00 3.92 -1.738199116e+00 -1.738199116e+00 3.94 -1.688379023e+00 -1.688379023e+00 3.96 -1.640285079e+00 -1.640285079e+00 3.98 -1.593821400e+00 -1.593821400e+00 4.00 -1.548890780e+00 -1.548890780e+00 4.02 -1.505395095e+00 -1.505395095e+00 4.04 -1.463236574e+00 -1.463236574e+00 4.06 -1.422319584e+00 -1.422319584e+00 4.08 -1.382552548e+00 -1.382552548e+00 4.10 -1.343844690e+00 -1.343844690e+00 4.12 -1.306129013e+00 -1.306129013e+00 4.14 -1.269329914e+00 -1.269329914e+00 4.16 -1.233388004e+00 -1.233388004e+00 4.18 -1.198254580e+00 -1.198254580e+00 4.20 -1.163892137e+00 -1.163892137e+00 4.22 -1.130274542e+00 -1.130274542e+00 4.24 -1.097386814e+00 -1.097386814e+00 4.26 -1.065224409e+00 -1.065224409e+00 4.28 -1.033791977e+00 -1.033791977e+00 4.30 -1.003101552e+00 -1.003101552e+00 4.32 -9.731702524e-01 -9.731702524e-01 4.34 -9.440176389e-01 -9.440176389e-01 4.36 -9.156629337e-01 -9.156629337e-01 4.38 -8.881223678e-01 -8.881223678e-01 4.40 -8.614069043e-01 -8.614069043e-01 4.42 -8.355205394e-01 -8.355205394e-01 4.44 -8.104593001e-01 -8.104593001e-01 4.46 -7.862109529e-01 -7.862109529e-01 4.48 -7.627553523e-01 -7.627553523e-01 4.50 -7.400652878e-01 -7.400652878e-01 4.52 -7.181076594e-01 -7.181076594e-01 4.54 -6.968448119e-01 -6.968448119e-01 4.56 -6.762358818e-01 -6.762358818e-01 4.58 -6.562380565e-01 -6.562380565e-01 4.60 -6.368076807e-01 -6.368076807e-01 4.62 -6.179010708e-01 -6.179010708e-01 4.64 -5.994753492e-01 -5.994753492e-01 4.66 -5.814894923e-01 -5.814894923e-01 4.68 -5.639043507e-01 -5.639043507e-01 4.70 -5.466831295e-01 -5.466831295e-01 4.72 -5.297918469e-01 -5.297918469e-01 4.74 -5.131997800e-01 -5.131997800e-01 4.76 -4.968799224e-01 -4.968799224e-01 4.78 -4.808094638e-01 -4.808094638e-01 4.80 -4.649671019e-01 -4.649671019e-01 4.82 -4.493468045e-01 -4.493468045e-01 4.84 -4.339374263e-01 -4.339374263e-01 4.86 -4.187376143e-01 -4.187376143e-01 4.88 -4.037521425e-01 -4.037521425e-01 4.90 -3.889918628e-01 -3.889918628e-01 4.92 -3.744733734e-01 -3.744733734e-01 4.94 -3.602183715e-01 -3.602183715e-01 4.96 -3.462526791e-01 -3.462526791e-01 4.98 -3.326049740e-01 -3.326049740e-01 5.00 -3.193052910e-01 -3.193052910e-01 5.02 -3.063833950e-01 -3.063833950e-01 5.04 -2.938671508e-01 -2.938671508e-01 5.06 -2.817810189e-01 -2.817810189e-01 5.08 -2.701447977e-01 -2.701447977e-01 5.10 -2.589727035e-01 -2.589727035e-01 5.12 -2.482728407e-01 -2.482728407e-01 5.14 -2.380470727e-01 -2.380470727e-01 5.16 -2.282912625e-01 -2.282912625e-01 5.18 -2.189958231e-01 -2.189958231e-01 5.20 -2.101464986e-01 -2.101464986e-01 5.22 -2.017252890e-01 -2.017252890e-01 5.24 -1.937114406e-01 -1.937114406e-01 5.26 -1.860824295e-01 -1.860824295e-01 5.28 -1.788148873e-01 -1.788148873e-01 5.30 -1.718854287e-01 -1.718854287e-01 5.32 -1.652713580e-01 -1.652713580e-01 5.34 -1.589512416e-01 -1.589512416e-01 5.36 -1.529053408e-01 -1.529053408e-01 5.38 -1.471159052e-01 -1.471159052e-01 5.40 -1.415673288e-01 -1.415673288e-01 5.42 -1.362461769e-01 -1.362461769e-01 5.44 -1.311410928e-01 -1.311410928e-01 5.46 -1.262426013e-01 -1.262426013e-01 5.48 -1.215428220e-01 -1.215428220e-01 5.50 -1.170351260e-01 -1.170351260e-01 5.52 -1.127137631e-01 -1.127137631e-01 5.54 -1.085734861e-01 -1.085734861e-01 5.56 -1.046092047e-01 -1.046092047e-01 5.58 -1.008156943e-01 -1.008156943e-01 5.60 -9.718725246e-02 -9.718725246e-02 5.62 -9.371774861e-02 -9.371774861e-02 5.64 -9.040068293e-02 -9.040068293e-02 5.66 -8.722897308e-02 -8.722897308e-02 5.68 -8.419502858e-02 -8.419502858e-02 5.70 -8.129086320e-02 -8.129086320e-02 5.72 -7.850822671e-02 -7.850822671e-02 5.74 -7.583874004e-02 -7.583874004e-02 5.76 -7.327402187e-02 -7.327402187e-02 5.78 -7.080579853e-02 -7.080579853e-02 5.80 -6.842599332e-02 -6.842599332e-02 5.82 -6.612679407e-02 -6.612679407e-02 5.84 -6.390070062e-02 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