# 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 = Al2TaTi # 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 1.853012014e+02 1.853012014e+02 1.30 1.722356973e+02 1.722356973e+02 1.32 1.601172354e+02 1.601172354e+02 1.34 1.488702770e+02 1.488702770e+02 1.36 1.384246278e+02 1.384246278e+02 1.38 1.287166914e+02 1.287166914e+02 1.40 1.196895020e+02 1.196895020e+02 1.42 1.112914858e+02 1.112914858e+02 1.44 1.034748077e+02 1.034748077e+02 1.46 9.619429191e+01 9.619429191e+01 1.48 8.940746237e+01 8.940746237e+01 1.50 8.307540604e+01 8.307540604e+01 1.52 7.716346802e+01 7.716346802e+01 1.54 7.164106501e+01 7.164106501e+01 1.56 6.648083423e+01 6.648083423e+01 1.58 6.165776072e+01 6.165776072e+01 1.60 5.714863818e+01 5.714863818e+01 1.62 5.293182984e+01 5.293182984e+01 1.64 4.898715266e+01 4.898715266e+01 1.66 4.529578258e+01 4.529578258e+01 1.68 4.184022080e+01 4.184022080e+01 1.70 3.860436066e+01 3.860436066e+01 1.72 3.557354766e+01 3.557354766e+01 1.74 3.273460293e+01 3.273460293e+01 1.76 3.007865661e+01 3.007865661e+01 1.78 2.759536794e+01 2.759536794e+01 1.80 2.527360319e+01 2.527360319e+01 1.82 2.310280897e+01 2.310280897e+01 1.84 2.107314078e+01 2.107314078e+01 1.86 1.917621305e+01 1.917621305e+01 1.88 1.740636991e+01 1.740636991e+01 1.90 1.575587299e+01 1.575587299e+01 1.92 1.421720550e+01 1.421720550e+01 1.94 1.278327809e+01 1.278327809e+01 1.96 1.144736928e+01 1.144736928e+01 1.98 1.020309905e+01 1.020309905e+01 2.00 9.044429775e+00 9.044429775e+00 2.02 7.965680420e+00 7.965680420e+00 2.04 6.961538156e+00 6.961538156e+00 2.06 6.027057703e+00 6.027057703e+00 2.08 5.157649524e+00 5.157649524e+00 2.10 4.349063334e+00 4.349063334e+00 2.12 3.597368719e+00 3.597368719e+00 2.14 2.898931164e+00 2.898931164e+00 2.16 2.250385044e+00 2.250385044e+00 2.18 1.648607536e+00 1.648607536e+00 2.20 1.090695085e+00 1.090695085e+00 2.22 5.739390990e-01 5.739390990e-01 2.24 9.579830701e-02 9.579830701e-02 2.26 -3.461307319e-01 -3.461307319e-01 2.28 -7.541394924e-01 -7.541394924e-01 2.30 -1.130423720e+00 -1.130423720e+00 2.32 -1.477088317e+00 -1.477088317e+00 2.34 -1.796140280e+00 -1.796140280e+00 2.36 -2.089473239e+00 -2.089473239e+00 2.38 -2.358848254e+00 -2.358848254e+00 2.40 -2.605878114e+00 -2.605878114e+00 2.42 -2.832021654e+00 -2.832021654e+00 2.44 -3.038584855e+00 -3.038584855e+00 2.46 -3.226646911e+00 -3.226646911e+00 2.48 -3.397370846e+00 -3.397370846e+00 2.50 -3.551904496e+00 -3.551904496e+00 2.52 -3.691341544e+00 -3.691341544e+00 2.54 -3.816758614e+00 -3.816758614e+00 2.56 -3.929242975e+00 -3.929242975e+00 2.58 -4.029905714e+00 -4.029905714e+00 2.60 -4.119843732e+00 -4.119843732e+00 2.62 -4.199956297e+00 -4.199956297e+00 2.64 -4.271071604e+00 -4.271071604e+00 2.66 -4.333981126e+00 -4.333981126e+00 2.68 -4.389386037e+00 -4.389386037e+00 2.70 -4.437881510e+00 -4.437881510e+00 2.72 -4.479950848e+00 -4.479950848e+00 2.74 -4.515882489e+00 -4.515882489e+00 2.76 -4.545884507e+00 -4.545884507e+00 2.78 -4.570117641e+00 -4.570117641e+00 2.80 -4.588718163e+00 -4.588718163e+00 2.82 -4.601815113e+00 -4.601815113e+00 2.84 -4.609542386e+00 -4.609542386e+00 2.86 -4.612046242e+00 -4.612046242e+00 2.88 -4.609479786e+00 -4.609479786e+00 2.90 -4.601957287e+00 -4.601957287e+00 2.92 -4.589602716e+00 -4.589602716e+00 2.94 -4.572573855e+00 -4.572573855e+00 2.96 -4.551073243e+00 -4.551073243e+00 2.98 -4.526317783e+00 -4.526317783e+00 3.00 -4.498824799e+00 -4.498824799e+00 3.02 -4.468414897e+00 -4.468414897e+00 3.04 -4.434991274e+00 -4.434991274e+00 3.06 -4.398529487e+00 -4.398529487e+00 3.08 -4.359063861e+00 -4.359063861e+00 3.10 -4.316672179e+00 -4.316672179e+00 3.12 -4.271459587e+00 -4.271459587e+00 3.14 -4.223546503e+00 -4.223546503e+00 3.16 -4.173074794e+00 -4.173074794e+00 3.18 -4.120193772e+00 -4.120193772e+00 3.20 -4.065045625e+00 -4.065045625e+00 3.22 -4.007770708e+00 -4.007770708e+00 3.24 -3.948514277e+00 -3.948514277e+00 3.26 -3.887432558e+00 -3.887432558e+00 3.28 -3.824696619e+00 -3.824696619e+00 3.30 -3.760493210e+00 -3.760493210e+00 3.32 -3.695022361e+00 -3.695022361e+00 3.34 -3.628492154e+00 -3.628492154e+00 3.36 -3.561111535e+00 -3.561111535e+00 3.38 -3.493082347e+00 -3.493082347e+00 3.40 -3.424591790e+00 -3.424591790e+00 3.42 -3.355806476e+00 -3.355806476e+00 3.44 -3.286868541e+00 -3.286868541e+00 3.46 -3.217894380e+00 -3.217894380e+00 3.48 -3.148975557e+00 -3.148975557e+00 3.50 -3.080181385e+00 -3.080181385e+00 3.52 -3.011562392e+00 -3.011562392e+00 3.54 -2.943153912e+00 -2.943153912e+00 3.56 -2.874979249e+00 -2.874979249e+00 3.58 -2.807052261e+00 -2.807052261e+00 3.60 -2.739379562e+00 -2.739379562e+00 3.62 -2.671962813e+00 -2.671962813e+00 3.64 -2.604801585e+00 -2.604801585e+00 3.66 -2.537897057e+00 -2.537897057e+00 3.68 -2.471256482e+00 -2.471256482e+00 3.70 -2.404898008e+00 -2.404898008e+00 3.72 -2.338855247e+00 -2.338855247e+00 3.74 -2.273180928e+00 -2.273180928e+00 3.76 -2.207949091e+00 -2.207949091e+00 3.78 -2.143255412e+00 -2.143255412e+00 3.80 -2.079215532e+00 -2.079215532e+00 3.82 -2.015961409e+00 -2.015961409e+00 3.84 -1.953636006e+00 -1.953636006e+00 3.86 -1.892386741e+00 -1.892386741e+00 3.88 -1.832358309e+00 -1.832358309e+00 3.90 -1.773685520e+00 -1.773685520e+00 3.92 -1.716486764e+00 -1.716486764e+00 3.94 -1.660858832e+00 -1.660858832e+00 3.96 -1.606872967e+00 -1.606872967e+00 3.98 -1.554573036e+00 -1.554573036e+00 4.00 -1.503975275e+00 -1.503975275e+00 4.02 -1.455069675e+00 -1.455069675e+00 4.04 -1.407822676e+00 -1.407822676e+00 4.06 -1.362180876e+00 -1.362180876e+00 4.08 -1.318075377e+00 -1.318075377e+00 4.10 -1.275426411e+00 -1.275426411e+00 4.12 -1.234148477e+00 -1.234148477e+00 4.14 -1.194154457e+00 -1.194154457e+00 4.16 -1.155360372e+00 -1.155360372e+00 4.18 -1.117689179e+00 -1.117689179e+00 4.20 -1.081074073e+00 -1.081074073e+00 4.22 -1.045460998e+00 -1.045460998e+00 4.24 -1.010810234e+00 -1.010810234e+00 4.26 -9.770968919e-01 -9.770968919e-01 4.28 -9.443102291e-01 -9.443102291e-01 4.30 -9.124517854e-01 -9.124517854e-01 4.32 -8.815324525e-01 -8.815324525e-01 4.34 -8.515687375e-01 -8.515687375e-01 4.36 -8.225785962e-01 -8.225785962e-01 4.38 -7.945772802e-01 -7.945772802e-01 4.40 -7.675736397e-01 -7.675736397e-01 4.42 -7.415672458e-01 -7.415672458e-01 4.44 -7.165465570e-01 -7.165465570e-01 4.46 -6.924881921e-01 -6.924881921e-01 4.48 -6.693572209e-01 -6.693572209e-01 4.50 -6.471082676e-01 -6.471082676e-01 4.52 -6.256871686e-01 -6.256871686e-01 4.54 -6.050329172e-01 -6.050329172e-01 4.56 -5.850796694e-01 -5.850796694e-01 4.58 -5.657586409e-01 -5.657586409e-01 4.60 -5.469997967e-01 -5.469997967e-01 4.62 -5.287332938e-01 -5.287332938e-01 4.64 -5.108906875e-01 -5.108906875e-01 4.66 -4.934059449e-01 -4.934059449e-01 4.68 -4.762163268e-01 -4.762163268e-01 4.70 -4.592632050e-01 -4.592632050e-01 4.72 -4.424928788e-01 -4.424928788e-01 4.74 -4.258574399e-01 -4.258574399e-01 4.76 -4.093157167e-01 -4.093157167e-01 4.78 -3.928343061e-01 -3.928343061e-01 4.80 -3.763886199e-01 -3.763886199e-01 4.82 -3.599642085e-01 -3.599642085e-01 4.84 -3.435574718e-01 -3.435574718e-01 4.86 -3.271767522e-01 -3.271767522e-01 4.88 -3.108428236e-01 -3.108428236e-01 4.90 -2.945889913e-01 -2.945889913e-01 4.92 -2.784606126e-01 -2.784606126e-01 4.94 -2.625139477e-01 -2.625139477e-01 4.96 -2.468143006e-01 -2.468143006e-01 4.98 -2.314334884e-01 -2.314334884e-01 5.00 -2.164467578e-01 -2.164467578e-01 5.02 -2.019293486e-01 -2.019293486e-01 5.04 -1.879529610e-01 -1.879529610e-01 5.06 -1.745824130e-01 -1.745824130e-01 5.08 -1.618727628e-01 -1.618727628e-01 5.10 -1.498671158e-01 -1.498671158e-01 5.12 -1.385952621e-01 -1.385952621e-01 5.14 -1.280731878e-01 -1.280731878e-01 5.16 -1.183034130e-01 -1.183034130e-01 5.18 -1.092760302e-01 -1.092760302e-01 5.20 -1.009702685e-01 -1.009702685e-01 5.22 -9.335638624e-02 -9.335638624e-02 5.24 -8.639770389e-02 -8.639770389e-02 5.26 -8.005260652e-02 -8.005260652e-02 5.28 -7.427641316e-02 -7.427641316e-02 5.30 -6.902301034e-02 -6.902301034e-02 5.32 -6.424621876e-02 -6.424621876e-02 5.34 -5.990086298e-02 -5.990086298e-02 5.36 -5.594357783e-02 -5.594357783e-02 5.38 -5.233315771e-02 -5.233315771e-02 5.40 -4.903119247e-02 -4.903119247e-02 5.42 -4.600263346e-02 -4.600263346e-02 5.44 -4.321539376e-02 -4.321539376e-02 5.46 -4.064025352e-02 -4.064025352e-02 5.48 -3.825082175e-02 -3.825082175e-02 5.50 -3.602344000e-02 -3.602344000e-02 5.52 -3.393705432e-02 -3.393705432e-02 5.54 -3.197307506e-02 -3.197307506e-02 5.56 -3.011523469e-02 -3.011523469e-02 5.58 -2.834945686e-02 -2.834945686e-02 5.60 -2.666373765e-02 -2.666373765e-02 5.62 -2.504803872e-02 -2.504803872e-02 5.64 -2.349419002e-02 -2.349419002e-02 5.66 -2.199579616e-02 -2.199579616e-02 5.68 -2.054813941e-02 -2.054813941e-02 5.70 -1.914807057e-02 -1.914807057e-02 5.72 -1.779387991e-02 -1.779387991e-02 5.74 -1.648514113e-02 -1.648514113e-02 5.76 -1.522252159e-02 -1.522252159e-02 5.78 -1.400740106e-02 -1.400740106e-02 5.80 -1.284192995e-02 -1.284192995e-02 5.82 -1.172874891e-02 -1.172874891e-02 5.84 -1.067059659e-02 -1.067059659e-02 5.86 -9.670054505e-03 -9.670054505e-03 5.88 -8.729320397e-03 -8.729320397e-03 5.90 -7.850023962e-03 -7.850023962e-03 5.92 -7.033095337e-03 -7.033095337e-03 5.94 -6.278691128e-03 -6.278691128e-03 5.96 -5.586177266e-03 -5.586177266e-03 5.98 -4.954162850e-03 -4.954162850e-03 6.00 -4.380575344e-03 -4.380575344e-03