# 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 = Al2AuCo # 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 1.467403597e+02 1.467403597e+02 1.30 1.360800298e+02 1.360800298e+02 1.32 1.261918538e+02 1.261918538e+02 1.34 1.170138522e+02 1.170138522e+02 1.36 1.084895604e+02 1.084895604e+02 1.38 1.005672795e+02 1.005672795e+02 1.40 9.319968510e+01 9.319968510e+01 1.42 8.634364605e+01 8.634364605e+01 1.44 7.996010784e+01 7.996010784e+01 1.46 7.401394453e+01 7.401394453e+01 1.48 6.847362181e+01 6.847362181e+01 1.50 6.331057478e+01 6.331057478e+01 1.52 5.849843787e+01 5.849843787e+01 1.54 5.401243008e+01 5.401243008e+01 1.56 4.982906588e+01 4.982906588e+01 1.58 4.592612093e+01 4.592612093e+01 1.60 4.228273005e+01 4.228273005e+01 1.62 3.888254802e+01 3.888254802e+01 1.64 3.571853454e+01 3.571853454e+01 1.66 3.277512429e+01 3.277512429e+01 1.68 3.003663509e+01 3.003663509e+01 1.70 2.749022621e+01 2.749022621e+01 1.72 2.512470077e+01 2.512470077e+01 1.74 2.292696906e+01 2.292696906e+01 1.76 2.088470140e+01 2.088470140e+01 1.78 1.898639583e+01 1.898639583e+01 1.80 1.722144624e+01 1.722144624e+01 1.82 1.558019301e+01 1.558019301e+01 1.84 1.405391841e+01 1.405391841e+01 1.86 1.263477697e+01 1.263477697e+01 1.88 1.131567733e+01 1.131567733e+01 1.90 1.009013864e+01 1.009013864e+01 1.92 8.952143125e+00 8.952143125e+00 1.94 7.896009658e+00 7.896009658e+00 1.96 6.916315459e+00 6.916315459e+00 1.98 6.007880673e+00 6.007880673e+00 2.00 5.165801507e+00 5.165801507e+00 2.02 4.385496037e+00 4.385496037e+00 2.04 3.662728912e+00 3.662728912e+00 2.06 2.993599833e+00 2.993599833e+00 2.08 2.374501005e+00 2.374501005e+00 2.10 1.802061638e+00 1.802061638e+00 2.12 1.273099176e+00 1.273099176e+00 2.14 7.845901392e-01 7.845901392e-01 2.16 3.336643504e-01 3.336643504e-01 2.18 -8.238144066e-02 -8.238144066e-02 2.20 -4.660601698e-01 -4.660601698e-01 2.22 -8.196735114e-01 -8.196735114e-01 2.24 -1.145302678e+00 -1.145302678e+00 2.26 -1.444813570e+00 -1.444813570e+00 2.28 -1.719872689e+00 -1.719872689e+00 2.30 -1.971967883e+00 -1.971967883e+00 2.32 -2.202429693e+00 -2.202429693e+00 2.34 -2.412451666e+00 -2.412451666e+00 2.36 -2.603110618e+00 -2.603110618e+00 2.38 -2.775388340e+00 -2.775388340e+00 2.40 -2.930195786e+00 -2.930195786e+00 2.42 -3.068399222e+00 -3.068399222e+00 2.44 -3.190846243e+00 -3.190846243e+00 2.46 -3.298388649e+00 -3.298388649e+00 2.48 -3.391899361e+00 -3.391899361e+00 2.50 -3.472286857e+00 -3.472286857e+00 2.52 -3.540532178e+00 -3.540532178e+00 2.54 -3.597583334e+00 -3.597583334e+00 2.56 -3.644414784e+00 -3.644414784e+00 2.58 -3.682048256e+00 -3.682048256e+00 2.60 -3.711540284e+00 -3.711540284e+00 2.62 -3.733966964e+00 -3.733966964e+00 2.64 -3.750412491e+00 -3.750412491e+00 2.66 -3.761716325e+00 -3.761716325e+00 2.68 -3.768531478e+00 -3.768531478e+00 2.70 -3.771898989e+00 -3.771898989e+00 2.72 -3.773067410e+00 -3.773067410e+00 2.74 -3.771747121e+00 -3.771747121e+00 2.76 -3.767635468e+00 -3.767635468e+00 2.78 -3.760471628e+00 -3.760471628e+00 2.80 -3.750037760e+00 -3.750037760e+00 2.82 -3.736158776e+00 -3.736158776e+00 2.84 -3.718705199e+00 -3.718705199e+00 2.86 -3.697590412e+00 -3.697590412e+00 2.88 -3.672779828e+00 -3.672779828e+00 2.90 -3.644292971e+00 -3.644292971e+00 2.92 -3.612182150e+00 -3.612182150e+00 2.94 -3.576535658e+00 -3.576535658e+00 2.96 -3.537485713e+00 -3.537485713e+00 2.98 -3.495218183e+00 -3.495218183e+00 3.00 -3.449981501e+00 -3.449981501e+00 3.02 -3.402091168e+00 -3.402091168e+00 3.04 -3.351926142e+00 -3.351926142e+00 3.06 -3.299914858e+00 -3.299914858e+00 3.08 -3.246511163e+00 -3.246511163e+00 3.10 -3.192164077e+00 -3.192164077e+00 3.12 -3.137287213e+00 -3.137287213e+00 3.14 -3.082234204e+00 -3.082234204e+00 3.16 -3.027284231e+00 -3.027284231e+00 3.18 -2.972639005e+00 -2.972639005e+00 3.20 -2.918429245e+00 -2.918429245e+00 3.22 -2.864727268e+00 -2.864727268e+00 3.24 -2.811561993e+00 -2.811561993e+00 3.26 -2.758933406e+00 -2.758933406e+00 3.28 -2.706824766e+00 -2.706824766e+00 3.30 -2.655211866e+00 -2.655211866e+00 3.32 -2.604069474e+00 -2.604069474e+00 3.34 -2.553375439e+00 -2.553375439e+00 3.36 -2.503113083e+00 -2.503113083e+00 3.38 -2.453272408e+00 -2.453272408e+00 3.40 -2.403850532e+00 -2.403850532e+00 3.42 -2.354851631e+00 -2.354851631e+00 3.44 -2.306286460e+00 -2.306286460e+00 3.46 -2.258171616e+00 -2.258171616e+00 3.48 -2.210528525e+00 -2.210528525e+00 3.50 -2.163382228e+00 -2.163382228e+00 3.52 -2.116760033e+00 -2.116760033e+00 3.54 -2.070690110e+00 -2.070690110e+00 3.56 -2.025200121e+00 -2.025200121e+00 3.58 -1.980315970e+00 -1.980315970e+00 3.60 -1.936060727e+00 -1.936060727e+00 3.62 -1.892453792e+00 -1.892453792e+00 3.64 -1.849510299e+00 -1.849510299e+00 3.66 -1.807240786e+00 -1.807240786e+00 3.68 -1.765651083e+00 -1.765651083e+00 3.70 -1.724742418e+00 -1.724742418e+00 3.72 -1.684511669e+00 -1.684511669e+00 3.74 -1.644951733e+00 -1.644951733e+00 3.76 -1.606051953e+00 -1.606051953e+00 3.78 -1.567798565e+00 -1.567798565e+00 3.80 -1.530175147e+00 -1.530175147e+00 3.82 -1.493163028e+00 -1.493163028e+00 3.84 -1.456741669e+00 -1.456741669e+00 3.86 -1.420889009e+00 -1.420889009e+00 3.88 -1.385581768e+00 -1.385581768e+00 3.90 -1.350795717e+00 -1.350795717e+00 3.92 -1.316505901e+00 -1.316505901e+00 3.94 -1.282686858e+00 -1.282686858e+00 3.96 -1.249312738e+00 -1.249312738e+00 3.98 -1.216357472e+00 -1.216357472e+00 4.00 -1.183794924e+00 -1.183794924e+00 4.02 -1.151599105e+00 -1.151599105e+00 4.04 -1.119744502e+00 -1.119744502e+00 4.06 -1.088206591e+00 -1.088206591e+00 4.08 -1.056962587e+00 -1.056962587e+00 4.10 -1.025992462e+00 -1.025992462e+00 4.12 -9.952803680e-01 -9.952803680e-01 4.14 -9.648161500e-01 -9.648161500e-01 4.16 -9.345972626e-01 -9.345972626e-01 4.18 -9.046306474e-01 -9.046306474e-01 4.20 -8.749344786e-01 -8.749344786e-01 4.22 -8.455394861e-01 -8.455394861e-01 4.24 -8.164895564e-01 -8.164895564e-01 4.26 -7.878413297e-01 -7.878413297e-01 4.28 -7.596625935e-01 -7.596625935e-01 4.30 -7.320294142e-01 -7.320294142e-01 4.32 -7.050221372e-01 -7.050221372e-01 4.34 -6.787205861e-01 -6.787205861e-01 4.36 -6.531989483e-01 -6.531989483e-01 4.38 -6.285209183e-01 -6.285209183e-01 4.40 -6.047356369e-01 -6.047356369e-01 4.42 -5.818748417e-01 -5.818748417e-01 4.44 -5.599514439e-01 -5.599514439e-01 4.46 -5.389595329e-01 -5.389595329e-01 4.48 -5.188756220e-01 -5.188756220e-01 4.50 -4.996608252e-01 -4.996608252e-01 4.52 -4.812636039e-01 -4.812636039e-01 4.54 -4.636227387e-01 -4.636227387e-01 4.56 -4.466702460e-01 -4.466702460e-01 4.58 -4.303340434e-01 -4.303340434e-01 4.60 -4.145402566e-01 -4.145402566e-01 4.62 -3.992151399e-01 -3.992151399e-01 4.64 -3.842866353e-01 -3.842866353e-01 4.66 -3.696856367e-01 -3.696856367e-01 4.68 -3.553470424e-01 -3.553470424e-01 4.70 -3.412106808e-01 -3.412106808e-01 4.72 -3.272221896e-01 -3.272221896e-01 4.74 -3.133339077e-01 -3.133339077e-01 4.76 -2.995058174e-01 -2.995058174e-01 4.78 -2.857065453e-01 -2.857065453e-01 4.80 -2.719143844e-01 -2.719143844e-01 4.82 -2.581183512e-01 -2.581183512e-01 4.84 -2.443190007e-01 -2.443190007e-01 4.86 -2.305291302e-01 -2.305291302e-01 4.88 -2.167740418e-01 -2.167740418e-01 4.90 -2.030913072e-01 -2.030913072e-01 4.92 -1.895299077e-01 -1.895299077e-01 4.94 -1.761486836e-01 -1.761486836e-01 4.96 -1.630140955e-01 -1.630140955e-01 4.98 -1.501973900e-01 -1.501973900e-01 5.00 -1.377713376e-01 -1.377713376e-01 5.02 -1.258067724e-01 -1.258067724e-01 5.04 -1.143692293e-01 -1.143692293e-01 5.06 -1.035159407e-01 -1.035159407e-01 5.08 -9.329344086e-02 -9.329344086e-02 5.10 -8.373595490e-02 -8.373595490e-02 5.12 -7.486461660e-02 -7.486461660e-02 5.14 -6.668750588e-02 -6.668750588e-02 5.16 -5.920011034e-02 -5.920011034e-02 5.18 -5.238710090e-02 -5.238710090e-02 5.20 -4.622435235e-02 -4.622435235e-02 5.22 -4.068022654e-02 -4.068022654e-02 5.24 -3.571755594e-02 -3.571755594e-02 5.26 -3.129552396e-02 -3.129552396e-02 5.28 -2.737134711e-02 -2.737134711e-02 5.30 -2.390170299e-02 -2.390170299e-02 5.32 -2.084388927e-02 -2.084388927e-02 5.34 -1.815671324e-02 -1.815671324e-02 5.36 -1.580113016e-02 -1.580113016e-02 5.38 -1.374036008e-02 -1.374036008e-02 5.40 -1.194081864e-02 -1.194081864e-02 5.42 -1.037202521e-02 -1.037202521e-02 5.44 -9.006295436e-03 -9.006295436e-03 5.46 -7.818701569e-03 -7.818701569e-03 5.48 -6.786959011e-03 -6.786959011e-03 5.50 -5.891265449e-03 -5.891265449e-03 5.52 -5.114112622e-03 -5.114112622e-03 5.54 -4.440085647e-03 -4.440085647e-03 5.56 -3.855660519e-03 -3.855660519e-03 5.58 -3.349007122e-03 -3.349007122e-03 5.60 -2.909802492e-03 -2.909802492e-03 5.62 -2.529057188e-03 -2.529057188e-03 5.64 -2.198956211e-03 -2.198956211e-03 5.66 -1.912714924e-03 -1.912714924e-03 5.68 -1.664449776e-03 -1.664449776e-03 5.70 -1.449063153e-03 -1.449063153e-03 5.72 -1.262141445e-03 -1.262141445e-03 5.74 -1.099865266e-03 -1.099865266e-03 5.76 -9.589306914e-04 -9.589306914e-04 5.78 -8.364803977e-04 -8.364803977e-04 5.80 -7.300436403e-04 -7.300436403e-04 5.82 -6.374840410e-04 -6.374840410e-04 5.84 -5.569542638e-04 -5.569542638e-04 5.86 -4.868567305e-04 -4.868567305e-04 5.88 -4.258096122e-04 -4.258096122e-04 5.90 -3.726174199e-04 -3.726174199e-04 5.92 -3.262455927e-04 -3.262455927e-04 5.94 -2.857985519e-04 -2.857985519e-04 5.96 -2.505007587e-04 -2.505007587e-04 5.98 -2.196803697e-04 -2.196803697e-04 6.00 -1.927551353e-04 -1.927551353e-04