# 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 = AlAuTi2 # 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 2.415191630e+02 2.415191630e+02 1.30 2.243369692e+02 2.243369692e+02 1.32 2.084044411e+02 2.084044411e+02 1.34 1.936246174e+02 1.936246174e+02 1.36 1.799065482e+02 1.799065482e+02 1.38 1.671657218e+02 1.671657218e+02 1.40 1.553253443e+02 1.553253443e+02 1.42 1.443165018e+02 1.443165018e+02 1.44 1.340769944e+02 1.340769944e+02 1.46 1.245496660e+02 1.245496660e+02 1.48 1.156812344e+02 1.156812344e+02 1.50 1.074221942e+02 1.074221942e+02 1.52 9.972730594e+01 9.972730594e+01 1.54 9.255571966e+01 9.255571966e+01 1.56 8.587038694e+01 8.587038694e+01 1.58 7.963710968e+01 7.963710968e+01 1.60 7.382376824e+01 7.382376824e+01 1.62 6.840000279e+01 6.840000279e+01 1.64 6.333722103e+01 6.333722103e+01 1.66 5.860869024e+01 5.860869024e+01 1.68 5.418967596e+01 5.418967596e+01 1.70 5.005765491e+01 5.005765491e+01 1.72 4.619242624e+01 4.619242624e+01 1.74 4.257588749e+01 4.257588749e+01 1.76 3.919153342e+01 3.919153342e+01 1.78 3.602407206e+01 3.602407206e+01 1.80 3.306295712e+01 3.306295712e+01 1.82 3.030226940e+01 3.030226940e+01 1.84 2.772947187e+01 2.772947187e+01 1.86 2.533272390e+01 2.533272390e+01 1.88 2.310025271e+01 2.310025271e+01 1.90 2.102141488e+01 2.102141488e+01 1.92 1.908656542e+01 1.908656542e+01 1.94 1.728682513e+01 1.728682513e+01 1.96 1.561379064e+01 1.561379064e+01 1.98 1.405929313e+01 1.405929313e+01 2.00 1.261531390e+01 1.261531390e+01 2.02 1.127406882e+01 1.127406882e+01 2.04 1.002817087e+01 1.002817087e+01 2.06 8.870762704e+00 8.870762704e+00 2.08 7.795571777e+00 7.795571777e+00 2.10 6.796898736e+00 6.796898736e+00 2.12 5.869563807e+00 5.869563807e+00 2.14 5.008832317e+00 5.008832317e+00 2.16 4.210336338e+00 4.210336338e+00 2.18 3.470006810e+00 3.470006810e+00 2.20 2.784023853e+00 2.784023853e+00 2.22 2.148785297e+00 2.148785297e+00 2.24 1.560892854e+00 1.560892854e+00 2.26 1.017154366e+00 1.017154366e+00 2.28 5.145967374e-01 5.145967374e-01 2.30 5.047930662e-02 5.047930662e-02 2.32 -3.777055960e-01 -3.777055960e-01 2.34 -7.722478169e-01 -7.722478169e-01 2.36 -1.135244968e+00 -1.135244968e+00 2.38 -1.468629580e+00 -1.468629580e+00 2.40 -1.774193357e+00 -1.774193357e+00 2.42 -2.053608875e+00 -2.053608875e+00 2.44 -2.308450081e+00 -2.308450081e+00 2.46 -2.540212909e+00 -2.540212909e+00 2.48 -2.750335093e+00 -2.750335093e+00 2.50 -2.940213933e+00 -2.940213933e+00 2.52 -3.111220199e+00 -3.111220199e+00 2.54 -3.264706609e+00 -3.264706609e+00 2.56 -3.402009726e+00 -3.402009726e+00 2.58 -3.524444206e+00 -3.524444206e+00 2.60 -3.633288345e+00 -3.633288345e+00 2.62 -3.729760937e+00 -3.729760937e+00 2.64 -3.814992821e+00 -3.814992821e+00 2.66 -3.890049498e+00 -3.890049498e+00 2.68 -3.955869816e+00 -3.955869816e+00 2.70 -4.013088495e+00 -4.013088495e+00 2.72 -4.062244413e+00 -4.062244413e+00 2.74 -4.103803538e+00 -4.103803538e+00 2.76 -4.138177090e+00 -4.138177090e+00 2.78 -4.165738589e+00 -4.165738589e+00 2.80 -4.186837553e+00 -4.186837553e+00 2.82 -4.201799708e+00 -4.201799708e+00 2.84 -4.210820887e+00 -4.210820887e+00 2.86 -4.214032903e+00 -4.214032903e+00 2.88 -4.211974632e+00 -4.211974632e+00 2.90 -4.205313406e+00 -4.205313406e+00 2.92 -4.193970302e+00 -4.193970302e+00 2.94 -4.177929412e+00 -4.177929412e+00 2.96 -4.157244648e+00 -4.157244648e+00 2.98 -4.132034564e+00 -4.132034564e+00 3.00 -4.102480348e+00 -4.102480348e+00 3.02 -4.068824286e+00 -4.068824286e+00 3.04 -4.031369049e+00 -4.031369049e+00 3.06 -3.990476503e+00 -3.990476503e+00 3.08 -3.946531985e+00 -3.946531985e+00 3.10 -3.899922958e+00 -3.899922958e+00 3.12 -3.851018776e+00 -3.851018776e+00 3.14 -3.800154000e+00 -3.800154000e+00 3.16 -3.747618258e+00 -3.747618258e+00 3.18 -3.693654179e+00 -3.693654179e+00 3.20 -3.638460848e+00 -3.638460848e+00 3.22 -3.582200759e+00 -3.582200759e+00 3.24 -3.525007917e+00 -3.525007917e+00 3.26 -3.466995458e+00 -3.466995458e+00 3.28 -3.408261955e+00 -3.408261955e+00 3.30 -3.348896172e+00 -3.348896172e+00 3.32 -3.288980466e+00 -3.288980466e+00 3.34 -3.228593175e+00 -3.228593175e+00 3.36 -3.167810391e+00 -3.167810391e+00 3.38 -3.106707452e+00 -3.106707452e+00 3.40 -3.045360397e+00 -3.045360397e+00 3.42 -2.983847684e+00 -2.983847684e+00 3.44 -2.922251791e+00 -2.922251791e+00 3.46 -2.860661158e+00 -2.860661158e+00 3.48 -2.799171716e+00 -2.799171716e+00 3.50 -2.737887762e+00 -2.737887762e+00 3.52 -2.676921608e+00 -2.676921608e+00 3.54 -2.616391545e+00 -2.616391545e+00 3.56 -2.556417984e+00 -2.556417984e+00 3.58 -2.497118063e+00 -2.497118063e+00 3.60 -2.438599544e+00 -2.438599544e+00 3.62 -2.380955129e+00 -2.380955129e+00 3.64 -2.324258294e+00 -2.324258294e+00 3.66 -2.268561321e+00 -2.268561321e+00 3.68 -2.213895655e+00 -2.213895655e+00 3.70 -2.160274139e+00 -2.160274139e+00 3.72 -2.107694406e+00 -2.107694406e+00 3.74 -2.056142660e+00 -2.056142660e+00 3.76 -2.005597250e+00 -2.005597250e+00 3.78 -1.956031689e+00 -1.956031689e+00 3.80 -1.907416994e+00 -1.907416994e+00 3.82 -1.859723374e+00 -1.859723374e+00 3.84 -1.812921374e+00 -1.812921374e+00 3.86 -1.766982599e+00 -1.766982599e+00 3.88 -1.721880151e+00 -1.721880151e+00 3.90 -1.677588841e+00 -1.677588841e+00 3.92 -1.634085220e+00 -1.634085220e+00 3.94 -1.591347739e+00 -1.591347739e+00 3.96 -1.549356329e+00 -1.549356329e+00 3.98 -1.508092448e+00 -1.508092448e+00 4.00 -1.467538839e+00 -1.467538839e+00 4.02 -1.427679338e+00 -1.427679338e+00 4.04 -1.388498733e+00 -1.388498733e+00 4.06 -1.349982708e+00 -1.349982708e+00 4.08 -1.312117918e+00 -1.312117918e+00 4.10 -1.274892081e+00 -1.274892081e+00 4.12 -1.238294934e+00 -1.238294934e+00 4.14 -1.202317950e+00 -1.202317950e+00 4.16 -1.166955666e+00 -1.166955666e+00 4.18 -1.132206309e+00 -1.132206309e+00 4.20 -1.098072578e+00 -1.098072578e+00 4.22 -1.064562268e+00 -1.064562268e+00 4.24 -1.031688617e+00 -1.031688617e+00 4.26 -9.994702271e-01 -9.994702271e-01 4.28 -9.679304702e-01 -9.679304702e-01 4.30 -9.370963171e-01 -9.370963171e-01 4.32 -9.069966423e-01 -9.069966423e-01 4.34 -8.776601225e-01 -8.776601225e-01 4.36 -8.491129346e-01 -8.491129346e-01 4.38 -8.213765037e-01 -8.213765037e-01 4.40 -7.944655528e-01 -7.944655528e-01 4.42 -7.683866601e-01 -7.683866601e-01 4.44 -7.431374488e-01 -7.431374488e-01 4.46 -7.187064368e-01 -7.187064368e-01 4.48 -6.950734840e-01 -6.950734840e-01 4.50 -6.722107094e-01 -6.722107094e-01 4.52 -6.500837144e-01 -6.500837144e-01 4.54 -6.286529538e-01 -6.286529538e-01 4.56 -6.078751158e-01 -6.078751158e-01 4.58 -5.877044131e-01 -5.877044131e-01 4.60 -5.680937284e-01 -5.680937284e-01 4.62 -5.489955959e-01 -5.489955959e-01 4.64 -5.303630302e-01 -5.303630302e-01 4.66 -5.121502325e-01 -5.121502325e-01 4.68 -4.943132168e-01 -4.943132168e-01 4.70 -4.768104008e-01 -4.768104008e-01 4.72 -4.596032017e-01 -4.596032017e-01 4.74 -4.426566702e-01 -4.426566702e-01 4.76 -4.259401840e-01 -4.259401840e-01 4.78 -4.094282048e-01 -4.094282048e-01 4.80 -3.931009990e-01 -3.931009990e-01 4.82 -3.769458188e-01 -3.769458188e-01 4.84 -3.609571232e-01 -3.609571232e-01 4.86 -3.451376358e-01 -3.451376358e-01 4.88 -3.294986993e-01 -3.294986993e-01 4.90 -3.140604271e-01 -3.140604271e-01 4.92 -2.988514514e-01 -2.988514514e-01 4.94 -2.839081963e-01 -2.839081963e-01 4.96 -2.692736351e-01 -2.692736351e-01 4.98 -2.549955440e-01 -2.549955440e-01 5.00 -2.411243255e-01 -2.411243255e-01 5.02 -2.277105332e-01 -2.277105332e-01 5.04 -2.148022812e-01 -2.148022812e-01 5.06 -2.024427503e-01 -2.024427503e-01 5.08 -1.906680026e-01 -1.906680026e-01 5.10 -1.795052859e-01 -1.795052859e-01 5.12 -1.689719522e-01 -1.689719522e-01 5.14 -1.590750417e-01 -1.590750417e-01 5.16 -1.498115080e-01 -1.498115080e-01 5.18 -1.411689954e-01 -1.411689954e-01 5.20 -1.331270341e-01 -1.331270341e-01 5.22 -1.256584998e-01 -1.256584998e-01 5.24 -1.187311863e-01 -1.187311863e-01 5.26 -1.123093569e-01 -1.123093569e-01 5.28 -1.063551779e-01 -1.063551779e-01 5.30 -1.008299702e-01 -1.008299702e-01 5.32 -9.569524092e-02 -9.569524092e-02 5.34 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