# 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 = AgPdTa2 # 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 3.868368983e+02 3.868368983e+02 1.30 3.593024584e+02 3.593024584e+02 1.32 3.337909887e+02 3.337909887e+02 1.34 3.101417753e+02 3.101417753e+02 1.36 2.882037189e+02 2.882037189e+02 1.38 2.678360236e+02 2.678360236e+02 1.40 2.489096271e+02 2.489096271e+02 1.42 2.313082565e+02 2.313082565e+02 1.44 2.149283785e+02 2.149283785e+02 1.46 1.996779678e+02 1.996779678e+02 1.48 1.854745505e+02 1.854745505e+02 1.50 1.722431500e+02 1.722431500e+02 1.52 1.599145963e+02 1.599145963e+02 1.54 1.484243796e+02 1.484243796e+02 1.56 1.377120589e+02 1.377120589e+02 1.58 1.277211289e+02 1.277211289e+02 1.60 1.183991370e+02 1.183991370e+02 1.62 1.096977970e+02 1.096977970e+02 1.64 1.015729395e+02 1.015729395e+02 1.66 9.398426763e+01 9.398426763e+01 1.68 8.689495992e+01 8.689495992e+01 1.70 8.027117914e+01 8.027117914e+01 1.72 7.408154904e+01 7.408154904e+01 1.74 6.829668522e+01 6.829668522e+01 1.76 6.288886999e+01 6.288886999e+01 1.78 5.783190495e+01 5.783190495e+01 1.80 5.310110088e+01 5.310110088e+01 1.82 4.867336554e+01 4.867336554e+01 1.84 4.453315058e+01 4.453315058e+01 1.86 4.066459985e+01 4.066459985e+01 1.88 3.704902124e+01 3.704902124e+01 1.90 3.367057942e+01 3.367057942e+01 1.92 3.052765993e+01 3.052765993e+01 1.94 2.761013970e+01 2.761013970e+01 1.96 2.490465214e+01 2.490465214e+01 1.98 2.239866450e+01 2.239866450e+01 2.00 2.008009228e+01 2.008009228e+01 2.02 1.793703665e+01 1.793703665e+01 2.04 1.595770524e+01 1.595770524e+01 2.06 1.413050497e+01 1.413050497e+01 2.08 1.244423471e+01 1.244423471e+01 2.10 1.088828852e+01 1.088828852e+01 2.12 9.452804965e+00 9.452804965e+00 2.14 8.128739199e+00 8.128739199e+00 2.16 6.907865476e+00 6.907865476e+00 2.18 5.782730489e+00 5.782730489e+00 2.20 4.746577026e+00 4.746577026e+00 2.22 3.793251599e+00 3.793251599e+00 2.24 2.917104536e+00 2.917104536e+00 2.26 2.112889048e+00 2.112889048e+00 2.28 1.375666474e+00 1.375666474e+00 2.30 7.007265916e-01 7.007265916e-01 2.32 8.353245216e-02 8.353245216e-02 2.34 -4.803029636e-01 -4.803029636e-01 2.36 -9.950065090e-01 -9.950065090e-01 2.38 -1.464607264e+00 -1.464607264e+00 2.40 -1.892885385e+00 -1.892885385e+00 2.42 -2.283324912e+00 -2.283324912e+00 2.44 -2.639085533e+00 -2.639085533e+00 2.46 -2.963000268e+00 -2.963000268e+00 2.48 -3.257596269e+00 -3.257596269e+00 2.50 -3.525064396e+00 -3.525064396e+00 2.52 -3.767254422e+00 -3.767254422e+00 2.54 -3.986221726e+00 -3.986221726e+00 2.56 -4.183829708e+00 -4.183829708e+00 2.58 -4.361738216e+00 -4.361738216e+00 2.60 -4.521437585e+00 -4.521437585e+00 2.62 -4.664276199e+00 -4.664276199e+00 2.64 -4.791480388e+00 -4.791480388e+00 2.66 -4.904046388e+00 -4.904046388e+00 2.68 -5.002546947e+00 -5.002546947e+00 2.70 -5.087513713e+00 -5.087513713e+00 2.72 -5.159497548e+00 -5.159497548e+00 2.74 -5.219050507e+00 -5.219050507e+00 2.76 -5.266715102e+00 -5.266715102e+00 2.78 -5.303019035e+00 -5.303019035e+00 2.80 -5.328473850e+00 -5.328473850e+00 2.82 -5.343576340e+00 -5.343576340e+00 2.84 -5.348811784e+00 -5.348811784e+00 2.86 -5.344658065e+00 -5.344658065e+00 2.88 -5.331589602e+00 -5.331589602e+00 2.90 -5.310079938e+00 -5.310079938e+00 2.92 -5.280601996e+00 -5.280601996e+00 2.94 -5.243625537e+00 -5.243625537e+00 2.96 -5.199673615e+00 -5.199673615e+00 2.98 -5.149443182e+00 -5.149443182e+00 3.00 -5.093264212e+00 -5.093264212e+00 3.02 -5.031417066e+00 -5.031417066e+00 3.04 -4.964176587e+00 -4.964176587e+00 3.06 -4.891808413e+00 -4.891808413e+00 3.08 -4.814567937e+00 -4.814567937e+00 3.10 -4.732702058e+00 -4.732702058e+00 3.12 -4.646453775e+00 -4.646453775e+00 3.14 -4.556071279e+00 -4.556071279e+00 3.16 -4.461837771e+00 -4.461837771e+00 3.18 -4.364073821e+00 -4.364073821e+00 3.20 -4.263171655e+00 -4.263171655e+00 3.22 -4.159571113e+00 -4.159571113e+00 3.24 -4.053642406e+00 -4.053642406e+00 3.26 -3.945820623e+00 -3.945820623e+00 3.28 -3.836603881e+00 -3.836603881e+00 3.30 -3.726539616e+00 -3.726539616e+00 3.32 -3.616204126e+00 -3.616204126e+00 3.34 -3.506176931e+00 -3.506176931e+00 3.36 -3.397012552e+00 -3.397012552e+00 3.38 -3.289214319e+00 -3.289214319e+00 3.40 -3.183214761e+00 -3.183214761e+00 3.42 -3.079352509e+00 -3.079352509e+00 3.44 -2.977860849e+00 -2.977860849e+00 3.46 -2.878866060e+00 -2.878866060e+00 3.48 -2.782393090e+00 -2.782393090e+00 3.50 -2.688377062e+00 -2.688377062e+00 3.52 -2.596678744e+00 -2.596678744e+00 3.54 -2.507102168e+00 -2.507102168e+00 3.56 -2.419412880e+00 -2.419412880e+00 3.58 -2.333355698e+00 -2.333355698e+00 3.60 -2.248671346e+00 -2.248671346e+00 3.62 -2.165111634e+00 -2.165111634e+00 3.64 -2.082453084e+00 -2.082453084e+00 3.66 -2.000508990e+00 -2.000508990e+00 3.68 -1.919139840e+00 -1.919139840e+00 3.70 -1.838261907e+00 -1.838261907e+00 3.72 -1.757853658e+00 -1.757853658e+00 3.74 -1.677959503e+00 -1.677959503e+00 3.76 -1.598690322e+00 -1.598690322e+00 3.78 -1.520220317e+00 -1.520220317e+00 3.80 -1.442779911e+00 -1.442779911e+00 3.82 -1.366644769e+00 -1.366644769e+00 3.84 -1.292121488e+00 -1.292121488e+00 3.86 -1.219530900e+00 -1.219530900e+00 3.88 -1.149190339e+00 -1.149190339e+00 3.90 -1.081396402e+00 -1.081396402e+00 3.92 -1.016409714e+00 -1.016409714e+00 3.94 -9.544429469e-01 -9.544429469e-01 3.96 -8.956529258e-01 -8.956529258e-01 3.98 -8.401371229e-01 -8.401371229e-01 4.00 -7.879343300e-01 -7.879343300e-01 4.02 -7.390288691e-01 -7.390288691e-01 4.04 -6.933574244e-01 -6.933574244e-01 4.06 -6.508174613e-01 -6.508174613e-01 4.08 -6.112762362e-01 -6.112762362e-01 4.10 -5.745795523e-01 -5.745795523e-01 4.12 -5.405596540e-01 -5.405596540e-01 4.14 -5.090418656e-01 -5.090418656e-01 4.16 -4.798498798e-01 -4.798498798e-01 4.18 -4.528097220e-01 -4.528097220e-01 4.20 -4.277525817e-01 -4.277525817e-01 4.22 -4.045167412e-01 -4.045167412e-01 4.24 -3.829488297e-01 -3.829488297e-01 4.26 -3.629045885e-01 -3.629045885e-01 4.28 -3.442492714e-01 -3.442492714e-01 4.30 -3.268577566e-01 -3.268577566e-01 4.32 -3.106144100e-01 -3.106144100e-01 4.34 -2.954127314e-01 -2.954127314e-01 4.36 -2.811548222e-01 -2.811548222e-01 4.38 -2.677507268e-01 -2.677507268e-01 4.40 -2.551177177e-01 -2.551177177e-01 4.42 -2.431795808e-01 -2.431795808e-01 4.44 -2.318659856e-01 -2.318659856e-01 4.46 -2.211119772e-01 -2.211119772e-01 4.48 -2.108575797e-01 -2.108575797e-01 4.50 -2.010473761e-01 -2.010473761e-01 4.52 -1.916311161e-01 -1.916311161e-01 4.54 -1.825632714e-01 -1.825632714e-01 4.56 -1.738029859e-01 -1.738029859e-01 4.58 -1.653145589e-01 -1.653145589e-01 4.60 -1.570675486e-01 -1.570675486e-01 4.62 -1.490368853e-01 -1.490368853e-01 4.64 -1.412030164e-01 -1.412030164e-01 4.66 -1.335519449e-01 -1.335519449e-01 4.68 -1.260751293e-01 -1.260751293e-01 4.70 -1.187692154e-01 -1.187692154e-01 4.72 -1.116355814e-01 -1.116355814e-01 4.74 -1.046796942e-01 -1.046796942e-01 4.76 -9.791029864e-02 -9.791029864e-02 4.78 -9.133848142e-02 -9.133848142e-02 4.80 -8.497667581e-02 -8.497667581e-02 4.82 -7.883768800e-02 -7.883768800e-02 4.84 -7.293381071e-02 -7.293381071e-02 4.86 -6.727610788e-02 -6.727610788e-02 4.88 -6.187389871e-02 -6.187389871e-02 4.90 -5.673445889e-02 -5.673445889e-02 4.92 -5.186292010e-02 -5.186292010e-02 4.94 -4.726232496e-02 -4.726232496e-02 4.96 -4.293377193e-02 -4.293377193e-02 4.98 -3.887661273e-02 -3.887661273e-02 5.00 -3.508863622e-02 -3.508863622e-02 5.02 -3.156621113e-02 -3.156621113e-02 5.04 -2.830438540e-02 -2.830438540e-02 5.06 -2.529692439e-02 -2.529692439e-02 5.08 -2.253633145e-02 -2.253633145e-02 5.10 -2.001387206e-02 -2.001387206e-02 5.12 -1.771961868e-02 -1.771961868e-02 5.14 -1.564223037e-02 -1.564223037e-02 5.16 -1.376975235e-02 -1.376975235e-02 5.18 -1.208965597e-02 -1.208965597e-02 5.20 -1.058876753e-02 -1.058876753e-02 5.22 -9.253541092e-03 -9.253541092e-03 5.24 -8.070327671e-03 -8.070327671e-03 5.26 -7.025625748e-03 -7.025625748e-03 5.28 -6.106301358e-03 -6.106301358e-03 5.30 -5.299770024e-03 -5.299770024e-03 5.32 -4.594137095e-03 -4.594137095e-03 5.34 -3.978296657e-03 -3.978296657e-03 5.36 -3.441991998e-03 -3.441991998e-03 5.38 -2.975842411e-03 -2.975842411e-03 5.40 -2.571342099e-03 -2.571342099e-03 5.42 -2.220837143e-03 -2.220837143e-03 5.44 -1.917486251e-03 -1.917486251e-03 5.46 -1.655210370e-03 -1.655210370e-03 5.48 -1.428635480e-03 -1.428635480e-03 5.50 -1.233032061e-03 -1.233032061e-03 5.52 -1.064253940e-03 -1.064253940e-03 5.54 -9.186785265e-04 -9.186785265e-04 5.56 -7.931498135e-04 -7.931498135e-04 5.58 -6.849250634e-04 -6.849250634e-04 5.60 -5.916256921e-04 -5.916256921e-04 5.62 -5.111925746e-04 -5.111925746e-04 5.64 -4.418457856e-04 -4.418457856e-04 5.66 -3.820486354e-04 -3.820486354e-04 5.68 -3.304757666e-04 -3.304757666e-04 5.70 -2.859850171e-04 -2.859850171e-04 5.72 -2.475927265e-04 -2.475927265e-04 5.74 -2.144521518e-04 -2.144521518e-04 5.76 -1.858346673e-04 -1.858346673e-04 5.78 -1.611134354e-04 -1.611134354e-04 5.80 -1.397492600e-04 -1.397492600e-04 5.82 -1.212783535e-04 -1.212783535e-04 5.84 -1.053017776e-04 -1.053017776e-04 5.86 -9.147634096e-05 -9.147634096e-05 5.88 -7.950676172e-05 -7.950676172e-05 5.90 -6.913892560e-05 -6.913892560e-05 5.92 -6.015408998e-05 -6.015408998e-05 5.94 -5.236390455e-05 -5.236390455e-05 5.96 -4.560613494e-05 -4.560613494e-05 5.98 -3.974099139e-05 -3.974099139e-05 6.00 -3.464797727e-05 -3.464797727e-05