# 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 = AlCoCu2 # 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 9.667597311e+01 9.667597311e+01 1.30 8.895357347e+01 8.895357347e+01 1.32 8.182584204e+01 8.182584204e+01 1.34 7.524376370e+01 7.524376370e+01 1.36 6.916332926e+01 6.916332926e+01 1.38 6.354570438e+01 6.354570438e+01 1.40 5.835621519e+01 5.835621519e+01 1.42 5.356288027e+01 5.356288027e+01 1.44 4.913488442e+01 4.913488442e+01 1.46 4.504173151e+01 4.504173151e+01 1.48 4.125385442e+01 4.125385442e+01 1.50 3.774427804e+01 3.774427804e+01 1.52 3.448983653e+01 3.448983653e+01 1.54 3.147100479e+01 3.147100479e+01 1.56 2.867127517e+01 2.867127517e+01 1.58 2.607578580e+01 2.607578580e+01 1.60 2.367181860e+01 2.367181860e+01 1.62 2.144648476e+01 2.144648476e+01 1.64 1.938731444e+01 1.938731444e+01 1.66 1.748261270e+01 1.748261270e+01 1.68 1.572128476e+01 1.572128476e+01 1.70 1.409286523e+01 1.409286523e+01 1.72 1.258760298e+01 1.258760298e+01 1.74 1.119643577e+01 1.119643577e+01 1.76 9.910904477e+00 9.910904477e+00 1.78 8.723141135e+00 8.723141135e+00 1.80 7.625950077e+00 7.625950077e+00 1.82 6.612883689e+00 6.612883689e+00 1.84 5.678215042e+00 5.678215042e+00 1.86 4.816792106e+00 4.816792106e+00 1.88 4.023827084e+00 4.023827084e+00 1.90 3.294690344e+00 3.294690344e+00 1.92 2.624766587e+00 2.624766587e+00 1.94 2.009415241e+00 2.009415241e+00 1.96 1.444049385e+00 1.444049385e+00 1.98 9.243043494e-01 9.243043494e-01 2.00 4.462295055e-01 4.462295055e-01 2.02 6.427092310e-03 6.427092310e-03 2.04 -3.979160787e-01 -3.979160787e-01 2.06 -7.691109534e-01 -7.691109534e-01 2.08 -1.109119347e+00 -1.109119347e+00 2.10 -1.419713615e+00 -1.419713615e+00 2.12 -1.702595531e+00 -1.702595531e+00 2.14 -1.959459365e+00 -1.959459365e+00 2.16 -2.192007819e+00 -2.192007819e+00 2.18 -2.401938110e+00 -2.401938110e+00 2.20 -2.590914723e+00 -2.590914723e+00 2.22 -2.760541391e+00 -2.760541391e+00 2.24 -2.912340257e+00 -2.912340257e+00 2.26 -3.047742170e+00 -3.047742170e+00 2.28 -3.168087988e+00 -3.168087988e+00 2.30 -3.274635264e+00 -3.274635264e+00 2.32 -3.368560250e+00 -3.368560250e+00 2.34 -3.450946467e+00 -3.450946467e+00 2.36 -3.522765069e+00 -3.522765069e+00 2.38 -3.584888872e+00 -3.584888872e+00 2.40 -3.637969681e+00 -3.637969681e+00 2.42 -3.682518905e+00 -3.682518905e+00 2.44 -3.718971903e+00 -3.718971903e+00 2.46 -3.747730828e+00 -3.747730828e+00 2.48 -3.769202948e+00 -3.769202948e+00 2.50 -3.783827399e+00 -3.783827399e+00 2.52 -3.792623248e+00 -3.792623248e+00 2.54 -3.796756297e+00 -3.796756297e+00 2.56 -3.796227766e+00 -3.796227766e+00 2.58 -3.790883498e+00 -3.790883498e+00 2.60 -3.780743096e+00 -3.780743096e+00 2.62 -3.765962182e+00 -3.765962182e+00 2.64 -3.746791111e+00 -3.746791111e+00 2.66 -3.723534390e+00 -3.723534390e+00 2.68 -3.696525173e+00 -3.696525173e+00 2.70 -3.666153347e+00 -3.666153347e+00 2.72 -3.632806406e+00 -3.632806406e+00 2.74 -3.596824767e+00 -3.596824767e+00 2.76 -3.558498379e+00 -3.558498379e+00 2.78 -3.518063843e+00 -3.518063843e+00 2.80 -3.475703128e+00 -3.475703128e+00 2.82 -3.431546392e+00 -3.431546392e+00 2.84 -3.385680111e+00 -3.385680111e+00 2.86 -3.338159514e+00 -3.338159514e+00 2.88 -3.289023185e+00 -3.289023185e+00 2.90 -3.238307704e+00 -3.238307704e+00 2.92 -3.186060978e+00 -3.186060978e+00 2.94 -3.132353786e+00 -3.132353786e+00 2.96 -3.077289419e+00 -3.077289419e+00 2.98 -3.021011103e+00 -3.021011103e+00 3.00 -2.963706264e+00 -2.963706264e+00 3.02 -2.905606074e+00 -2.905606074e+00 3.04 -2.846978723e+00 -2.846978723e+00 3.06 -2.788115846e+00 -2.788115846e+00 3.08 -2.729313191e+00 -2.729313191e+00 3.10 -2.670848858e+00 -2.670848858e+00 3.12 -2.612963220e+00 -2.612963220e+00 3.14 -2.555844509e+00 -2.555844509e+00 3.16 -2.499622126e+00 -2.499622126e+00 3.18 -2.444367817e+00 -2.444367817e+00 3.20 -2.390102906e+00 -2.390102906e+00 3.22 -2.336809114e+00 -2.336809114e+00 3.24 -2.284440561e+00 -2.284440561e+00 3.26 -2.232935151e+00 -2.232935151e+00 3.28 -2.182224311e+00 -2.182224311e+00 3.30 -2.132240657e+00 -2.132240657e+00 3.32 -2.082923563e+00 -2.082923563e+00 3.34 -2.034222801e+00 -2.034222801e+00 3.36 -1.986100525e+00 -1.986100525e+00 3.38 -1.938531854e+00 -1.938531854e+00 3.40 -1.891504319e+00 -1.891504319e+00 3.42 -1.845016462e+00 -1.845016462e+00 3.44 -1.799075815e+00 -1.799075815e+00 3.46 -1.753696544e+00 -1.753696544e+00 3.48 -1.708896990e+00 -1.708896990e+00 3.50 -1.664697302e+00 -1.664697302e+00 3.52 -1.621117334e+00 -1.621117334e+00 3.54 -1.578174935e+00 -1.578174935e+00 3.56 -1.535884686e+00 -1.535884686e+00 3.58 -1.494257140e+00 -1.494257140e+00 3.60 -1.453298561e+00 -1.453298561e+00 3.62 -1.413011161e+00 -1.413011161e+00 3.64 -1.373393798e+00 -1.373393798e+00 3.66 -1.334443083e+00 -1.334443083e+00 3.68 -1.296154835e+00 -1.296154835e+00 3.70 -1.258525766e+00 -1.258525766e+00 3.72 -1.221555249e+00 -1.221555249e+00 3.74 -1.185246969e+00 -1.185246969e+00 3.76 -1.149610221e+00 -1.149610221e+00 3.78 -1.114660596e+00 -1.114660596e+00 3.80 -1.080419826e+00 -1.080419826e+00 3.82 -1.046914650e+00 -1.046914650e+00 3.84 -1.014174697e+00 -1.014174697e+00 3.86 -9.822295619e-01 -9.822295619e-01 3.88 -9.511054139e-01 -9.511054139e-01 3.90 -9.208216209e-01 -9.208216209e-01 3.92 -8.913878510e-01 -8.913878510e-01 3.94 -8.628020751e-01 -8.628020751e-01 3.96 -8.350496477e-01 -8.350496477e-01 3.98 -8.081035510e-01 -8.081035510e-01 4.00 -7.819256008e-01 -7.819256008e-01 4.02 -7.564683685e-01 -7.564683685e-01 4.04 -7.316775201e-01 -7.316775201e-01 4.06 -7.074943107e-01 -7.074943107e-01 4.08 -6.838580476e-01 -6.838580476e-01 4.10 -6.607084114e-01 -6.607084114e-01 4.12 -6.379876541e-01 -6.379876541e-01 4.14 -6.156425462e-01 -6.156425462e-01 4.16 -5.936262813e-01 -5.936262813e-01 4.18 -5.719001961e-01 -5.719001961e-01 4.20 -5.504353355e-01 -5.504353355e-01 4.22 -5.292137782e-01 -5.292137782e-01 4.24 -5.082296137e-01 -5.082296137e-01 4.26 -4.874894453e-01 -4.874894453e-01 4.28 -4.670123030e-01 -4.670123030e-01 4.30 -4.468288940e-01 -4.468288940e-01 4.32 -4.269801847e-01 -4.269801847e-01 4.34 -4.075153791e-01 -4.075153791e-01 4.36 -3.884894240e-01 -3.884894240e-01 4.38 -3.699602059e-01 -3.699602059e-01 4.40 -3.519856158e-01 -3.519856158e-01 4.42 -3.346206406e-01 -3.346206406e-01 4.44 -3.179146243e-01 -3.179146243e-01 4.46 -3.019088208e-01 -3.019088208e-01 4.48 -2.866343566e-01 -2.866343566e-01 4.50 -2.721107123e-01 -2.721107123e-01 4.52 -2.583448152e-01 -2.583448152e-01 4.54 -2.453308029e-01 -2.453308029e-01 4.56 -2.330504618e-01 -2.330504618e-01 4.58 -2.214742860e-01 -2.214742860e-01 4.60 -2.105630532e-01 -2.105630532e-01 4.62 -2.002697432e-01 -2.002697432e-01 4.64 -1.905416521e-01 -1.905416521e-01 4.66 -1.813225389e-01 -1.813225389e-01 4.68 -1.725547069e-01 -1.725547069e-01 4.70 -1.641808940e-01 -1.641808940e-01 4.72 -1.561457958e-01 -1.561457958e-01 4.74 -1.483976709e-01 -1.483976709e-01 4.76 -1.408898732e-01 -1.408898732e-01 4.78 -1.335813464e-01 -1.335813464e-01 4.80 -1.264378706e-01 -1.264378706e-01 4.82 -1.194324289e-01 -1.194324289e-01 4.84 -1.125456790e-01 -1.125456790e-01 4.86 -1.057662834e-01 -1.057662834e-01 4.88 -9.909093573e-02 -9.909093573e-02 4.90 -9.252408769e-02 -9.252408769e-02 4.92 -8.607733746e-02 -8.607733746e-02 4.94 -7.976846707e-02 -7.976846707e-02 4.96 -7.362014726e-02 -7.362014726e-02 4.98 -6.765836728e-02 -6.765836728e-02 5.00 -6.191068571e-02 -6.191068571e-02 5.02 -5.640442878e-02 -5.640442878e-02 5.04 -5.116497633e-02 -5.116497633e-02 5.06 -4.621426965e-02 -4.621426965e-02 5.08 -4.156964931e-02 -4.156964931e-02 5.10 -3.724309065e-02 -3.724309065e-02 5.12 -3.324085760e-02 -3.324085760e-02 5.14 -2.956355069e-02 -2.956355069e-02 5.16 -2.620648909e-02 -2.620648909e-02 5.18 -2.316034474e-02 -2.316034474e-02 5.20 -2.041193647e-02 -2.041193647e-02 5.22 -1.794509802e-02 -1.794509802e-02 5.24 -1.574154787e-02 -1.574154787e-02 5.26 -1.378170072e-02 -1.378170072e-02 5.28 -1.204532879e-02 -1.204532879e-02 5.30 -1.051198761e-02 -1.051198761e-02 5.32 -9.162198963e-03 -9.162198963e-03 5.34 -7.977310010e-03 -7.977310010e-03 5.36 -6.939684286e-03 -6.939684286e-03 5.38 -6.032895918e-03 -6.032895918e-03 5.40 -5.241835766e-03 -5.241835766e-03 5.42 -4.552749180e-03 -4.552749180e-03 5.44 -3.953222873e-03 -3.953222873e-03 5.46 -3.432135700e-03 -3.432135700e-03 5.48 -2.979585422e-03 -2.979585422e-03 5.50 -2.586800944e-03 -2.586800944e-03 5.52 -2.246047241e-03 -2.246047241e-03 5.54 -1.950528289e-03 -1.950528289e-03 5.56 -1.694291755e-03 -1.694291755e-03 5.58 -1.472137949e-03 -1.472137949e-03 5.60 -1.279534638e-03 -1.279534638e-03 5.62 -1.112538584e-03 -1.112538584e-03 5.64 -9.677241618e-04 -9.677241618e-04 5.66 -8.421190737e-04 -8.421190737e-04 5.68 -7.331469035e-04 -7.331469035e-04 5.70 -6.385761302e-04 -6.385761302e-04 5.72 -5.564751149e-04 -5.564751149e-04 5.74 -4.851725388e-04 -4.851725388e-04 5.76 -4.232227609e-04 -4.232227609e-04 5.78 -3.693755775e-04 -3.693755775e-04 5.80 -3.225498898e-04 -3.225498898e-04 5.82 -2.818108248e-04 -2.818108248e-04 5.84 -2.463498884e-04 -2.463498884e-04 5.86 -2.154677751e-04 -2.154677751e-04 5.88 -1.885594946e-04 -1.885594946e-04 5.90 -1.651015147e-04 -1.651015147e-04 5.92 -1.446406556e-04 -1.446406556e-04 5.94 -1.267845015e-04 -1.267845015e-04 5.96 -1.111931255e-04 -1.111931255e-04 5.98 -9.757195036e-05 -9.757195036e-05 6.00 -8.566558923e-05 -8.566558923e-05