# 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 = Cu2Sn # 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 5.171971066e+02 0.80 4.847865799e+02 0.82 4.543799261e+02 0.84 4.258506668e+02 0.86 3.990806104e+02 0.88 3.739592894e+02 0.90 3.503834373e+02 0.92 3.282565006e+02 0.94 3.074881856e+02 0.96 2.879940352e+02 0.98 2.696950357e+02 1.00 2.525172505e+02 1.02 2.363914794e+02 1.04 2.212529406e+02 1.06 2.070409761e+02 1.08 1.936987762e+02 1.10 1.811731238e+02 1.12 1.694141558e+02 1.14 1.583751423e+02 1.16 1.480122789e+02 1.18 1.382844957e+02 1.20 1.291532777e+02 1.22 1.205824985e+02 1.24 1.125382649e+02 1.26 1.049887726e+02 1.28 9.790417163e+01 1.30 9.125644057e+01 1.32 8.501926990e+01 1.34 7.916795282e+01 1.36 7.367928372e+01 1.38 6.853146327e+01 1.40 6.370400998e+01 1.42 5.917767765e+01 1.44 5.493437825e+01 1.46 5.095710999e+01 1.48 4.722989001e+01 1.50 4.373769157e+01 1.52 4.046638532e+01 1.54 3.740268432e+01 1.56 3.453409272e+01 1.58 3.184885761e+01 1.60 2.933592406e+01 1.62 2.698489294e+01 1.64 2.478598149e+01 1.66 2.272998628e+01 1.68 2.080824856e+01 1.70 1.901262176e+01 1.72 1.733544099e+01 1.74 1.576949446e+01 1.76 1.430799661e+01 1.78 1.294456291e+01 1.80 1.167318622e+01 1.82 1.048821456e+01 1.84 9.384330226e+00 1.86 8.356530160e+00 1.88 7.400107523e+00 1.90 6.510634347e+00 1.92 5.683945224e+00 1.94 4.916121977e+00 1.96 4.203317610e+00 1.98 3.532352569e+00 2.00 2.901845422e+00 2.02 2.339960642e+00 2.04 1.820243941e+00 2.06 1.338820074e+00 2.08 8.864716865e-01 2.10 4.747533835e-01 2.12 9.923641159e-02 2.14 -2.461186605e-01 2.16 -5.632834997e-01 2.18 -8.541100046e-01 2.20 -1.120337314e+00 2.22 -1.363598420e+00 2.24 -1.585426392e+00 2.26 -1.787260256e+00 2.28 -1.970450518e+00 2.30 -2.136264383e+00 2.32 -2.285890673e+00 2.34 -2.420444451e+00 2.36 -2.540971390e+00 2.38 -2.648451884e+00 2.40 -2.743956840e+00 2.42 -2.834657563e+00 2.44 -2.928713256e+00 2.46 -2.994165101e+00 2.48 -3.045423147e+00 2.50 -3.088655700e+00 2.52 -3.124460696e+00 2.54 -3.153397825e+00 2.56 -3.175990810e+00 2.58 -3.192729550e+00 2.60 -3.204072143e+00 2.62 -3.210446800e+00 2.64 -3.212253636e+00 2.66 -3.209866379e+00 2.68 -3.203633961e+00 2.70 -3.193882031e+00 2.72 -3.180914377e+00 2.74 -3.165014266e+00 2.76 -3.146445703e+00 2.78 -3.125454625e+00 2.80 -3.102270019e+00 2.82 -3.077104974e+00 2.84 -3.050157679e+00 2.86 -3.021612354e+00 2.88 -2.991640132e+00 2.90 -2.960399884e+00 2.92 -2.928039002e+00 2.94 -2.894694126e+00 2.96 -2.860491840e+00 2.98 -2.825549314e+00 3.00 -2.789974915e+00 3.02 -2.753868781e+00 3.04 -2.717323355e+00 3.06 -2.680423895e+00 3.08 -2.643248946e+00 3.10 -2.605870785e+00 3.12 -2.568355841e+00 3.14 -2.530765088e+00 3.16 -2.493154412e+00 3.18 -2.455574959e+00 3.20 -2.418073457e+00 3.22 -2.380692522e+00 3.24 -2.343470943e+00 3.26 -2.306443947e+00 3.28 -2.269643452e+00 3.30 -2.233098301e+00 3.32 -2.196834481e+00 3.34 -2.160875329e+00 3.36 -2.125241723e+00 3.38 -2.089952076e+00 3.40 -2.053783184e+00 3.42 -2.004920265e+00 3.44 -1.918539380e+00 3.46 -1.803789712e+00 3.48 -1.766141958e+00 3.50 -1.734366528e+00 3.52 -1.703075064e+00 3.54 -1.672270363e+00 3.56 -1.641954155e+00 3.58 -1.612127197e+00 3.60 -1.582789353e+00 3.62 -1.553939676e+00 3.64 -1.525576478e+00 3.66 -1.497697404e+00 3.68 -1.470299492e+00 3.70 -1.443379233e+00 3.72 -1.416932626e+00 3.74 -1.390955235e+00 3.76 -1.365442228e+00 3.78 -1.340388429e+00 3.80 -1.315788356e+00 3.82 -1.291636260e+00 3.84 -1.267926161e+00 3.86 -1.244651878e+00 3.88 -1.221807065e+00 3.90 -1.199385231e+00 3.92 -1.175123357e+00 3.94 -1.120038409e+00 3.96 -9.539302717e-01 3.98 -5.488904515e-01 4.00 -2.786375895e-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