# 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 = AlPb2Ti # 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 3.136482523e+02 3.136482523e+02 1.30 2.933810774e+02 2.933810774e+02 1.32 2.745058807e+02 2.745058807e+02 1.34 2.569144067e+02 2.569144067e+02 1.36 2.405065805e+02 2.405065805e+02 1.38 2.251899281e+02 2.251899281e+02 1.40 2.108802262e+02 2.108802262e+02 1.42 1.975019919e+02 1.975019919e+02 1.44 1.849878478e+02 1.849878478e+02 1.46 1.732771881e+02 1.732771881e+02 1.48 1.623148645e+02 1.623148645e+02 1.50 1.520500113e+02 1.520500113e+02 1.52 1.424350285e+02 1.424350285e+02 1.54 1.334250670e+02 1.334250670e+02 1.56 1.249779190e+02 1.249779190e+02 1.58 1.170540720e+02 1.170540720e+02 1.60 1.096167891e+02 1.096167891e+02 1.62 1.026323302e+02 1.026323302e+02 1.64 9.607017682e+01 9.607017682e+01 1.66 8.990308467e+01 8.990308467e+01 1.68 8.410674012e+01 8.410674012e+01 1.70 7.865902280e+01 7.865902280e+01 1.72 7.353914956e+01 7.353914956e+01 1.74 6.872714103e+01 6.872714103e+01 1.76 6.420956637e+01 6.420956637e+01 1.78 5.997528657e+01 5.997528657e+01 1.80 5.600607573e+01 5.600607573e+01 1.82 5.228359205e+01 5.228359205e+01 1.84 4.879094362e+01 4.879094362e+01 1.86 4.551271494e+01 4.551271494e+01 1.88 4.243484698e+01 4.243484698e+01 1.90 3.954446137e+01 3.954446137e+01 1.92 3.682969231e+01 3.682969231e+01 1.94 3.427959387e+01 3.427959387e+01 1.96 3.188407390e+01 3.188407390e+01 1.98 2.963383453e+01 2.963383453e+01 2.00 2.752026924e+01 2.752026924e+01 2.02 2.553532632e+01 2.553532632e+01 2.04 2.367137863e+01 2.367137863e+01 2.06 2.192115144e+01 2.192115144e+01 2.08 2.027772626e+01 2.027772626e+01 2.10 1.873457979e+01 1.873457979e+01 2.12 1.728562795e+01 1.728562795e+01 2.14 1.592522811e+01 1.592522811e+01 2.16 1.464814987e+01 1.464814987e+01 2.18 1.344952990e+01 1.344952990e+01 2.20 1.232482187e+01 1.232482187e+01 2.22 1.126976009e+01 1.126976009e+01 2.24 1.028033197e+01 1.028033197e+01 2.26 9.352759944e+00 9.352759944e+00 2.28 8.483491169e+00 8.483491169e+00 2.30 7.669181940e+00 7.669181940e+00 2.32 6.906679034e+00 6.906679034e+00 2.34 6.193003230e+00 6.193003230e+00 2.36 5.525321381e+00 5.525321381e+00 2.38 4.900928649e+00 4.900928649e+00 2.40 4.317236305e+00 4.317236305e+00 2.42 3.771767308e+00 3.771767308e+00 2.44 3.262156588e+00 3.262156588e+00 2.46 2.786157274e+00 2.786157274e+00 2.48 2.341649069e+00 2.341649069e+00 2.50 1.926647796e+00 1.926647796e+00 2.52 1.539313521e+00 1.539313521e+00 2.54 1.177954366e+00 1.177954366e+00 2.56 8.410230236e-01 8.410230236e-01 2.58 5.271043157e-01 5.271043157e-01 2.60 2.348949501e-01 2.348949501e-01 2.62 -3.681950684e-02 -3.681950684e-02 2.64 -2.891895667e-01 -2.891895667e-01 2.66 -5.233395916e-01 -5.233395916e-01 2.68 -7.403352161e-01 -7.403352161e-01 2.70 -9.411466437e-01 -9.411466437e-01 2.72 -1.126707228e+00 -1.126707228e+00 2.74 -1.297908427e+00 -1.297908427e+00 2.76 -1.455595829e+00 -1.455595829e+00 2.78 -1.600566987e+00 -1.600566987e+00 2.80 -1.733572032e+00 -1.733572032e+00 2.82 -1.855313692e+00 -1.855313692e+00 2.84 -1.966541353e+00 -1.966541353e+00 2.86 -2.068392183e+00 -2.068392183e+00 2.88 -2.161258137e+00 -2.161258137e+00 2.90 -2.245405245e+00 -2.245405245e+00 2.92 -2.321115697e+00 -2.321115697e+00 2.94 -2.388686043e+00 -2.388686043e+00 2.96 -2.448427395e+00 -2.448427395e+00 2.98 -2.500667440e+00 -2.500667440e+00 3.00 -2.545753590e+00 -2.545753590e+00 3.02 -2.584060663e+00 -2.584060663e+00 3.04 -2.615998433e+00 -2.615998433e+00 3.06 -2.641996565e+00 -2.641996565e+00 3.08 -2.662492314e+00 -2.662492314e+00 3.10 -2.677923231e+00 -2.677923231e+00 3.12 -2.688715231e+00 -2.688715231e+00 3.14 -2.695277914e+00 -2.695277914e+00 3.16 -2.697991417e+00 -2.697991417e+00 3.18 -2.697207676e+00 -2.697207676e+00 3.20 -2.693247690e+00 -2.693247690e+00 3.22 -2.686401257e+00 -2.686401257e+00 3.24 -2.676927293e+00 -2.676927293e+00 3.26 -2.665054585e+00 -2.665054585e+00 3.28 -2.650983192e+00 -2.650983192e+00 3.30 -2.634886740e+00 -2.634886740e+00 3.32 -2.616915652e+00 -2.616915652e+00 3.34 -2.597201040e+00 -2.597201040e+00 3.36 -2.575896247e+00 -2.575896247e+00 3.38 -2.553117895e+00 -2.553117895e+00 3.40 -2.528920456e+00 -2.528920456e+00 3.42 -2.503364325e+00 -2.503364325e+00 3.44 -2.476515828e+00 -2.476515828e+00 3.46 -2.448449204e+00 -2.448449204e+00 3.48 -2.419246789e+00 -2.419246789e+00 3.50 -2.388998912e+00 -2.388998912e+00 3.52 -2.357803081e+00 -2.357803081e+00 3.54 -2.325762154e+00 -2.325762154e+00 3.56 -2.292977655e+00 -2.292977655e+00 3.58 -2.259541404e+00 -2.259541404e+00 3.60 -2.225543721e+00 -2.225543721e+00 3.62 -2.191071529e+00 -2.191071529e+00 3.64 -2.156206167e+00 -2.156206167e+00 3.66 -2.121022325e+00 -2.121022325e+00 3.68 -2.085588072e+00 -2.085588072e+00 3.70 -2.049965635e+00 -2.049965635e+00 3.72 -2.014212476e+00 -2.014212476e+00 3.74 -1.978382238e+00 -1.978382238e+00 3.76 -1.942525290e+00 -1.942525290e+00 3.78 -1.906688801e+00 -1.906688801e+00 3.80 -1.870916436e+00 -1.870916436e+00 3.82 -1.835247872e+00 -1.835247872e+00 3.84 -1.799718352e+00 -1.799718352e+00 3.86 -1.764358435e+00 -1.764358435e+00 3.88 -1.729194013e+00 -1.729194013e+00 3.90 -1.694246596e+00 -1.694246596e+00 3.92 -1.659533184e+00 -1.659533184e+00 3.94 -1.625069357e+00 -1.625069357e+00 3.96 -1.590865892e+00 -1.590865892e+00 3.98 -1.556932046e+00 -1.556932046e+00 4.00 -1.523275244e+00 -1.523275244e+00 4.02 -1.489901396e+00 -1.489901396e+00 4.04 -1.456815156e+00 -1.456815156e+00 4.06 -1.424020156e+00 -1.424020156e+00 4.08 -1.391519269e+00 -1.391519269e+00 4.10 -1.359312789e+00 -1.359312789e+00 4.12 -1.327407972e+00 -1.327407972e+00 4.14 -1.295805343e+00 -1.295805343e+00 4.16 -1.264509437e+00 -1.264509437e+00 4.18 -1.233526942e+00 -1.233526942e+00 4.20 -1.202867503e+00 -1.202867503e+00 4.22 -1.172544433e+00 -1.172544433e+00 4.24 -1.142575209e+00 -1.142575209e+00 4.26 -1.112981641e+00 -1.112981641e+00 4.28 -1.083789602e+00 -1.083789602e+00 4.30 -1.055028280e+00 -1.055028280e+00 4.32 -1.026728956e+00 -1.026728956e+00 4.34 -9.989234079e-01 -9.989234079e-01 4.36 -9.716420903e-01 -9.716420903e-01 4.38 -9.449122986e-01 -9.449122986e-01 4.40 -9.187565244e-01 -9.187565244e-01 4.42 -8.931911791e-01 -8.931911791e-01 4.44 -8.682258009e-01 -8.682258009e-01 4.46 -8.438627776e-01 -8.438627776e-01 4.48 -8.200975484e-01 -8.200975484e-01 4.50 -7.969191885e-01 -7.969191885e-01 4.52 -7.743112520e-01 -7.743112520e-01 4.54 -7.522527482e-01 -7.522527482e-01 4.56 -7.307191402e-01 -7.307191402e-01 4.58 -7.096832891e-01 -7.096832891e-01 4.60 -6.891162957e-01 -6.891162957e-01 4.62 -6.689882240e-01 -6.689882240e-01 4.64 -6.492687137e-01 -6.492687137e-01 4.66 -6.299275056e-01 -6.299275056e-01 4.68 -6.109349108e-01 -6.109349108e-01 4.70 -5.922622586e-01 -5.922622586e-01 4.72 -5.738823561e-01 -5.738823561e-01 4.74 -5.557699837e-01 -5.557699837e-01 4.76 -5.379024450e-01 -5.379024450e-01 4.78 -5.202601740e-01 -5.202601740e-01 4.80 -5.028259637e-01 -5.028259637e-01 4.82 -4.855915784e-01 -4.855915784e-01 4.84 -4.685491453e-01 -4.685491453e-01 4.86 -4.516981924e-01 -4.516981924e-01 4.88 -4.350443936e-01 -4.350443936e-01 4.90 -4.185997840e-01 -4.185997840e-01 4.92 -4.023826820e-01 -4.023826820e-01 4.94 -3.864172599e-01 -3.864172599e-01 4.96 -3.707327352e-01 -3.707327352e-01 4.98 -3.553621906e-01 -3.553621906e-01 5.00 -3.403410763e-01 -3.403410763e-01 5.02 -3.257054938e-01 -3.257054938e-01 5.04 -3.114903914e-01 -3.114903914e-01 5.06 -2.977278266e-01 -2.977278266e-01 5.08 -2.844454425e-01 -2.844454425e-01 5.10 -2.716652850e-01 -2.716652850e-01 5.12 -2.594030430e-01 -2.594030430e-01 5.14 -2.476677410e-01 -2.476677410e-01 5.16 -2.364618627e-01 -2.364618627e-01 5.18 -2.257818349e-01 -2.257818349e-01 5.20 -2.156187761e-01 -2.156187761e-01 5.22 -2.059593987e-01 -2.059593987e-01 5.24 -1.967869603e-01 -1.967869603e-01 5.26 -1.880821739e-01 -1.880821739e-01 5.28 -1.798240169e-01 -1.798240169e-01 5.30 -1.719904001e-01 -1.719904001e-01 5.32 -1.645586868e-01 -1.645586868e-01 5.34 -1.575060718e-01 -1.575060718e-01 5.36 -1.508098409e-01 -1.508098409e-01 5.38 -1.444475423e-01 -1.444475423e-01 5.40 -1.383970987e-01 -1.383970987e-01 5.42 -1.326368867e-01 -1.326368867e-01 5.44 -1.271458058e-01 -1.271458058e-01 5.46 -1.219033512e-01 -1.219033512e-01 5.48 -1.168896938e-01 -1.168896938e-01 5.50 -1.120857760e-01 -1.120857760e-01 5.52 -1.074734208e-01 -1.074734208e-01 5.54 -1.030354486e-01 -1.030354486e-01 5.56 -9.875579796e-02 -9.875579796e-02 5.58 -9.461964683e-02 -9.461964683e-02 5.60 -9.061352903e-02 -9.061352903e-02 5.62 -8.672543889e-02 -8.672543889e-02 5.64 -8.294491912e-02 -8.294491912e-02 5.66 -7.926312762e-02 -7.926312762e-02 5.68 -7.567287416e-02 -7.567287416e-02 5.70 -7.216862035e-02 -7.216862035e-02 5.72 -6.874643618e-02 -6.874643618e-02 5.74 -6.540390847e-02 -6.540390847e-02 5.76 -6.213999954e-02 -6.213999954e-02 5.78 -5.895483353e-02 -5.895483353e-02 5.80 -5.584895754e-02 -5.584895754e-02 5.82 -5.282419253e-02 -5.282419253e-02 5.84 -4.988306627e-02 -4.988306627e-02 5.86 -4.702823477e-02 -4.702823477e-02 5.88 -4.426225760e-02 -4.426225760e-02 5.90 -4.158741843e-02 -4.158741843e-02 5.92 -3.900560134e-02 -3.900560134e-02 5.94 -3.651822661e-02 -3.651822661e-02 5.96 -3.412624209e-02 -3.412624209e-02 5.98 -3.183015807e-02 -3.183015807e-02 6.00 -2.963011620e-02 -2.963011620e-02