# 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 = AuPd2Ta # 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 3.918612099e+02 3.918612099e+02 1.30 3.642446944e+02 3.642446944e+02 1.32 3.386203430e+02 3.386203430e+02 1.34 3.148279935e+02 3.148279935e+02 1.36 2.927186126e+02 2.927186126e+02 1.38 2.721552690e+02 2.721552690e+02 1.40 2.530140398e+02 2.530140398e+02 1.42 2.351838442e+02 2.351838442e+02 1.44 2.185656314e+02 2.185656314e+02 1.46 2.030716365e+02 2.030716365e+02 1.48 1.886243372e+02 1.886243372e+02 1.50 1.751543768e+02 1.751543768e+02 1.52 1.625977475e+02 1.625977475e+02 1.54 1.508933834e+02 1.508933834e+02 1.56 1.399819916e+02 1.399819916e+02 1.58 1.298061132e+02 1.298061132e+02 1.60 1.203108677e+02 1.203108677e+02 1.62 1.114447593e+02 1.114447593e+02 1.64 1.031602011e+02 1.031602011e+02 1.66 9.541371091e+01 9.541371091e+01 1.68 8.816580953e+01 8.816580953e+01 1.70 8.138062731e+01 8.138062731e+01 1.72 7.502530891e+01 7.502530891e+01 1.74 6.906943588e+01 6.906943588e+01 1.76 6.348478177e+01 6.348478177e+01 1.78 5.824856813e+01 5.824856813e+01 1.80 5.333915478e+01 5.333915478e+01 1.82 4.874354937e+01 4.874354937e+01 1.84 4.445143576e+01 4.445143576e+01 1.86 4.046536322e+01 4.046536322e+01 1.88 3.676616773e+01 3.676616773e+01 1.90 3.333543413e+01 3.333543413e+01 1.92 3.015631772e+01 3.015631772e+01 1.94 2.721324514e+01 2.721324514e+01 1.96 2.449165593e+01 2.449165593e+01 1.98 2.197776229e+01 2.197776229e+01 2.00 1.965832384e+01 1.965832384e+01 2.02 1.752046845e+01 1.752046845e+01 2.04 1.555160608e+01 1.555160608e+01 2.06 1.373945872e+01 1.373945872e+01 2.08 1.207218252e+01 1.207218252e+01 2.10 1.053852700e+01 1.053852700e+01 2.12 9.127976021e+00 9.127976021e+00 2.14 7.830837367e+00 7.830837367e+00 2.16 6.638271783e+00 6.638271783e+00 2.18 5.542268725e+00 5.542268725e+00 2.20 4.535584306e+00 4.535584306e+00 2.22 3.611657989e+00 3.611657989e+00 2.24 2.764521303e+00 2.764521303e+00 2.26 1.988707208e+00 1.988707208e+00 2.28 1.279165446e+00 1.279165446e+00 2.30 6.311881124e-01 6.311881124e-01 2.32 4.034978466e-02 4.034978466e-02 2.34 -4.975339279e-01 -4.975339279e-01 2.36 -9.864277543e-01 -9.864277543e-01 2.38 -1.430080251e+00 -1.430080251e+00 2.40 -1.832015847e+00 -1.832015847e+00 2.42 -2.195420058e+00 -2.195420058e+00 2.44 -2.523359316e+00 -2.523359316e+00 2.46 -2.818855032e+00 -2.818855032e+00 2.48 -3.084657526e+00 -3.084657526e+00 2.50 -3.323269865e+00 -3.323269865e+00 2.52 -3.536968838e+00 -3.536968838e+00 2.54 -3.727797507e+00 -3.727797507e+00 2.56 -3.897362032e+00 -3.897362032e+00 2.58 -4.047033000e+00 -4.047033000e+00 2.60 -4.178135249e+00 -4.178135249e+00 2.62 -4.291930855e+00 -4.291930855e+00 2.64 -4.389608088e+00 -4.389608088e+00 2.66 -4.472276551e+00 -4.472276551e+00 2.68 -4.540966259e+00 -4.540966259e+00 2.70 -4.596629813e+00 -4.596629813e+00 2.72 -4.640147298e+00 -4.640147298e+00 2.74 -4.672333320e+00 -4.672333320e+00 2.76 -4.693945346e+00 -4.693945346e+00 2.78 -4.705692592e+00 -4.705692592e+00 2.80 -4.708246303e+00 -4.708246303e+00 2.82 -4.702313433e+00 -4.702313433e+00 2.84 -4.688695076e+00 -4.688695076e+00 2.86 -4.668405723e+00 -4.668405723e+00 2.88 -4.641719219e+00 -4.641719219e+00 2.90 -4.608916997e+00 -4.608916997e+00 2.92 -4.570331101e+00 -4.570331101e+00 2.94 -4.526330897e+00 -4.526330897e+00 2.96 -4.477307665e+00 -4.477307665e+00 2.98 -4.423655416e+00 -4.423655416e+00 3.00 -4.365753292e+00 -4.365753292e+00 3.02 -4.303994923e+00 -4.303994923e+00 3.04 -4.238798509e+00 -4.238798509e+00 3.06 -4.170539861e+00 -4.170539861e+00 3.08 -4.099549359e+00 -4.099549359e+00 3.10 -4.026117075e+00 -4.026117075e+00 3.12 -3.950498575e+00 -3.950498575e+00 3.14 -3.872921209e+00 -3.872921209e+00 3.16 -3.793590996e+00 -3.793590996e+00 3.18 -3.712700184e+00 -3.712700184e+00 3.20 -3.630435232e+00 -3.630435232e+00 3.22 -3.546984652e+00 -3.546984652e+00 3.24 -3.462545890e+00 -3.462545890e+00 3.26 -3.377330370e+00 -3.377330370e+00 3.28 -3.291565888e+00 -3.291565888e+00 3.30 -3.205495828e+00 -3.205495828e+00 3.32 -3.119375071e+00 -3.119375071e+00 3.34 -3.033462936e+00 -3.033462936e+00 3.36 -2.948013990e+00 -2.948013990e+00 3.38 -2.863267886e+00 -2.863267886e+00 3.40 -2.779439568e+00 -2.779439568e+00 3.42 -2.696711070e+00 -2.696711070e+00 3.44 -2.615225818e+00 -2.615225818e+00 3.46 -2.535085907e+00 -2.535085907e+00 3.48 -2.456352368e+00 -2.456352368e+00 3.50 -2.379048057e+00 -2.379048057e+00 3.52 -2.303162573e+00 -2.303162573e+00 3.54 -2.228658530e+00 -2.228658530e+00 3.56 -2.155478564e+00 -2.155478564e+00 3.58 -2.083552565e+00 -2.083552565e+00 3.60 -2.012804777e+00 -2.012804777e+00 3.62 -1.943160522e+00 -1.943160522e+00 3.64 -1.874552403e+00 -1.874552403e+00 3.66 -1.806925874e+00 -1.806925874e+00 3.68 -1.740244031e+00 -1.740244031e+00 3.70 -1.674491497e+00 -1.674491497e+00 3.72 -1.609677156e+00 -1.609677156e+00 3.74 -1.545835543e+00 -1.545835543e+00 3.76 -1.483026644e+00 -1.483026644e+00 3.78 -1.421333965e+00 -1.421333965e+00 3.80 -1.360860846e+00 -1.360860846e+00 3.82 -1.301725154e+00 -1.301725154e+00 3.84 -1.244052714e+00 -1.244052714e+00 3.86 -1.187969992e+00 -1.187969992e+00 3.88 -1.133596688e+00 -1.133596688e+00 3.90 -1.081038922e+00 -1.081038922e+00 3.92 -1.030383650e+00 -1.030383650e+00 3.94 -9.816947837e-01 -9.816947837e-01 3.96 -9.350112609e-01 -9.350112609e-01 3.98 -8.903470838e-01 -8.903470838e-01 4.00 -8.476930953e-01 -8.476930953e-01 4.02 -8.070200941e-01 -8.070200941e-01 4.04 -7.682827775e-01 -7.682827775e-01 4.06 -7.314239722e-01 -7.314239722e-01 4.08 -6.963786591e-01 -6.963786591e-01 4.10 -6.630774036e-01 -6.630774036e-01 4.12 -6.314489626e-01 -6.314489626e-01 4.14 -6.014219715e-01 -6.014219715e-01 4.16 -5.729258225e-01 -5.729258225e-01 4.18 -5.458909053e-01 -5.458909053e-01 4.20 -5.202484679e-01 -5.202484679e-01 4.22 -4.959303430e-01 -4.959303430e-01 4.24 -4.728687198e-01 -4.728687198e-01 4.26 -4.509960606e-01 -4.509960606e-01 4.28 -4.302451683e-01 -4.302451683e-01 4.30 -4.105493534e-01 -4.105493534e-01 4.32 -3.918426233e-01 -3.918426233e-01 4.34 -3.740598322e-01 -3.740598322e-01 4.36 -3.571367628e-01 -3.571367628e-01 4.38 -3.410101568e-01 -3.410101568e-01 4.40 -3.256177375e-01 -3.256177375e-01 4.42 -3.108982863e-01 -3.108982863e-01 4.44 -2.967918234e-01 -2.967918234e-01 4.46 -2.832399276e-01 -2.832399276e-01 4.48 -2.701862028e-01 -2.701862028e-01 4.50 -2.575768803e-01 -2.575768803e-01 4.52 -2.453615270e-01 -2.453615270e-01 4.54 -2.334938235e-01 -2.334938235e-01 4.56 -2.219323741e-01 -2.219323741e-01 4.58 -2.106415060e-01 -2.106415060e-01 4.60 -1.995920148e-01 -1.995920148e-01 4.62 -1.887618082e-01 -1.887618082e-01 4.64 -1.781363942e-01 -1.781363942e-01 4.66 -1.677091518e-01 -1.677091518e-01 4.68 -1.574813249e-01 -1.574813249e-01 4.70 -1.474616847e-01 -1.474616847e-01 4.72 -1.376658252e-01 -1.376658252e-01 4.74 -1.281150875e-01 -1.281150875e-01 4.76 -1.188351468e-01 -1.188351468e-01 4.78 -1.098543422e-01 -1.098543422e-01 4.80 -1.012018653e-01 -1.012018653e-01 4.82 -9.290595851e-02 -9.290595851e-02 4.84 -8.499225796e-02 -8.499225796e-02 4.86 -7.748243235e-02 -7.748243235e-02 4.88 -7.039319419e-02 -7.039319419e-02 4.90 -6.373573282e-02 -6.373573282e-02 4.92 -5.751556609e-02 -5.751556609e-02 4.94 -5.173274109e-02 -5.173274109e-02 4.96 -4.638230299e-02 -4.638230299e-02 4.98 -4.145492685e-02 -4.145492685e-02 5.00 -3.693761897e-02 -3.693761897e-02 5.02 -3.281442207e-02 -3.281442207e-02 5.04 -2.906679666e-02 -2.906679666e-02 5.06 -2.567463019e-02 -2.567463019e-02 5.08 -2.261707916e-02 -2.261707916e-02 5.10 -1.987227502e-02 -1.987227502e-02 5.12 -1.741788186e-02 -1.741788186e-02 5.14 -1.523161905e-02 -1.523161905e-02 5.16 -1.329138966e-02 -1.329138966e-02 5.18 -1.157556679e-02 -1.157556679e-02 5.20 -1.006324069e-02 -1.006324069e-02 5.22 -8.734424804e-03 -8.734424804e-03 5.24 -7.570219891e-03 -7.570219891e-03 5.26 -6.552935634e-03 -6.552935634e-03 5.28 -5.666170591e-03 -5.666170591e-03 5.30 -4.894852999e-03 -4.894852999e-03 5.32 -4.225246529e-03 -4.225246529e-03 5.34 -3.644926206e-03 -3.644926206e-03 5.36 -3.142730306e-03 -3.142730306e-03 5.38 -2.708694125e-03 -2.708694125e-03 5.40 -2.333971176e-03 -2.333971176e-03 5.42 -2.010746758e-03 -2.010746758e-03 5.44 -1.732148056e-03 -1.732148056e-03 5.46 -1.492154107e-03 -1.492154107e-03 5.48 -1.285508180e-03 -1.285508180e-03 5.50 -1.107634380e-03 -1.107634380e-03 5.52 -9.545596864e-04 -9.545596864e-04 5.54 -8.228421314e-04 -8.228421314e-04 5.56 -7.095054233e-04 -7.095054233e-04 5.58 -6.119800350e-04 -6.119800350e-04 5.60 -5.280505644e-04 -5.280505644e-04 5.62 -4.558090316e-04 -4.558090316e-04 5.64 -3.936136906e-04 -3.936136906e-04 5.66 -3.400528896e-04 -3.400528896e-04 5.68 -2.939134957e-04 -2.939134957e-04 5.70 -2.541534086e-04 -2.541534086e-04 5.72 -2.198777067e-04 -2.198777067e-04 5.74 -1.903179987e-04 -1.903179987e-04 5.76 -1.648145898e-04 -1.648145898e-04 5.78 -1.428011054e-04 -1.428011054e-04 5.80 -1.237912546e-04 -1.237912546e-04 5.82 -1.073674492e-04 -1.073674492e-04 5.84 -9.317102792e-05 -9.317102792e-05 5.86 -8.089386701e-05 -8.089386701e-05 5.88 -7.027118354e-05 -7.027118354e-05 5.90 -6.107536614e-05 -6.107536614e-05 5.92 -5.311068767e-05 -5.311068767e-05 5.94 -4.620877480e-05 -4.620877480e-05 5.96 -4.022472668e-05 -4.022472668e-05 5.98 -3.503378988e-05 -3.503378988e-05 6.00 -3.052850964e-05 -3.052850964e-05