# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Pb # implementation = 2026--Park-J-H--Fe-Cu-Pb--LAMMPS--ipr1 # composition = Cu2Pb # 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 2026-06-16 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 6.256221635e+02 0.80 5.901760273e+02 0.82 5.566746635e+02 0.84 5.250116484e+02 0.86 4.950865427e+02 0.88 4.668045359e+02 0.90 4.400761111e+02 0.92 4.148167336e+02 0.94 3.909465580e+02 0.96 3.683901548e+02 0.98 3.470762533e+02 1.00 3.269375017e+02 1.02 3.079102411e+02 1.04 2.899342947e+02 1.06 2.729527688e+02 1.08 2.569118669e+02 1.10 2.417607145e+02 1.12 2.274511950e+02 1.14 2.139377949e+02 1.16 2.011774590e+02 1.18 1.891294534e+02 1.20 1.777552375e+02 1.22 1.670183423e+02 1.24 1.568842572e+02 1.26 1.473203224e+02 1.28 1.382956278e+02 1.30 1.297809179e+02 1.32 1.217485019e+02 1.34 1.141721689e+02 1.36 1.070271082e+02 1.38 1.002898337e+02 1.40 9.393811277e+01 1.42 8.795089919e+01 1.44 8.230826949e+01 1.46 7.699136309e+01 1.48 7.198232561e+01 1.50 6.726425536e+01 1.52 6.282115268e+01 1.54 5.863787214e+01 1.56 5.470007717e+01 1.58 5.099419740e+01 1.60 4.750738798e+01 1.62 4.422749140e+01 1.64 4.114300112e+01 1.66 3.824302726e+01 1.68 3.551726410e+01 1.70 3.295595931e+01 1.72 3.054988476e+01 1.74 2.829030894e+01 1.76 2.616897085e+01 1.78 2.417805514e+01 1.80 2.231016875e+01 1.82 2.055831857e+01 1.84 1.891589047e+01 1.86 1.737662925e+01 1.88 1.593461978e+01 1.90 1.458426903e+01 1.92 1.332028910e+01 1.94 1.213768107e+01 1.96 1.103171978e+01 1.98 9.997939309e+00 2.00 9.032119270e+00 2.02 8.130271804e+00 2.04 7.288628337e+00 2.06 6.501692365e+00 2.08 5.756312124e+00 2.10 5.071617249e+00 2.12 4.439705371e+00 2.14 3.851883262e+00 2.16 3.305492147e+00 2.18 2.798022201e+00 2.20 2.327104630e+00 2.22 1.890504134e+00 2.24 1.486111779e+00 2.26 1.111938209e+00 2.28 7.661072302e-01 2.30 4.468497056e-01 2.32 1.524977808e-01 2.34 -1.185206033e-01 2.36 -3.676869096e-01 2.38 -5.963969321e-01 2.40 -8.059654732e-01 2.42 -9.976307695e-01 2.44 -1.172558695e+00 2.46 -1.331846737e+00 2.48 -1.476527770e+00 2.50 -1.607573626e+00 2.52 -1.725898480e+00 2.54 -1.832362059e+00 2.56 -1.927772675e+00 2.58 -2.012890104e+00 2.60 -2.088428308e+00 2.62 -2.155058014e+00 2.64 -2.213409156e+00 2.66 -2.264073182e+00 2.68 -2.307605246e+00 2.70 -2.344526273e+00 2.72 -2.375324919e+00 2.74 -2.400459424e+00 2.76 -2.420359361e+00 2.78 -2.435427297e+00 2.80 -2.446040357e+00 2.82 -2.452551708e+00 2.84 -2.455291957e+00 2.86 -2.454570477e+00 2.88 -2.450676656e+00 2.90 -2.443881084e+00 2.92 -2.434436661e+00 2.94 -2.422579663e+00 2.96 -2.408530728e+00 2.98 -2.392495804e+00 3.00 -2.374667034e+00 3.02 -2.355223594e+00 3.04 -2.334332486e+00 3.06 -2.312149281e+00 3.08 -2.288818827e+00 3.10 -2.264475910e+00 3.12 -2.239245881e+00 3.14 -2.213245244e+00 3.16 -2.186582215e+00 3.18 -2.159357244e+00 3.20 -2.131663506e+00 3.22 -2.103587369e+00 3.24 -2.075208825e+00 3.26 -2.046601907e+00 3.28 -2.017835068e+00 3.30 -1.988971549e+00 3.32 -1.960069716e+00 3.34 -1.931183379e+00 3.36 -1.902362091e+00 3.38 -1.873651413e+00 3.40 -1.844988895e+00 3.42 -1.815447971e+00 3.44 -1.783318708e+00 3.46 -1.749932188e+00 3.48 -1.722153425e+00 3.50 -1.695043834e+00 3.52 -1.668278774e+00 3.54 -1.641879839e+00 3.56 -1.615866410e+00 3.58 -1.590255769e+00 3.60 -1.565063218e+00 3.62 -1.540302168e+00 3.64 -1.515984226e+00 3.66 -1.492119267e+00 3.68 -1.468715490e+00 3.70 -1.445779465e+00 3.72 -1.423316166e+00 3.74 -1.401328993e+00 3.76 -1.379819782e+00 3.78 -1.358788801e+00 3.80 -1.338234740e+00 3.82 -1.318154687e+00 3.84 -1.298544099e+00 3.86 -1.279396759e+00 3.88 -1.260704740e+00 3.90 -1.242458354e+00 3.92 -1.222271029e+00 3.94 -1.169636975e+00 3.96 -1.000180168e+00 3.98 -5.784886255e-01 4.00 -2.851548161e-22 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00