# 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 = AgCu2Ta # 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 1.997192175e+02 1.997192175e+02 1.30 1.842936436e+02 1.842936436e+02 1.32 1.700412673e+02 1.700412673e+02 1.34 1.568670141e+02 1.568670141e+02 1.36 1.446861556e+02 1.446861556e+02 1.38 1.334223783e+02 1.334223783e+02 1.40 1.230062432e+02 1.230062432e+02 1.42 1.133742066e+02 1.133742066e+02 1.44 1.044674992e+02 1.044674992e+02 1.46 9.623069379e+01 9.623069379e+01 1.48 8.861054334e+01 8.861054334e+01 1.50 8.155572123e+01 8.155572123e+01 1.52 7.501751466e+01 7.501751466e+01 1.54 6.895092013e+01 6.895092013e+01 1.56 6.331551575e+01 6.331551575e+01 1.58 5.807584697e+01 5.807584697e+01 1.60 5.320136461e+01 5.320136461e+01 1.62 4.866597863e+01 4.866597863e+01 1.64 4.444726054e+01 4.444726054e+01 1.66 4.052757248e+01 4.052757248e+01 1.68 3.689258015e+01 3.689258015e+01 1.70 3.352485159e+01 3.352485159e+01 1.72 3.040788824e+01 3.040788824e+01 1.74 2.752650342e+01 2.752650342e+01 1.76 2.486481389e+01 2.486481389e+01 1.78 2.240756119e+01 2.240756119e+01 1.80 2.014033139e+01 2.014033139e+01 1.82 1.804961285e+01 1.804961285e+01 1.84 1.612283461e+01 1.612283461e+01 1.86 1.434831166e+01 1.434831166e+01 1.88 1.271511068e+01 1.271511068e+01 1.90 1.121288032e+01 1.121288032e+01 1.92 9.831701659e+00 9.831701659e+00 1.94 8.562006758e+00 8.562006758e+00 1.96 7.394588702e+00 7.394588702e+00 1.98 6.320694833e+00 6.320694833e+00 2.00 5.332169585e+00 5.332169585e+00 2.02 4.421602836e+00 4.421602836e+00 2.04 3.582439475e+00 3.582439475e+00 2.06 2.809014960e+00 2.809014960e+00 2.08 2.096503430e+00 2.096503430e+00 2.10 1.440794039e+00 1.440794039e+00 2.12 8.383313884e-01 8.383313884e-01 2.14 2.859574360e-01 2.859574360e-01 2.16 -2.192203737e-01 -2.192203737e-01 2.18 -6.799258938e-01 -6.799258938e-01 2.20 -1.098778451e+00 -1.098778451e+00 2.22 -1.478332649e+00 -1.478332649e+00 2.24 -1.821104207e+00 -1.821104207e+00 2.26 -2.129591723e+00 -2.129591723e+00 2.28 -2.406299480e+00 -2.406299480e+00 2.30 -2.653631850e+00 -2.653631850e+00 2.32 -2.874185304e+00 -2.874185304e+00 2.34 -3.070784590e+00 -3.070784590e+00 2.36 -3.246132224e+00 -3.246132224e+00 2.38 -3.402709872e+00 -3.402709872e+00 2.40 -3.542676000e+00 -3.542676000e+00 2.42 -3.667467045e+00 -3.667467045e+00 2.44 -3.778028616e+00 -3.778028616e+00 2.46 -3.875274058e+00 -3.875274058e+00 2.48 -3.960076127e+00 -3.960076127e+00 2.50 -4.033255790e+00 -4.033255790e+00 2.52 -4.095582211e+00 -4.095582211e+00 2.54 -4.147778935e+00 -4.147778935e+00 2.56 -4.190532421e+00 -4.190532421e+00 2.58 -4.224500569e+00 -4.224500569e+00 2.60 -4.250319888e+00 -4.250319888e+00 2.62 -4.268610402e+00 -4.268610402e+00 2.64 -4.279977917e+00 -4.279977917e+00 2.66 -4.285013784e+00 -4.285013784e+00 2.68 -4.284292487e+00 -4.284292487e+00 2.70 -4.278367021e+00 -4.278367021e+00 2.72 -4.267761717e+00 -4.267761717e+00 2.74 -4.252962627e+00 -4.252962627e+00 2.76 -4.234679769e+00 -4.234679769e+00 2.78 -4.213363563e+00 -4.213363563e+00 2.80 -4.188952974e+00 -4.188952974e+00 2.82 -4.161415510e+00 -4.161415510e+00 2.84 -4.130744065e+00 -4.130744065e+00 2.86 -4.096955815e+00 -4.096955815e+00 2.88 -4.060112143e+00 -4.060112143e+00 2.90 -4.020373363e+00 -4.020373363e+00 2.92 -3.977751925e+00 -3.977751925e+00 2.94 -3.932288275e+00 -3.932288275e+00 2.96 -3.884086830e+00 -3.884086830e+00 2.98 -3.833277725e+00 -3.833277725e+00 3.00 -3.780007298e+00 -3.780007298e+00 3.02 -3.724432106e+00 -3.724432106e+00 3.04 -3.666714776e+00 -3.666714776e+00 3.06 -3.607026214e+00 -3.607026214e+00 3.08 -3.545531890e+00 -3.545531890e+00 3.10 -3.482383149e+00 -3.482383149e+00 3.12 -3.417713925e+00 -3.417713925e+00 3.14 -3.351639504e+00 -3.351639504e+00 3.16 -3.284257849e+00 -3.284257849e+00 3.18 -3.215653667e+00 -3.215653667e+00 3.20 -3.145904860e+00 -3.145904860e+00 3.22 -3.075090588e+00 -3.075090588e+00 3.24 -3.003299774e+00 -3.003299774e+00 3.26 -2.930638769e+00 -2.930638769e+00 3.28 -2.857236909e+00 -2.857236909e+00 3.30 -2.783248929e+00 -2.783248929e+00 3.32 -2.708853649e+00 -2.708853649e+00 3.34 -2.634248892e+00 -2.634248892e+00 3.36 -2.559643219e+00 -2.559643219e+00 3.38 -2.485245592e+00 -2.485245592e+00 3.40 -2.411254386e+00 -2.411254386e+00 3.42 -2.337847217e+00 -2.337847217e+00 3.44 -2.265172814e+00 -2.265172814e+00 3.46 -2.193345723e+00 -2.193345723e+00 3.48 -2.122444148e+00 -2.122444148e+00 3.50 -2.052510757e+00 -2.052510757e+00 3.52 -1.983555998e+00 -1.983555998e+00 3.54 -1.915563283e+00 -1.915563283e+00 3.56 -1.848495422e+00 -1.848495422e+00 3.58 -1.782301740e+00 -1.782301740e+00 3.60 -1.716925453e+00 -1.716925453e+00 3.62 -1.652310991e+00 -1.652310991e+00 3.64 -1.588411041e+00 -1.588411041e+00 3.66 -1.525193128e+00 -1.525193128e+00 3.68 -1.462645528e+00 -1.462645528e+00 3.70 -1.400782277e+00 -1.400782277e+00 3.72 -1.339646965e+00 -1.339646965e+00 3.74 -1.279314945e+00 -1.279314945e+00 3.76 -1.219893589e+00 -1.219893589e+00 3.78 -1.161520238e+00 -1.161520238e+00 3.80 -1.104357662e+00 -1.104357662e+00 3.82 -1.048587038e+00 -1.048587038e+00 3.84 -9.943987987e-01 -9.943987987e-01 3.86 -9.419820020e-01 -9.419820020e-01 3.88 -8.915131865e-01 -8.915131865e-01 3.90 -8.431458087e-01 -8.431458087e-01 3.92 -7.970013503e-01 -7.970013503e-01 3.94 -7.531629558e-01 -7.531629558e-01 3.96 -7.116720812e-01 -7.116720812e-01 3.98 -6.725282260e-01 -6.725282260e-01 4.00 -6.356914061e-01 -6.356914061e-01 4.02 -6.010867618e-01 -6.010867618e-01 4.04 -5.686105595e-01 -5.686105595e-01 4.06 -5.381368589e-01 -5.381368589e-01 4.08 -5.095242264e-01 -5.095242264e-01 4.10 -4.826220418e-01 -4.826220418e-01 4.12 -4.572761251e-01 -4.572761251e-01 4.14 -4.333335424e-01 -4.333335424e-01 4.16 -4.106466043e-01 -4.106466043e-01 4.18 -3.890761034e-01 -3.890761034e-01 4.20 -3.684939001e-01 -3.684939001e-01 4.22 -3.487849596e-01 -3.487849596e-01 4.24 -3.298489284e-01 -3.298489284e-01 4.26 -3.116013025e-01 -3.116013025e-01 4.28 -2.939742067e-01 -2.939742067e-01 4.30 -2.769167624e-01 -2.769167624e-01 4.32 -2.603949942e-01 -2.603949942e-01 4.34 -2.443912120e-01 -2.443912120e-01 4.36 -2.289028020e-01 -2.289028020e-01 4.38 -2.139403883e-01 -2.139403883e-01 4.40 -1.995253694e-01 -1.995253694e-01 4.42 -1.856868978e-01 -1.856868978e-01 4.44 -1.724584463e-01 -1.724584463e-01 4.46 -1.598741805e-01 -1.598741805e-01 4.48 -1.479654074e-01 -1.479654074e-01 4.50 -1.367573944e-01 -1.367573944e-01 4.52 -1.262668256e-01 -1.262668256e-01 4.54 -1.165000911e-01 -1.165000911e-01 4.56 -1.074525072e-01 -1.074525072e-01 4.58 -9.910844586e-02 -9.910844586e-02 4.60 -9.144225252e-02 -9.144225252e-02 4.62 -8.441975555e-02 -8.441975555e-02 4.64 -7.800015634e-02 -7.800015634e-02 4.66 -7.213806371e-02 -7.213806371e-02 4.68 -6.678547915e-02 -6.678547915e-02 4.70 -6.189359591e-02 -6.189359591e-02 4.72 -5.741408796e-02 -5.741408796e-02 4.74 -5.330063981e-02 -5.330063981e-02 4.76 -4.951039840e-02 -4.951039840e-02 4.78 -4.600402787e-02 -4.600402787e-02 4.80 -4.274602552e-02 -4.274602552e-02 4.82 -3.970503093e-02 -3.970503093e-02 4.84 -3.685393949e-02 -3.685393949e-02 4.86 -3.416987835e-02 -3.416987835e-02 4.88 -3.163406593e-02 -3.163406593e-02 4.90 -2.923158099e-02 -2.923158099e-02 4.92 -2.695105454e-02 -2.695105454e-02 4.94 -2.478429380e-02 -2.478429380e-02 4.96 -2.272584635e-02 -2.272584635e-02 4.98 -2.077251703e-02 -2.077251703e-02 5.00 -1.892285114e-02 -1.892285114e-02 5.02 -1.717660459e-02 -1.717660459e-02 5.04 -1.553422531e-02 -1.553422531e-02 5.06 -1.399637216e-02 -1.399637216e-02 5.08 -1.256342316e-02 -1.256342316e-02 5.10 -1.123511969e-02 -1.123511969e-02 5.12 -1.001070247e-02 -1.001070247e-02 5.14 -8.888474541e-03 -8.888474541e-03 5.16 -7.865740795e-03 -7.865740795e-03 5.18 -6.938853967e-03 -6.938853967e-03 5.20 -6.103326001e-03 -6.103326001e-03 5.22 -5.353983764e-03 -5.353983764e-03 5.24 -4.685148413e-03 -4.685148413e-03 5.26 -4.090820147e-03 -4.090820147e-03 5.28 -3.564853879e-03 -3.564853879e-03 5.30 -3.101115664e-03 -3.101115664e-03 5.32 -2.693613859e-03 -2.693613859e-03 5.34 -2.336602565e-03 -2.336602565e-03 5.36 -2.024657678e-03 -2.024657678e-03 5.38 -1.752727743e-03 -1.752727743e-03 5.40 -1.516162973e-03 -1.516162973e-03 5.42 -1.310726262e-03 -1.310726262e-03 5.44 -1.132590066e-03 -1.132590066e-03 5.46 -9.783227757e-04 -9.783227757e-04 5.48 -8.448677124e-04 -8.448677124e-04 5.50 -7.295174166e-04 -7.295174166e-04 5.52 -6.298853210e-04 -6.298853210e-04 5.54 -5.438764483e-04 -5.438764483e-04 5.56 -4.696583279e-04 -4.696583279e-04 5.58 -4.056329771e-04 -4.056329771e-04 5.60 -3.504105017e-04 -3.504105017e-04 5.62 -3.027846486e-04 -3.027846486e-04 5.64 -2.617104739e-04 -2.617104739e-04 5.66 -2.262841665e-04 -2.262841665e-04 5.68 -1.957249839e-04 -1.957249839e-04 5.70 -1.693591977e-04 -1.693591977e-04 5.72 -1.466059140e-04 -1.466059140e-04 5.74 -1.269646128e-04 -1.269646128e-04 5.76 -1.100042457e-04 -1.100042457e-04 5.78 -9.535373028e-05 -9.535373028e-05 5.80 -8.269368816e-05 -8.269368816e-05 5.82 -7.174928135e-05 -7.174928135e-05 5.84 -6.228401391e-05 -6.228401391e-05 5.86 -5.409437825e-05 -5.409437825e-05 5.88 -4.700523756e-05 -4.700523756e-05 5.90 -4.086584771e-05 -4.086584771e-05 5.92 -3.554643338e-05 -3.554643338e-05 5.94 -3.093524330e-05 -3.093524330e-05 5.96 -2.693601910e-05 -2.693601910e-05 5.98 -2.346582059e-05 -2.346582059e-05 6.00 -2.045315781e-05 -2.045315781e-05