# 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 = AgPd2Ti # 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 3.058139477e+02 3.058139477e+02 1.30 2.836056317e+02 2.836056317e+02 1.32 2.630262218e+02 2.630262218e+02 1.34 2.439474785e+02 2.439474785e+02 1.36 2.262511899e+02 2.262511899e+02 1.38 2.098278926e+02 2.098278926e+02 1.40 1.945768441e+02 1.945768441e+02 1.42 1.804061179e+02 1.804061179e+02 1.44 1.672324343e+02 1.672324343e+02 1.46 1.549807528e+02 1.549807528e+02 1.48 1.435834207e+02 1.435834207e+02 1.50 1.329788100e+02 1.329788100e+02 1.52 1.231098338e+02 1.231098338e+02 1.54 1.139228984e+02 1.139228984e+02 1.56 1.053674376e+02 1.053674376e+02 1.58 9.739582267e+01 9.739582267e+01 1.60 8.996352992e+01 8.996352992e+01 1.62 8.302952865e+01 8.302952865e+01 1.64 7.655668653e+01 7.655668653e+01 1.66 7.051187443e+01 7.051187443e+01 1.68 6.486562630e+01 6.486562630e+01 1.70 5.959146393e+01 5.959146393e+01 1.72 5.466584490e+01 5.466584490e+01 1.74 5.009011961e+01 5.009011961e+01 1.76 4.585156948e+01 4.585156948e+01 1.78 4.192501329e+01 4.192501329e+01 1.80 3.828708201e+01 3.828708201e+01 1.82 3.491642218e+01 3.491642218e+01 1.84 3.179365005e+01 3.179365005e+01 1.86 2.890109300e+01 2.890109300e+01 1.88 2.622245085e+01 2.622245085e+01 1.90 2.374252857e+01 2.374252857e+01 1.92 2.144712243e+01 2.144712243e+01 1.94 1.932302542e+01 1.932302542e+01 1.96 1.735805075e+01 1.735805075e+01 1.98 1.554099250e+01 1.554099250e+01 2.00 1.386151454e+01 1.386151454e+01 2.02 1.231000705e+01 1.231000705e+01 2.04 1.087745960e+01 1.087745960e+01 2.06 9.555382941e+00 9.555382941e+00 2.08 8.335785781e+00 8.335785781e+00 2.10 7.211187944e+00 7.211187944e+00 2.12 6.174639163e+00 6.174639163e+00 2.14 5.219721452e+00 5.219721452e+00 2.16 4.340529679e+00 4.340529679e+00 2.18 3.531637071e+00 3.531637071e+00 2.20 2.788054741e+00 2.788054741e+00 2.22 2.105190762e+00 2.105190762e+00 2.24 1.478812344e+00 1.478812344e+00 2.26 9.050127225e-01 9.050127225e-01 2.28 3.801822818e-01 3.801822818e-01 2.30 -9.901862465e-02 -9.901862465e-02 2.32 -5.356892560e-01 -5.356892560e-01 2.34 -9.327204451e-01 -9.327204451e-01 2.36 -1.292827029e+00 -1.292827029e+00 2.38 -1.618577251e+00 -1.618577251e+00 2.40 -1.912417283e+00 -1.912417283e+00 2.42 -2.176690064e+00 -2.176690064e+00 2.44 -2.413647722e+00 -2.413647722e+00 2.46 -2.625456990e+00 -2.625456990e+00 2.48 -2.814195872e+00 -2.814195872e+00 2.50 -2.981840285e+00 -2.981840285e+00 2.52 -3.130241969e+00 -3.130241969e+00 2.54 -3.261147831e+00 -3.261147831e+00 2.56 -3.376092477e+00 -3.376092477e+00 2.58 -3.476372063e+00 -3.476372063e+00 2.60 -3.563142959e+00 -3.563142959e+00 2.62 -3.637438410e+00 -3.637438410e+00 2.64 -3.700188122e+00 -3.700188122e+00 2.66 -3.752234833e+00 -3.752234833e+00 2.68 -3.794345491e+00 -3.794345491e+00 2.70 -3.827375002e+00 -3.827375002e+00 2.72 -3.852367244e+00 -3.852367244e+00 2.74 -3.869536383e+00 -3.869536383e+00 2.76 -3.879082565e+00 -3.879082565e+00 2.78 -3.881248276e+00 -3.881248276e+00 2.80 -3.876312900e+00 -3.876312900e+00 2.82 -3.864589929e+00 -3.864589929e+00 2.84 -3.846426836e+00 -3.846426836e+00 2.86 -3.822209191e+00 -3.822209191e+00 2.88 -3.792414848e+00 -3.792414848e+00 2.90 -3.757640963e+00 -3.757640963e+00 2.92 -3.718500996e+00 -3.718500996e+00 2.94 -3.675459706e+00 -3.675459706e+00 2.96 -3.628983690e+00 -3.628983690e+00 2.98 -3.579533657e+00 -3.579533657e+00 3.00 -3.527552147e+00 -3.527552147e+00 3.02 -3.473454487e+00 -3.473454487e+00 3.04 -3.417622510e+00 -3.417622510e+00 3.06 -3.360400556e+00 -3.360400556e+00 3.08 -3.302096710e+00 -3.302096710e+00 3.10 -3.242977481e+00 -3.242977481e+00 3.12 -3.183262972e+00 -3.183262972e+00 3.14 -3.123129841e+00 -3.123129841e+00 3.16 -3.062716501e+00 -3.062716501e+00 3.18 -3.002130488e+00 -3.002130488e+00 3.20 -2.941456028e+00 -2.941456028e+00 3.22 -2.880761079e+00 -2.880761079e+00 3.24 -2.820103194e+00 -2.820103194e+00 3.26 -2.759534017e+00 -2.759534017e+00 3.28 -2.699102513e+00 -2.699102513e+00 3.30 -2.638857149e+00 -2.638857149e+00 3.32 -2.578847253e+00 -2.578847253e+00 3.34 -2.519123783e+00 -2.519123783e+00 3.36 -2.459739651e+00 -2.459739651e+00 3.38 -2.400749761e+00 -2.400749761e+00 3.40 -2.342210906e+00 -2.342210906e+00 3.42 -2.284181690e+00 -2.284181690e+00 3.44 -2.226722381e+00 -2.226722381e+00 3.46 -2.169894976e+00 -2.169894976e+00 3.48 -2.113763159e+00 -2.113763159e+00 3.50 -2.058392051e+00 -2.058392051e+00 3.52 -2.003847443e+00 -2.003847443e+00 3.54 -1.950194294e+00 -1.950194294e+00 3.56 -1.897494371e+00 -1.897494371e+00 3.58 -1.845803224e+00 -1.845803224e+00 3.60 -1.795166917e+00 -1.795166917e+00 3.62 -1.745619132e+00 -1.745619132e+00 3.64 -1.697179252e+00 -1.697179252e+00 3.66 -1.649851758e+00 -1.649851758e+00 3.68 -1.603627000e+00 -1.603627000e+00 3.70 -1.558483074e+00 -1.558483074e+00 3.72 -1.514388393e+00 -1.514388393e+00 3.74 -1.471304500e+00 -1.471304500e+00 3.76 -1.429188796e+00 -1.429188796e+00 3.78 -1.387996953e+00 -1.387996953e+00 3.80 -1.347684911e+00 -1.347684911e+00 3.82 -1.308210444e+00 -1.308210444e+00 3.84 -1.269534320e+00 -1.269534320e+00 3.86 -1.231621116e+00 -1.231621116e+00 3.88 -1.194439732e+00 -1.194439732e+00 3.90 -1.157963707e+00 -1.157963707e+00 3.92 -1.122171349e+00 -1.122171349e+00 3.94 -1.087045911e+00 -1.087045911e+00 3.96 -1.052575508e+00 -1.052575508e+00 3.98 -1.018753279e+00 -1.018753279e+00 4.00 -9.855774299e-01 -9.855774299e-01 4.02 -9.530512647e-01 -9.530512647e-01 4.04 -9.211831145e-01 -9.211831145e-01 4.06 -8.899860612e-01 -8.899860612e-01 4.08 -8.594773669e-01 -8.594773669e-01 4.10 -8.296774823e-01 -8.296774823e-01 4.12 -8.006089876e-01 -8.006089876e-01 4.14 -7.722945800e-01 -7.722945800e-01 4.16 -7.447555517e-01 -7.447555517e-01 4.18 -7.180099324e-01 -7.180099324e-01 4.20 -6.920709272e-01 -6.920709272e-01 4.22 -6.669457563e-01 -6.669457563e-01 4.24 -6.426350059e-01 -6.426350059e-01 4.26 -6.191325073e-01 -6.191325073e-01 4.28 -5.964256767e-01 -5.964256767e-01 4.30 -5.744961804e-01 -5.744961804e-01 4.32 -5.533207720e-01 -5.533207720e-01 4.34 -5.328721590e-01 -5.328721590e-01 4.36 -5.131197992e-01 -5.131197992e-01 4.38 -4.940305828e-01 -4.940305828e-01 4.40 -4.755694028e-01 -4.755694028e-01 4.42 -4.576996513e-01 -4.576996513e-01 4.44 -4.403836953e-01 -4.403836953e-01 4.46 -4.235833804e-01 -4.235833804e-01 4.48 -4.072605970e-01 -4.072605970e-01 4.50 -3.913779275e-01 -3.913779275e-01 4.52 -3.758993699e-01 -3.758993699e-01 4.54 -3.607911247e-01 -3.607911247e-01 4.56 -3.460224165e-01 -3.460224165e-01 4.58 -3.315663187e-01 -3.315663187e-01 4.60 -3.174005400e-01 -3.174005400e-01 4.62 -3.035081263e-01 -3.035081263e-01 4.64 -2.898780238e-01 -2.898780238e-01 4.66 -2.765054448e-01 -2.765054448e-01 4.68 -2.633919777e-01 -2.633919777e-01 4.70 -2.505453894e-01 -2.505453894e-01 4.72 -2.379790880e-01 -2.379790880e-01 4.74 -2.257112412e-01 -2.257112412e-01 4.76 -2.137635855e-01 -2.137635855e-01 4.78 -2.021600014e-01 -2.021600014e-01 4.80 -1.909249249e-01 -1.909249249e-01 4.82 -1.800819920e-01 -1.800819920e-01 4.84 -1.696523856e-01 -1.696523856e-01 4.86 -1.596539284e-01 -1.596539284e-01 4.88 -1.501002909e-01 -1.501002909e-01 4.90 -1.410006396e-01 -1.410006396e-01 4.92 -1.323596508e-01 -1.323596508e-01 4.94 -1.241778183e-01 -1.241778183e-01 4.96 -1.164519533e-01 -1.164519533e-01 4.98 -1.091757679e-01 -1.091757679e-01 5.00 -1.023404423e-01 -1.023404423e-01 5.02 -9.593510401e-02 -9.593510401e-02 5.04 -8.994703304e-02 -8.994703304e-02 5.06 -8.436209301e-02 -8.436209301e-02 5.08 -7.916509190e-02 -7.916509190e-02 5.10 -7.433947530e-02 -7.433947530e-02 5.12 -6.986742907e-02 -6.986742907e-02 5.14 -6.573000690e-02 -6.573000690e-02 5.16 -6.190723049e-02 -6.190723049e-02 5.18 -5.837826310e-02 -5.837826310e-02 5.20 -5.512221179e-02 -5.512221179e-02 5.22 -5.211798868e-02 -5.211798868e-02 5.24 -4.934461130e-02 -4.934461130e-02 5.26 -4.678152613e-02 -4.678152613e-02 5.28 -4.440888609e-02 -4.440888609e-02 5.30 -4.220777172e-02 -4.220777172e-02 5.32 -4.016035266e-02 -4.016035266e-02 5.34 -3.824999143e-02 -3.824999143e-02 5.36 -3.646129645e-02 -3.646129645e-02 5.38 -3.478013045e-02 -3.478013045e-02 5.40 -3.319358822e-02 -3.319358822e-02 5.42 -3.168995146e-02 -3.168995146e-02 5.44 -3.025862970e-02 -3.025862970e-02 5.46 -2.889009543e-02 -2.889009543e-02 5.48 -2.757582025e-02 -2.757582025e-02 5.50 -2.630821692e-02 -2.630821692e-02 5.52 -2.508059114e-02 -2.508059114e-02 5.54 -2.388710500e-02 -2.388710500e-02 5.56 -2.272275397e-02 -2.272275397e-02 5.58 -2.158335699e-02 -2.158335699e-02 5.60 -2.046555476e-02 -2.046555476e-02 5.62 -1.936681634e-02 -1.936681634e-02 5.64 -1.828544830e-02 -1.828544830e-02 5.66 -1.722060029e-02 -1.722060029e-02 5.68 -1.617226028e-02 -1.617226028e-02 5.70 -1.514123216e-02 -1.514123216e-02 5.72 -1.412908907e-02 -1.412908907e-02 5.74 -1.313809706e-02 -1.313809706e-02 5.76 -1.217110622e-02 -1.217110622e-02 5.78 -1.123134581e-02 -1.123134581e-02 5.80 -1.032235509e-02 -1.032235509e-02 5.82 -9.447825920e-03 -9.447825920e-03 5.84 -8.611338614e-03 -8.611338614e-03 5.86 -7.816172886e-03 -7.816172886e-03 5.88 -7.065139242e-03 -7.065139242e-03 5.90 -6.360443134e-03 -6.360443134e-03 5.92 -5.703590818e-03 -5.703590818e-03 5.94 -5.095341379e-03 -5.095341379e-03 5.96 -4.535704638e-03 -4.535704638e-03 5.98 -4.023980358e-03 -4.023980358e-03 6.00 -3.558830870e-03 -3.558830870e-03