# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Ko-W-S-Lee-J-S-Kim-D-H--Ag-Cu-Sn # implementation = 2021--Ko-W-S--Ag-Cu-Sn--LAMMPS--ipr1 # composition = AgCu2Sn # 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 2026-06-16 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 4.951541804e+02 4.951541804e+02 1.00 4.645250514e+02 4.645250514e+02 1.02 4.356782091e+02 4.356782091e+02 1.04 4.085146609e+02 4.085146609e+02 1.06 3.829406801e+02 3.829406801e+02 1.08 3.588675376e+02 3.588675376e+02 1.10 3.362112473e+02 3.362112473e+02 1.12 3.148923227e+02 3.148923227e+02 1.14 2.948355472e+02 2.948355472e+02 1.16 2.759697535e+02 2.759697535e+02 1.18 2.582276155e+02 2.582276155e+02 1.20 2.415454498e+02 2.415454498e+02 1.22 2.258630264e+02 2.258630264e+02 1.24 2.111233904e+02 2.111233904e+02 1.26 1.972726905e+02 1.972726905e+02 1.28 1.842600178e+02 1.842600178e+02 1.30 1.720372513e+02 1.720372513e+02 1.32 1.605589122e+02 1.605589122e+02 1.34 1.497820245e+02 1.497820245e+02 1.36 1.396659835e+02 1.396659835e+02 1.38 1.301724306e+02 1.301724306e+02 1.40 1.212651336e+02 1.212651336e+02 1.42 1.129098750e+02 1.129098750e+02 1.44 1.050743438e+02 1.050743438e+02 1.46 9.772803414e+01 9.772803414e+01 1.48 9.084214893e+01 9.084214893e+01 1.50 8.438950801e+01 8.438950801e+01 1.52 7.834446140e+01 7.834446140e+01 1.54 7.268280683e+01 7.268280683e+01 1.56 6.738171152e+01 6.738171152e+01 1.58 6.241963816e+01 6.241963816e+01 1.60 5.777627448e+01 5.777627448e+01 1.62 5.343246667e+01 5.343246667e+01 1.64 4.937015626e+01 4.937015626e+01 1.66 4.557232011e+01 4.557232011e+01 1.68 4.202291378e+01 4.202291378e+01 1.70 3.870681773e+01 3.870681773e+01 1.72 3.560978632e+01 3.560978632e+01 1.74 3.271839966e+01 3.271839966e+01 1.76 3.002001781e+01 3.002001781e+01 1.78 2.750273752e+01 2.750273752e+01 1.80 2.515535126e+01 2.515535126e+01 1.82 2.296730842e+01 2.296730842e+01 1.84 2.092867851e+01 2.092867851e+01 1.86 1.903011648e+01 1.903011648e+01 1.88 1.726282974e+01 1.726282974e+01 1.90 1.561854704e+01 1.561854704e+01 1.92 1.408948904e+01 1.408948904e+01 1.94 1.266834040e+01 1.266834040e+01 1.96 1.134822344e+01 1.134822344e+01 1.98 1.012267321e+01 1.012267321e+01 2.00 8.985613918e+00 8.985613918e+00 2.02 7.931336633e+00 7.931336633e+00 2.04 6.954478228e+00 6.954478228e+00 2.06 6.050001458e+00 6.050001458e+00 2.08 5.213176161e+00 5.213176161e+00 2.10 4.439561451e+00 4.439561451e+00 2.12 3.724988939e+00 3.724988939e+00 2.14 3.065546864e+00 3.065546864e+00 2.16 2.457565093e+00 2.457565093e+00 2.18 1.897600987e+00 1.897600987e+00 2.20 1.382426029e+00 1.382426029e+00 2.22 9.090132069e-01 9.090132069e-01 2.24 4.745251210e-01 4.745251210e-01 2.26 7.630273619e-02 7.630273619e-02 2.28 -2.881452164e-01 -2.881452164e-01 2.30 -6.211522351e-01 -6.211522351e-01 2.32 -9.249034934e-01 -9.249034934e-01 2.34 -1.201444728e+00 -1.201444728e+00 2.36 -1.452690632e+00 -1.452690632e+00 2.38 -1.680432769e+00 -1.680432769e+00 2.40 -1.886347020e+00 -1.886347020e+00 2.42 -2.072000623e+00 -2.072000623e+00 2.44 -2.238858787e+00 -2.238858787e+00 2.46 -2.388290930e+00 -2.388290930e+00 2.48 -2.521576562e+00 -2.521576562e+00 2.50 -2.639910817e+00 -2.639910817e+00 2.52 -2.744409662e+00 -2.744409662e+00 2.54 -2.836114812e+00 -2.836114812e+00 2.56 -2.915998339e+00 -2.915998339e+00 2.58 -2.984973401e+00 -2.984973401e+00 2.60 -3.043936050e+00 -3.043936050e+00 2.62 -3.093588526e+00 -3.093588526e+00 2.64 -3.134652118e+00 -3.134652118e+00 2.66 -3.167853935e+00 -3.167853935e+00 2.68 -3.193830976e+00 -3.193830976e+00 2.70 -3.213176118e+00 -3.213176118e+00 2.72 -3.226440944e+00 -3.226440944e+00 2.74 -3.234138401e+00 -3.234138401e+00 2.76 -3.236745295e+00 -3.236745295e+00 2.78 -3.234704632e+00 -3.234704632e+00 2.80 -3.228427822e+00 -3.228427822e+00 2.82 -3.218296746e+00 -3.218296746e+00 2.84 -3.204665689e+00 -3.204665689e+00 2.86 -3.187863169e+00 -3.187863169e+00 2.88 -3.168193636e+00 -3.168193636e+00 2.90 -3.145939080e+00 -3.145939080e+00 2.92 -3.121360528e+00 -3.121360528e+00 2.94 -3.094699455e+00 -3.094699455e+00 2.96 -3.066179100e+00 -3.066179100e+00 2.98 -3.036005708e+00 -3.036005708e+00 3.00 -3.004369683e+00 -3.004369683e+00 3.02 -2.971398238e+00 -2.971398238e+00 3.04 -2.936472037e+00 -2.936472037e+00 3.06 -2.898797511e+00 -2.898797511e+00 3.08 -2.862622705e+00 -2.862622705e+00 3.10 -2.825826181e+00 -2.825826181e+00 3.12 -2.788465137e+00 -2.788465137e+00 3.14 -2.750643268e+00 -2.750643268e+00 3.16 -2.712455578e+00 -2.712455578e+00 3.18 -2.673988997e+00 -2.673988997e+00 3.20 -2.635322968e+00 -2.635322968e+00 3.22 -2.596529988e+00 -2.596529988e+00 3.24 -2.557676118e+00 -2.557676118e+00 3.26 -2.518821456e+00 -2.518821456e+00 3.28 -2.480020579e+00 -2.480020579e+00 3.30 -2.441322956e+00 -2.441322956e+00 3.32 -2.402773332e+00 -2.402773332e+00 3.34 -2.364412086e+00 -2.364412086e+00 3.36 -2.326275566e+00 -2.326275566e+00 3.38 -2.288396399e+00 -2.288396399e+00 3.40 -2.250803779e+00 -2.250803779e+00 3.42 -2.213523739e+00 -2.213523739e+00 3.44 -2.176579398e+00 -2.176579398e+00 3.46 -2.139991197e+00 -2.139991197e+00 3.48 -2.103777114e+00 -2.103777114e+00 3.50 -2.067952863e+00 -2.067952863e+00 3.52 -2.032532084e+00 -2.032532084e+00 3.54 -1.997526513e+00 -1.997526513e+00 3.56 -1.962946143e+00 -1.962946143e+00 3.58 -1.928799375e+00 -1.928799375e+00 3.60 -1.895093152e+00 -1.895093152e+00 3.62 -1.861833090e+00 -1.861833090e+00 3.64 -1.829023595e+00 -1.829023595e+00 3.66 -1.796667970e+00 -1.796667970e+00 3.68 -1.764768519e+00 -1.764768519e+00 3.70 -1.733326639e+00 -1.733326639e+00 3.72 -1.702342906e+00 -1.702342906e+00 3.74 -1.671817153e+00 -1.671817153e+00 3.76 -1.641748546e+00 -1.641748546e+00 3.78 -1.612135649e+00 -1.612135649e+00 3.80 -1.582976488e+00 -1.582976488e+00 3.82 -1.554268603e+00 -1.554268603e+00 3.84 -1.526009108e+00 -1.526009108e+00 3.86 -1.498194734e+00 -1.498194734e+00 3.88 -1.470821873e+00 -1.470821873e+00 3.90 -1.443886621e+00 -1.443886621e+00 3.92 -1.417384812e+00 -1.417384812e+00 3.94 -1.391312055e+00 -1.391312055e+00 3.96 -1.365663761e+00 -1.365663761e+00 3.98 -1.340435175e+00 -1.340435175e+00 4.00 -1.315621398e+00 -1.315621398e+00 4.02 -1.291217414e+00 -1.291217414e+00 4.04 -1.267218107e+00 -1.267218107e+00 4.06 -1.243618284e+00 -1.243618284e+00 4.08 -1.220412690e+00 -1.220412690e+00 4.10 -1.197596023e+00 -1.197596023e+00 4.12 -1.175162951e+00 -1.175162951e+00 4.14 -1.153108122e+00 -1.153108122e+00 4.16 -1.131426177e+00 -1.131426177e+00 4.18 -1.110111760e+00 -1.110111760e+00 4.20 -1.089159524e+00 -1.089159524e+00 4.22 -1.068564145e+00 -1.068564145e+00 4.24 -1.048320323e+00 -1.048320323e+00 4.26 -1.028095725e+00 -1.028095725e+00 4.28 -1.001242514e+00 -1.001242514e+00 4.30 -9.491869181e-01 -9.491869181e-01 4.32 -8.649497149e-01 -8.649497149e-01 4.34 -8.284128835e-01 -8.284128835e-01 4.36 -8.127237310e-01 -8.127237310e-01 4.38 -7.973199540e-01 -7.973199540e-01 4.40 -7.821962726e-01 -7.821962726e-01 4.42 -7.673475002e-01 -7.673475002e-01 4.44 -7.527685437e-01 -7.527685437e-01 4.46 -7.384544047e-01 -7.384544047e-01 4.48 -7.244001786e-01 -7.244001786e-01 4.50 -7.106010548e-01 -7.106010548e-01 4.52 -6.970523158e-01 -6.970523158e-01 4.54 -6.837493372e-01 -6.837493372e-01 4.56 -6.706875862e-01 -6.706875862e-01 4.58 -6.578626209e-01 -6.578626209e-01 4.60 -6.452700891e-01 -6.452700891e-01 4.62 -6.329057273e-01 -6.329057273e-01 4.64 -6.207653587e-01 -6.207653587e-01 4.66 -6.088448928e-01 -6.088448928e-01 4.68 -5.971403228e-01 -5.971403228e-01 4.70 -5.856477248e-01 -5.856477248e-01 4.72 -5.743632562e-01 -5.743632562e-01 4.74 -5.632831534e-01 -5.632831534e-01 4.76 -5.524037310e-01 -5.524037310e-01 4.78 -5.417213796e-01 -5.417213796e-01 4.80 -5.312325640e-01 -5.312325640e-01 4.82 -5.209338220e-01 -5.209338220e-01 4.84 -5.108217624e-01 -5.108217624e-01 4.86 -5.008930632e-01 -5.008930632e-01 4.88 -4.911444702e-01 -4.911444702e-01 4.90 -4.815727952e-01 -4.815727952e-01 4.92 -4.711014968e-01 -4.711014968e-01 4.94 -4.461200873e-01 -4.461200873e-01 4.96 -3.712683073e-01 -3.712683073e-01 4.98 -2.018531103e-01 -2.018531103e-01 5.00 -1.217422009e-22 -1.217288597e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 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