# 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 = Fe2Pb # 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 4.991081397e+02 0.80 4.693749789e+02 0.82 4.413138151e+02 0.84 4.148337394e+02 0.86 3.898486764e+02 0.88 3.662771318e+02 0.90 3.440419520e+02 0.92 3.230700974e+02 0.94 3.032924262e+02 0.96 2.846434903e+02 0.98 2.670613411e+02 1.00 2.504873459e+02 1.02 2.348660135e+02 1.04 2.201448288e+02 1.06 2.062740963e+02 1.08 1.932067911e+02 1.10 1.808984187e+02 1.12 1.693068808e+02 1.14 1.583923491e+02 1.16 1.481171452e+02 1.18 1.384456268e+02 1.20 1.293440799e+02 1.22 1.207806167e+02 1.24 1.127250784e+02 1.26 1.051489438e+02 1.28 9.802524221e+01 1.30 9.132847060e+01 1.32 8.503451596e+01 1.34 7.912058094e+01 1.36 7.356511381e+01 1.38 6.834774189e+01 1.40 6.344920862e+01 1.42 5.885131380e+01 1.44 5.453685708e+01 1.46 5.048958436e+01 1.48 4.669413704e+01 1.50 4.313600393e+01 1.52 3.980147569e+01 1.54 3.667760171e+01 1.56 3.375214921e+01 1.58 3.101356455e+01 1.60 2.845093657e+01 1.62 2.605396184e+01 1.64 2.381291183e+01 1.66 2.171860172e+01 1.68 1.976236095e+01 1.70 1.793600528e+01 1.72 1.623181038e+01 1.74 1.464248676e+01 1.76 1.316115611e+01 1.78 1.178132885e+01 1.80 1.049688290e+01 1.82 9.302043567e+00 1.84 8.191364544e+00 1.86 7.159709864e+00 1.88 6.202236880e+00 1.90 5.314380122e+00 1.92 4.491836035e+00 1.94 3.730548533e+00 1.96 3.026694582e+00 1.98 2.376621294e+00 2.00 1.776884008e+00 2.02 1.224558250e+00 2.04 7.164665895e-01 2.06 2.497751625e-01 2.08 -1.781839637e-01 2.10 -5.699220533e-01 2.12 -9.278024701e-01 2.14 -1.254048967e+00 2.16 -1.550753522e+00 2.18 -1.819883757e+00 2.20 -2.063289938e+00 2.22 -2.282711609e+00 2.24 -2.479783850e+00 2.26 -2.656043202e+00 2.28 -2.812933264e+00 2.30 -2.951809982e+00 2.32 -3.073946650e+00 2.34 -3.180538634e+00 2.36 -3.272707838e+00 2.38 -3.351506922e+00 2.40 -3.417927859e+00 2.42 -3.473108804e+00 2.44 -3.518438562e+00 2.46 -3.553348857e+00 2.48 -3.578874227e+00 2.50 -3.596102566e+00 2.52 -3.605701667e+00 2.54 -3.608296433e+00 2.56 -3.604471401e+00 2.58 -3.594773121e+00 2.60 -3.579712401e+00 2.62 -3.559766429e+00 2.64 -3.535380770e+00 2.66 -3.506971256e+00 2.68 -3.474925768e+00 2.70 -3.439605916e+00 2.72 -3.401348621e+00 2.74 -3.360467617e+00 2.76 -3.317254854e+00 2.78 -3.271981831e+00 2.80 -3.224900850e+00 2.82 -3.176246198e+00 2.84 -3.126235260e+00 2.86 -3.075069569e+00 2.88 -3.022935798e+00 2.90 -2.970006689e+00 2.92 -2.916441934e+00 2.94 -2.862389001e+00 2.96 -2.807983913e+00 2.98 -2.753351986e+00 3.00 -2.698608511e+00 3.02 -2.643859416e+00 3.04 -2.589201869e+00 3.06 -2.534724857e+00 3.08 -2.480509730e+00 3.10 -2.426630708e+00 3.12 -2.373155363e+00 3.14 -2.320145068e+00 3.16 -2.267655423e+00 3.18 -2.215736650e+00 3.20 -2.164433973e+00 3.22 -2.113787964e+00 3.24 -2.063834878e+00 3.26 -2.014606960e+00 3.28 -1.966132739e+00 3.30 -1.918437298e+00 3.32 -1.871542534e+00 3.34 -1.825467398e+00 3.36 -1.780228118e+00 3.38 -1.735838353e+00 3.40 -1.691937554e+00 3.42 -1.645178414e+00 3.44 -1.589248460e+00 3.46 -1.527950766e+00 3.48 -1.488496443e+00 3.50 -1.451312248e+00 3.52 -1.414991556e+00 3.54 -1.379532485e+00 3.56 -1.344932275e+00 3.58 -1.311187368e+00 3.60 -1.278293489e+00 3.62 -1.246245709e+00 3.64 -1.215038513e+00 3.66 -1.184665855e+00 3.68 -1.155121211e+00 3.70 -1.126397622e+00 3.72 -1.098487738e+00 3.74 -1.071383848e+00 3.76 -1.045077911e+00 3.78 -1.019561580e+00 3.80 -9.948262151e-01 3.82 -9.708628991e-01 3.84 -9.476624391e-01 3.86 -9.252153665e-01 3.88 -9.035119283e-01 3.90 -8.825420723e-01 3.92 -8.612456073e-01 3.94 -8.259464592e-01 3.96 -7.320375035e-01 3.98 -4.654145036e-01 4.00 -3.625563136e-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