# 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 = AlAu2Mo # 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 2.772033464e+02 2.772033464e+02 1.30 2.575126131e+02 2.575126131e+02 1.32 2.392288285e+02 2.392288285e+02 1.34 2.222430510e+02 2.222430510e+02 1.36 2.064596124e+02 2.064596124e+02 1.38 1.917920393e+02 1.917920393e+02 1.40 1.781597134e+02 1.781597134e+02 1.42 1.654859802e+02 1.654859802e+02 1.44 1.536979996e+02 1.536979996e+02 1.46 1.427276575e+02 1.427276575e+02 1.48 1.325122208e+02 1.325122208e+02 1.50 1.229940963e+02 1.229940963e+02 1.52 1.141201891e+02 1.141201891e+02 1.54 1.058415040e+02 1.058415040e+02 1.56 9.811297537e+01 9.811297537e+01 1.58 9.089322877e+01 9.089322877e+01 1.60 8.414424936e+01 8.414424936e+01 1.62 7.783111538e+01 7.783111538e+01 1.64 7.192186809e+01 7.192186809e+01 1.66 6.638743502e+01 6.638743502e+01 1.68 6.120147130e+01 6.120147130e+01 1.70 5.634009530e+01 5.634009530e+01 1.72 5.178166245e+01 5.178166245e+01 1.74 4.750670948e+01 4.750670948e+01 1.76 4.350994336e+01 4.350994336e+01 1.78 3.979537518e+01 3.979537518e+01 1.80 3.634712446e+01 3.634712446e+01 1.82 3.315102275e+01 3.315102275e+01 1.84 3.019177018e+01 3.019177018e+01 1.86 2.745401820e+01 2.745401820e+01 1.88 2.492265641e+01 2.492265641e+01 1.90 2.258297857e+01 2.258297857e+01 1.92 2.042088778e+01 2.042088778e+01 1.94 1.842306617e+01 1.842306617e+01 1.96 1.657707812e+01 1.657707812e+01 1.98 1.487140286e+01 1.487140286e+01 2.00 1.329540181e+01 1.329540181e+01 2.02 1.183923619e+01 1.183923619e+01 2.04 1.049376434e+01 1.049376434e+01 2.06 9.250451468e+00 9.250451468e+00 2.08 8.101311212e+00 8.101311212e+00 2.10 7.038881535e+00 7.038881535e+00 2.12 6.056227171e+00 6.056227171e+00 2.14 5.146956367e+00 5.146956367e+00 2.16 4.305237812e+00 4.305237812e+00 2.18 3.525805253e+00 3.525805253e+00 2.20 2.803942467e+00 2.803942467e+00 2.22 2.135447950e+00 2.135447950e+00 2.24 1.516583980e+00 1.516583980e+00 2.26 9.440172992e-01 9.440172992e-01 2.28 4.147587244e-01 4.147587244e-01 2.30 -7.389259227e-02 -7.389259227e-02 2.32 -5.243973132e-01 -5.243973132e-01 2.34 -9.390160061e-01 -9.390160061e-01 2.36 -1.319842529e+00 -1.319842529e+00 2.38 -1.668832634e+00 -1.668832634e+00 2.40 -1.987829268e+00 -1.987829268e+00 2.42 -2.278585125e+00 -2.278585125e+00 2.44 -2.542781930e+00 -2.542781930e+00 2.46 -2.782045254e+00 -2.782045254e+00 2.48 -2.997953489e+00 -2.997953489e+00 2.50 -3.192040533e+00 -3.192040533e+00 2.52 -3.365710787e+00 -3.365710787e+00 2.54 -3.520365072e+00 -3.520365072e+00 2.56 -3.657523285e+00 -3.657523285e+00 2.58 -3.778627954e+00 -3.778627954e+00 2.60 -3.885043481e+00 -3.885043481e+00 2.62 -3.978052522e+00 -3.978052522e+00 2.64 -4.058845083e+00 -4.058845083e+00 2.66 -4.128502815e+00 -4.128502815e+00 2.68 -4.187960264e+00 -4.187960264e+00 2.70 -4.237882696e+00 -4.237882696e+00 2.72 -4.278805108e+00 -4.278805108e+00 2.74 -4.311205671e+00 -4.311205671e+00 2.76 -4.335514627e+00 -4.335514627e+00 2.78 -4.352173728e+00 -4.352173728e+00 2.80 -4.362306531e+00 -4.362306531e+00 2.82 -4.366438952e+00 -4.366438952e+00 2.84 -4.364381105e+00 -4.364381105e+00 2.86 -4.356013313e+00 -4.356013313e+00 2.88 -4.341275596e+00 -4.341275596e+00 2.90 -4.320162700e+00 -4.320162700e+00 2.92 -4.292726036e+00 -4.292726036e+00 2.94 -4.259103012e+00 -4.259103012e+00 2.96 -4.219512059e+00 -4.219512059e+00 2.98 -4.174226590e+00 -4.174226590e+00 3.00 -4.123589147e+00 -4.123589147e+00 3.02 -4.068013992e+00 -4.068013992e+00 3.04 -4.007979176e+00 -4.007979176e+00 3.06 -3.944010109e+00 -3.944010109e+00 3.08 -3.876655234e+00 -3.876655234e+00 3.10 -3.806457014e+00 -3.806457014e+00 3.12 -3.733922860e+00 -3.733922860e+00 3.14 -3.659501233e+00 -3.659501233e+00 3.16 -3.583566737e+00 -3.583566737e+00 3.18 -3.506415857e+00 -3.506415857e+00 3.20 -3.428272336e+00 -3.428272336e+00 3.22 -3.349299653e+00 -3.349299653e+00 3.24 -3.269617430e+00 -3.269617430e+00 3.26 -3.189318950e+00 -3.189318950e+00 3.28 -3.108487753e+00 -3.108487753e+00 3.30 -3.027212061e+00 -3.027212061e+00 3.32 -2.945596398e+00 -2.945596398e+00 3.34 -2.863770093e+00 -2.863770093e+00 3.36 -2.781892498e+00 -2.781892498e+00 3.38 -2.700154836e+00 -2.700154836e+00 3.40 -2.618778658e+00 -2.618778658e+00 3.42 -2.538011063e+00 -2.538011063e+00 3.44 -2.458117044e+00 -2.458117044e+00 3.46 -2.379369646e+00 -2.379369646e+00 3.48 -2.302038816e+00 -2.302038816e+00 3.50 -2.226380039e+00 -2.226380039e+00 3.52 -2.152623854e+00 -2.152623854e+00 3.54 -2.080967194e+00 -2.080967194e+00 3.56 -2.011567259e+00 -2.011567259e+00 3.58 -1.944538224e+00 -1.944538224e+00 3.60 -1.879950768e+00 -1.879950768e+00 3.62 -1.817834071e+00 -1.817834071e+00 3.64 -1.758179739e+00 -1.758179739e+00 3.66 -1.700947005e+00 -1.700947005e+00 3.68 -1.646068580e+00 -1.646068580e+00 3.70 -1.593456598e+00 -1.593456598e+00 3.72 -1.543008251e+00 -1.543008251e+00 3.74 -1.494610820e+00 -1.494610820e+00 3.76 -1.448145973e+00 -1.448145973e+00 3.78 -1.403493266e+00 -1.403493266e+00 3.80 -1.360532908e+00 -1.360532908e+00 3.82 -1.319147836e+00 -1.319147836e+00 3.84 -1.279225229e+00 -1.279225229e+00 3.86 -1.240657533e+00 -1.240657533e+00 3.88 -1.203343115e+00 -1.203343115e+00 3.90 -1.167186603e+00 -1.167186603e+00 3.92 -1.132098988e+00 -1.132098988e+00 3.94 -1.097997567e+00 -1.097997567e+00 3.96 -1.064805707e+00 -1.064805707e+00 3.98 -1.032452573e+00 -1.032452573e+00 4.00 -1.000872807e+00 -1.000872807e+00 4.02 -9.700062374e-01 -9.700062374e-01 4.04 -9.397976790e-01 -9.397976790e-01 4.06 -9.101968723e-01 -9.101968723e-01 4.08 -8.811586194e-01 -8.811586194e-01 4.10 -8.526431352e-01 -8.526431352e-01 4.12 -8.246166969e-01 -8.246166969e-01 4.14 -7.970523943e-01 -7.970523943e-01 4.16 -7.699311628e-01 -7.699311628e-01 4.18 -7.432428068e-01 -7.432428068e-01 4.20 -7.169869407e-01 -7.169869407e-01 4.22 -6.911736469e-01 -6.911736469e-01 4.24 -6.658236462e-01 -6.658236462e-01 4.26 -6.409677911e-01 -6.409677911e-01 4.28 -6.166457447e-01 -6.166457447e-01 4.30 -5.929038025e-01 -5.929038025e-01 4.32 -5.697919411e-01 -5.697919411e-01 4.34 -5.473603089e-01 -5.473603089e-01 4.36 -5.256554890e-01 -5.256554890e-01 4.38 -5.047169258e-01 -5.047169258e-01 4.40 -4.845738986e-01 -4.845738986e-01 4.42 -4.652433468e-01 -4.652433468e-01 4.44 -4.467287219e-01 -4.467287219e-01 4.46 -4.290198883e-01 -4.290198883e-01 4.48 -4.120939574e-01 -4.120939574e-01 4.50 -3.959168394e-01 -3.959168394e-01 4.52 -3.804452552e-01 -3.804452552e-01 4.54 -3.656289478e-01 -3.656289478e-01 4.56 -3.514128797e-01 -3.514128797e-01 4.58 -3.377392596e-01 -3.377392596e-01 4.60 -3.245493099e-01 -3.245493099e-01 4.62 -3.117847424e-01 -3.117847424e-01 4.64 -2.993889570e-01 -2.993889570e-01 4.66 -2.873080057e-01 -2.873080057e-01 4.68 -2.754913810e-01 -2.754913810e-01 4.70 -2.638926895e-01 -2.638926895e-01 4.72 -2.524702676e-01 -2.524702676e-01 4.74 -2.411877829e-01 -2.411877829e-01 4.76 -2.300148472e-01 -2.300148472e-01 4.78 -2.189276504e-01 -2.189276504e-01 4.80 -2.079095907e-01 -2.079095907e-01 4.82 -1.969519047e-01 -1.969519047e-01 4.84 -1.860541367e-01 -1.860541367e-01 4.86 -1.752245093e-01 -1.752245093e-01 4.88 -1.644800030e-01 -1.644800030e-01 4.90 -1.538461045e-01 -1.538461045e-01 4.92 -1.433561459e-01 -1.433561459e-01 4.94 -1.330501935e-01 -1.330501935e-01 4.96 -1.229734907e-01 -1.229734907e-01 4.98 -1.131745068e-01 -1.131745068e-01 5.00 -1.037027027e-01 -1.037027027e-01 5.02 -9.460616089e-02 -9.460616089e-02 5.04 -8.592927051e-02 -8.592927051e-02 5.06 -7.771064571e-02 -7.771064571e-02 5.08 -6.998143168e-02 -6.998143168e-02 5.10 -6.276413452e-02 -6.276413452e-02 5.12 -5.607201528e-02 -5.607201528e-02 5.14 -4.990907136e-02 -4.990907136e-02 5.16 -4.427053788e-02 -4.427053788e-02 5.18 -3.914378915e-02 -3.914378915e-02 5.20 -3.450950213e-02 -3.450950213e-02 5.22 -3.034263170e-02 -3.034263170e-02 5.24 -2.661480533e-02 -2.661480533e-02 5.26 -2.329513721e-02 -2.329513721e-02 5.28 -2.035088506e-02 -2.035088506e-02 5.30 -1.774940188e-02 -1.774940188e-02 5.32 -1.545857099e-02 -1.545857099e-02 5.34 -1.344730257e-02 -1.344730257e-02 5.36 -1.168606601e-02 -1.168606601e-02 5.38 -1.014724512e-02 -1.014724512e-02 5.40 -8.805346083e-03 -8.805346083e-03 5.42 -7.637088304e-03 -7.637088304e-03 5.44 -6.621405918e-03 -6.621405918e-03 5.46 -5.739384164e-03 -5.739384164e-03 5.48 -4.974151019e-03 -4.974151019e-03 5.50 -4.310740429e-03 -4.310740429e-03 5.52 -3.735939887e-03 -3.735939887e-03 5.54 -3.238131915e-03 -3.238131915e-03 5.56 -2.807136378e-03 -2.807136378e-03 5.58 -2.434058411e-03 -2.434058411e-03 5.60 -2.111145053e-03 -2.111145053e-03 5.62 -1.831652444e-03 -1.831652444e-03 5.64 -1.589724447e-03 -1.589724447e-03 5.66 -1.380282938e-03 -1.380282938e-03 5.68 -1.198929491e-03 -1.198929491e-03 5.70 -1.041857924e-03 -1.041857924e-03 5.72 -9.057769573e-04 -9.057769573e-04 5.74 -7.878421487e-04 -7.878421487e-04 5.76 -6.855962472e-04 -6.855962472e-04 5.78 -5.969170900e-04 -5.969170900e-04 5.80 -5.199722245e-04 -5.199722245e-04 5.82 -4.531794772e-04 -4.531794772e-04 5.84 -3.951727571e-04 -3.951727571e-04 5.86 -3.447724465e-04 -3.447724465e-04 5.88 -3.009597963e-04 -3.009597963e-04 5.90 -2.628548093e-04 -2.628548093e-04 5.92 -2.296971507e-04 -2.296971507e-04 5.94 -2.008296830e-04 -2.008296830e-04 5.96 -1.756842722e-04 -1.756842722e-04 5.98 -1.537695548e-04 -1.537695548e-04 6.00 -1.346603990e-04 -1.346603990e-04