# 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-Sn # implementation = 2026--Park-J-H--Fe-Cu-Sn--LAMMPS--ipr1 # composition = Fe2Sn # 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 6.899185258e+02 0.80 6.489530459e+02 0.82 6.102947591e+02 0.84 5.738177851e+02 0.86 5.394029658e+02 0.88 5.069375127e+02 0.90 4.763146711e+02 0.92 4.474334035e+02 0.94 4.201980871e+02 0.96 3.945182296e+02 0.98 3.703081978e+02 1.00 3.474869613e+02 1.02 3.259778495e+02 1.04 3.057083209e+02 1.06 2.866097445e+02 1.08 2.686171931e+02 1.10 2.516692468e+02 1.12 2.357078069e+02 1.14 2.206779200e+02 1.16 2.065276104e+02 1.18 1.932077223e+02 1.20 1.806717696e+02 1.22 1.688757935e+02 1.24 1.577782281e+02 1.26 1.473397727e+02 1.28 1.375232710e+02 1.30 1.282935963e+02 1.32 1.196175429e+02 1.34 1.114637237e+02 1.36 1.038024724e+02 1.38 9.660575133e+01 1.40 8.984706421e+01 1.42 8.350137306e+01 1.44 7.754502002e+01 1.46 7.195565297e+01 1.48 6.671215519e+01 1.50 6.179457880e+01 1.52 5.718408157e+01 1.54 5.286286728e+01 1.56 4.881412905e+01 1.58 4.502199587e+01 1.60 4.147148177e+01 1.62 3.814843788e+01 1.64 3.503950688e+01 1.66 3.213208006e+01 1.68 2.941425646e+01 1.70 2.687480436e+01 1.72 2.450312475e+01 1.74 2.228921672e+01 1.76 2.022364483e+01 1.78 1.829750808e+01 1.80 1.650241062e+01 1.82 1.483043402e+01 1.84 1.327411105e+01 1.86 1.182640081e+01 1.88 1.048066525e+01 1.90 9.230646933e+00 1.92 8.070448016e+00 1.94 6.994510334e+00 1.96 5.997596528e+00 1.98 5.074768923e+00 2.00 4.221376020e+00 2.02 3.433058098e+00 2.04 2.705681425e+00 2.06 2.035356263e+00 2.08 1.418380768e+00 2.10 8.514123718e-01 2.12 3.312010705e-01 2.14 -1.453263692e-01 2.16 -5.810347881e-01 2.18 -9.786186832e-01 2.20 -1.340611825e+00 2.22 -1.669396362e+00 2.24 -1.967211413e+00 2.26 -2.236161201e+00 2.28 -2.478222724e+00 2.30 -2.695253019e+00 2.32 -2.888996016e+00 2.34 -3.061089017e+00 2.36 -3.213068817e+00 2.38 -3.346377485e+00 2.40 -3.462367840e+00 2.42 -3.562309136e+00 2.44 -3.647392205e+00 2.46 -3.718728261e+00 2.48 -3.777362562e+00 2.50 -3.824274447e+00 2.52 -3.860379957e+00 2.54 -3.886536474e+00 2.56 -3.903546172e+00 2.58 -3.912159272e+00 2.60 -3.913077115e+00 2.62 -3.906955065e+00 2.64 -3.894405241e+00 2.66 -3.875999105e+00 2.68 -3.852269888e+00 2.70 -3.823714896e+00 2.72 -3.790797669e+00 2.74 -3.753950030e+00 2.76 -3.713574006e+00 2.78 -3.670043646e+00 2.80 -3.623706734e+00 2.82 -3.574886400e+00 2.84 -3.523882642e+00 2.86 -3.470973757e+00 2.88 -3.416417693e+00 2.90 -3.360453319e+00 2.92 -3.303301623e+00 2.94 -3.245166838e+00 2.96 -3.186237508e+00 2.98 -3.126687485e+00 3.00 -3.066676869e+00 3.02 -3.006352895e+00 3.04 -2.945850767e+00 3.06 -2.885294440e+00 3.08 -2.824797360e+00 3.10 -2.764463155e+00 3.12 -2.704386287e+00 3.14 -2.644652667e+00 3.16 -2.585340230e+00 3.18 -2.526519476e+00 3.20 -2.468253979e+00 3.22 -2.410600862e+00 3.24 -2.353611251e+00 3.26 -2.297330691e+00 3.28 -2.241799544e+00 3.30 -2.187053358e+00 3.32 -2.133123215e+00 3.34 -2.080036058e+00 3.36 -2.027814997e+00 3.38 -1.976479555e+00 3.40 -1.925795936e+00 3.42 -1.873524636e+00 3.44 -1.815626595e+00 3.46 -1.755047391e+00 3.48 -1.708546740e+00 3.50 -1.663833178e+00 3.52 -1.620043154e+00 3.54 -1.577175126e+00 3.56 -1.535226049e+00 3.58 -1.494191504e+00 3.60 -1.454065828e+00 3.62 -1.414842225e+00 3.64 -1.376512875e+00 3.66 -1.339069042e+00 3.68 -1.302501158e+00 3.70 -1.266798919e+00 3.72 -1.231951362e+00 3.74 -1.197946942e+00 3.76 -1.164773601e+00 3.78 -1.132418835e+00 3.80 -1.100869754e+00 3.82 -1.070113138e+00 3.84 -1.040135486e+00 3.86 -1.010923069e+00 3.88 -9.824619690e-01 3.90 -9.547381238e-01 3.92 -9.263309962e-01 3.94 -8.792179327e-01 3.96 -7.601801816e-01 3.98 -4.603064306e-01 4.00 -3.570472891e-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