# 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 = MoPd2Zr # 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 3.771597516e+02 3.771597516e+02 1.30 3.507401642e+02 3.507401642e+02 1.32 3.262117103e+02 3.262117103e+02 1.34 3.034245846e+02 3.034245846e+02 1.36 2.822446173e+02 2.822446173e+02 1.38 2.625507028e+02 2.625507028e+02 1.40 2.442320140e+02 2.442320140e+02 1.42 2.271858572e+02 2.271858572e+02 1.44 2.113168516e+02 2.113168516e+02 1.46 1.965367376e+02 1.965367376e+02 1.48 1.827640446e+02 1.827640446e+02 1.50 1.699237764e+02 1.699237764e+02 1.52 1.579472761e+02 1.579472761e+02 1.54 1.467718116e+02 1.467718116e+02 1.56 1.363398006e+02 1.363398006e+02 1.58 1.265977532e+02 1.265977532e+02 1.60 1.174955488e+02 1.174955488e+02 1.62 1.089862629e+02 1.089862629e+02 1.64 1.010264753e+02 1.010264753e+02 1.66 9.357651192e+01 9.357651192e+01 1.68 8.660042614e+01 8.660042614e+01 1.70 8.006567650e+01 8.006567650e+01 1.72 7.394264351e+01 7.394264351e+01 1.74 6.820422480e+01 6.820422480e+01 1.76 6.282567088e+01 6.282567088e+01 1.78 5.778457891e+01 5.778457891e+01 1.80 5.306083030e+01 5.306083030e+01 1.82 4.863635908e+01 4.863635908e+01 1.84 4.449499481e+01 4.449499481e+01 1.86 4.062246071e+01 4.062246071e+01 1.88 3.701154607e+01 3.701154607e+01 1.90 3.366875434e+01 3.366875434e+01 1.92 3.057625268e+01 3.057625268e+01 1.94 2.771490396e+01 2.771490396e+01 1.96 2.506681773e+01 2.506681773e+01 1.98 2.261558691e+01 2.261558691e+01 2.00 2.034630513e+01 2.034630513e+01 2.02 1.824541553e+01 1.824541553e+01 2.04 1.630050184e+01 1.630050184e+01 2.06 1.450009749e+01 1.450009749e+01 2.08 1.283354047e+01 1.283354047e+01 2.10 1.129089686e+01 1.129089686e+01 2.12 9.862902876e+00 9.862902876e+00 2.14 8.540951065e+00 8.540951065e+00 2.16 7.317086995e+00 7.317086995e+00 2.18 6.184007750e+00 6.184007750e+00 2.20 5.135061300e+00 5.135061300e+00 2.22 4.164215274e+00 4.164215274e+00 2.24 3.266012921e+00 3.266012921e+00 2.26 2.435520657e+00 2.435520657e+00 2.28 1.668263552e+00 1.668263552e+00 2.30 9.601845303e-01 9.601845303e-01 2.32 3.075753234e-01 3.075753234e-01 2.34 -2.929852262e-01 -2.929852262e-01 2.36 -8.446930431e-01 -8.446930431e-01 2.38 -1.350576797e+00 -1.350576797e+00 2.40 -1.813544628e+00 -1.813544628e+00 2.42 -2.236421306e+00 -2.236421306e+00 2.44 -2.621962163e+00 -2.621962163e+00 2.46 -2.972856205e+00 -2.972856205e+00 2.48 -3.291704858e+00 -3.291704858e+00 2.50 -3.580984756e+00 -3.580984756e+00 2.52 -3.843002389e+00 -3.843002389e+00 2.54 -4.079852760e+00 -4.079852760e+00 2.56 -4.293393446e+00 -4.293393446e+00 2.58 -4.485270063e+00 -4.485270063e+00 2.60 -4.656917554e+00 -4.656917554e+00 2.62 -4.809467370e+00 -4.809467370e+00 2.64 -4.943897526e+00 -4.943897526e+00 2.66 -5.061040402e+00 -5.061040402e+00 2.68 -5.161872722e+00 -5.161872722e+00 2.70 -5.247347938e+00 -5.247347938e+00 2.72 -5.318389208e+00 -5.318389208e+00 2.74 -5.375803293e+00 -5.375803293e+00 2.76 -5.420243351e+00 -5.420243351e+00 2.78 -5.452364072e+00 -5.452364072e+00 2.80 -5.472834332e+00 -5.472834332e+00 2.82 -5.482301323e+00 -5.482301323e+00 2.84 -5.481294013e+00 -5.481294013e+00 2.86 -5.470320285e+00 -5.470320285e+00 2.88 -5.449927976e+00 -5.449927976e+00 2.90 -5.420705314e+00 -5.420705314e+00 2.92 -5.383279274e+00 -5.383279274e+00 2.94 -5.338309926e+00 -5.338309926e+00 2.96 -5.286604814e+00 -5.286604814e+00 2.98 -5.229365429e+00 -5.229365429e+00 3.00 -5.167079912e+00 -5.167079912e+00 3.02 -5.100159711e+00 -5.100159711e+00 3.04 -5.029018180e+00 -5.029018180e+00 3.06 -4.954063888e+00 -4.954063888e+00 3.08 -4.875669275e+00 -4.875669275e+00 3.10 -4.794174913e+00 -4.794174913e+00 3.12 -4.709880013e+00 -4.709880013e+00 3.14 -4.623063117e+00 -4.623063117e+00 3.16 -4.534022761e+00 -4.534022761e+00 3.18 -4.443042652e+00 -4.443042652e+00 3.20 -4.350370596e+00 -4.350370596e+00 3.22 -4.256228608e+00 -4.256228608e+00 3.24 -4.160823427e+00 -4.160823427e+00 3.26 -4.064357161e+00 -4.064357161e+00 3.28 -3.967037090e+00 -3.967037090e+00 3.30 -3.869083221e+00 -3.869083221e+00 3.32 -3.770732382e+00 -3.770732382e+00 3.34 -3.672238382e+00 -3.672238382e+00 3.36 -3.573868811e+00 -3.573868811e+00 3.38 -3.475899759e+00 -3.475899759e+00 3.40 -3.378608772e+00 -3.378608772e+00 3.42 -3.282273797e+00 -3.282273797e+00 3.44 -3.187160503e+00 -3.187160503e+00 3.46 -3.093522507e+00 -3.093522507e+00 3.48 -3.001594785e+00 -3.001594785e+00 3.50 -2.911588364e+00 -2.911588364e+00 3.52 -2.823685167e+00 -2.823685167e+00 3.54 -2.738033553e+00 -2.738033553e+00 3.56 -2.654745123e+00 -2.654745123e+00 3.58 -2.573893201e+00 -2.573893201e+00 3.60 -2.495513172e+00 -2.495513172e+00 3.62 -2.419604589e+00 -2.419604589e+00 3.64 -2.346134788e+00 -2.346134788e+00 3.66 -2.275043627e+00 -2.275043627e+00 3.68 -2.206248968e+00 -2.206248968e+00 3.70 -2.139652521e+00 -2.139652521e+00 3.72 -2.075145773e+00 -2.075145773e+00 3.74 -2.012615738e+00 -2.012615738e+00 3.76 -1.951950329e+00 -1.951950329e+00 3.78 -1.893043124e+00 -1.893043124e+00 3.80 -1.835797296e+00 -1.835797296e+00 3.82 -1.780128432e+00 -1.780128432e+00 3.84 -1.725965996e+00 -1.725965996e+00 3.86 -1.673253302e+00 -1.673253302e+00 3.88 -1.621946015e+00 -1.621946015e+00 3.90 -1.572009493e+00 -1.572009493e+00 3.92 -1.523413674e+00 -1.523413674e+00 3.94 -1.476137343e+00 -1.476137343e+00 3.96 -1.430153591e+00 -1.430153591e+00 3.98 -1.385436712e+00 -1.385436712e+00 4.00 -1.341959668e+00 -1.341959668e+00 4.02 -1.299694834e+00 -1.299694834e+00 4.04 -1.258615364e+00 -1.258615364e+00 4.06 -1.218696695e+00 -1.218696695e+00 4.08 -1.179917714e+00 -1.179917714e+00 4.10 -1.142257380e+00 -1.142257380e+00 4.12 -1.105710849e+00 -1.105710849e+00 4.14 -1.070262616e+00 -1.070262616e+00 4.16 -1.035903165e+00 -1.035903165e+00 4.18 -1.002622257e+00 -1.002622257e+00 4.20 -9.704070801e-01 -9.704070801e-01 4.22 -9.392406951e-01 -9.392406951e-01 4.24 -9.091009663e-01 -9.091009663e-01 4.26 -8.799600779e-01 -8.799600779e-01 4.28 -8.517846219e-01 -8.517846219e-01 4.30 -8.245361634e-01 -8.245361634e-01 4.32 -7.981721388e-01 -7.981721388e-01 4.34 -7.726469334e-01 -7.726469334e-01 4.36 -7.479129990e-01 -7.479129990e-01 4.38 -7.239219105e-01 -7.239219105e-01 4.40 -7.006253018e-01 -7.006253018e-01 4.42 -6.779756588e-01 -6.779756588e-01 4.44 -6.559269777e-01 -6.559269777e-01 4.46 -6.344353184e-01 -6.344353184e-01 4.48 -6.134592893e-01 -6.134592893e-01 4.50 -5.929605043e-01 -5.929605043e-01 4.52 -5.729040453e-01 -5.729040453e-01 4.54 -5.532589556e-01 -5.532589556e-01 4.56 -5.339987726e-01 -5.339987726e-01 4.58 -5.151020945e-01 -5.151020945e-01 4.60 -4.965531536e-01 -4.965531536e-01 4.62 -4.783423509e-01 -4.783423509e-01 4.64 -4.604666901e-01 -4.604666901e-01 4.66 -4.429300317e-01 -4.429300317e-01 4.68 -4.257430875e-01 -4.257430875e-01 4.70 -4.089230802e-01 -4.089230802e-01 4.72 -3.924930129e-01 -3.924930129e-01 4.74 -3.764805307e-01 -3.764805307e-01 4.76 -3.609164024e-01 -3.609164024e-01 4.78 -3.458327027e-01 -3.458327027e-01 4.80 -3.312576795e-01 -3.312576795e-01 4.82 -3.172268724e-01 -3.172268724e-01 4.84 -3.037607213e-01 -3.037607213e-01 4.86 -2.908774462e-01 -2.908774462e-01 4.88 -2.785882041e-01 -2.785882041e-01 4.90 -2.668965480e-01 -2.668965480e-01 4.92 -2.557984027e-01 -2.557984027e-01 4.94 -2.452825034e-01 -2.452825034e-01 4.96 -2.353312017e-01 -2.353312017e-01 4.98 -2.259215227e-01 -2.259215227e-01 5.00 -2.170263528e-01 -2.170263528e-01 5.02 -2.086156460e-01 -2.086156460e-01 5.04 -2.006574053e-01 -2.006574053e-01 5.06 -1.931189591e-01 -1.931189591e-01 5.08 -1.859679488e-01 -1.859679488e-01 5.10 -1.791726842e-01 -1.791726842e-01 5.12 -1.727026942e-01 -1.727026942e-01 5.14 -1.665291197e-01 -1.665291197e-01 5.16 -1.606249754e-01 -1.606249754e-01 5.18 -1.549653075e-01 -1.549653075e-01 5.20 -1.495272783e-01 -1.495272783e-01 5.22 -1.442902001e-01 -1.442902001e-01 5.24 -1.392355402e-01 -1.392355402e-01 5.26 -1.343469108e-01 -1.343469108e-01 5.28 -1.296100552e-01 -1.296100552e-01 5.30 -1.250128325e-01 -1.250128325e-01 5.32 -1.205452010e-01 -1.205452010e-01 5.34 -1.161991943e-01 -1.161991943e-01 5.36 -1.119688785e-01 -1.119688785e-01 5.38 -1.078502827e-01 -1.078502827e-01 5.40 -1.038412821e-01 -1.038412821e-01 5.42 -9.994142715e-02 -9.994142715e-02 5.44 -9.615170986e-02 -9.615170986e-02 5.46 -9.247426804e-02 -9.247426804e-02 5.48 -8.891203150e-02 -8.891203150e-02 5.50 -8.546833106e-02 -8.546833106e-02 5.52 -8.214649776e-02 -8.214649776e-02 5.54 -7.894947472e-02 -7.894947472e-02 5.56 -7.587947398e-02 -7.587947398e-02 5.58 -7.293770402e-02 -7.293770402e-02 5.60 -7.012409411e-02 -7.012409411e-02 5.62 -6.743729023e-02 -6.743729023e-02 5.64 -6.487488260e-02 -6.487488260e-02 5.66 -6.243323709e-02 -6.243323709e-02 5.68 -6.010764433e-02 -6.010764433e-02 5.70 -5.789251493e-02 -5.789251493e-02 5.72 -5.578159217e-02 -5.578159217e-02 5.74 -5.376816358e-02 -5.376816358e-02 5.76 -5.184525672e-02 -5.184525672e-02 5.78 -5.000580986e-02 -5.000580986e-02 5.80 -4.824281268e-02 -4.824281268e-02 5.82 -4.654941612e-02 -4.654941612e-02 5.84 -4.491901324e-02 -4.491901324e-02 5.86 -4.334529476e-02 -4.334529476e-02 5.88 -4.182228419e-02 -4.182228419e-02 5.90 -4.034435726e-02 -4.034435726e-02 5.92 -3.890625098e-02 -3.890625098e-02 5.94 -3.750306645e-02 -3.750306645e-02 5.96 -3.613026956e-02 -3.613026956e-02 5.98 -3.478369286e-02 -3.478369286e-02 6.00 -3.345953950e-02 -3.345953950e-02