# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Ko-W-S-Lee-J-S-Kim-D-H--Ag-Cu-Sn # implementation = 2021--Ko-W-S--Ag-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 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 3.503834372e+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 2.363914793e+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 1.583751422e+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 2.080824855e+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 9.384330224e+00 1.86 8.356530159e+00 1.88 7.400107523e+00 1.90 6.510634345e+00 1.92 5.683945224e+00 1.94 4.916121976e+00 1.96 4.203479220e+00 1.98 3.542550794e+00 2.00 2.930076967e+00 2.02 2.362992430e+00 2.04 1.838414953e+00 2.06 1.353634732e+00 2.08 9.061043498e-01 2.10 4.934293099e-01 2.12 1.133591368e-01 2.14 -2.362210164e-01 2.16 -5.572982800e-01 2.18 -8.517395084e-01 2.20 -1.121298305e+00 2.22 -1.367621636e+00 2.24 -1.592256062e+00 2.26 -1.796653615e+00 2.28 -1.982177332e+00 2.30 -2.150106478e+00 2.32 -2.301641465e+00 2.34 -2.437908483e+00 2.36 -2.559963876e+00 2.38 -2.668798261e+00 2.40 -2.765340406e+00 2.42 -2.850460895e+00 2.44 -2.924975576e+00 2.46 -2.989599930e+00 2.48 -3.040721081e+00 2.50 -3.064338781e+00 2.52 -3.103458530e+00 2.54 -3.135428678e+00 2.56 -3.160793176e+00 2.58 -3.180153931e+00 2.60 -3.194702311e+00 2.62 -3.203624838e+00 2.64 -3.207185318e+00 2.66 -3.206383800e+00 2.68 -3.201581564e+00 2.70 -3.193115751e+00 2.72 -3.181300849e+00 2.74 -3.166430085e+00 2.76 -3.148776748e+00 2.78 -3.128595425e+00 2.80 -3.106123164e+00 2.82 -3.081580571e+00 2.84 -3.055172844e+00 2.86 -3.027090739e+00 2.88 -2.997511485e+00 2.90 -2.966599639e+00 2.92 -2.934507895e+00 2.94 -2.901377841e+00 2.96 -2.867340671e+00 2.98 -2.832517856e+00 3.00 -2.797021774e+00 3.02 -2.760841497e+00 3.04 -2.722472030e+00 3.06 -2.680535246e+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 -2.089952265e+00 3.40 -2.055023447e+00 3.42 -2.020469809e+00 3.44 -1.986304085e+00 3.46 -1.952537343e+00 3.48 -1.919179110e+00 3.50 -1.886237497e+00 3.52 -1.853719305e+00 3.54 -1.821630131e+00 3.56 -1.789974469e+00 3.58 -1.758755794e+00 3.60 -1.727976654e+00 3.62 -1.697638742e+00 3.64 -1.667742973e+00 3.66 -1.638289550e+00 3.68 -1.609278031e+00 3.70 -1.580707381e+00 3.72 -1.552576033e+00 3.74 -1.524881937e+00 3.76 -1.497622605e+00 3.78 -1.470795157e+00 3.80 -1.444396357e+00 3.82 -1.418422658e+00 3.84 -1.392870230e+00 3.86 -1.367734993e+00 3.88 -1.343012649e+00 3.90 -1.318698707e+00 3.92 -1.294788509e+00 3.94 -1.271277252e+00 3.96 -1.248160010e+00 3.98 -1.225431756e+00 4.00 -1.203087372e+00 4.02 -1.181121675e+00 4.04 -1.159529427e+00 4.06 -1.138305347e+00 4.08 -1.117444128e+00 4.10 -1.096940445e+00 4.12 -1.076788967e+00 4.14 -1.056984366e+00 4.16 -1.037521324e+00 4.18 -1.018394543e+00 4.20 -9.995987497e-01 4.22 -9.811287045e-01 4.24 -9.629792039e-01 4.26 -9.449369671e-01 4.28 -9.227753348e-01 4.30 -8.847127880e-01 4.32 -8.268742722e-01 4.34 -7.994930085e-01 4.36 -7.849587523e-01 4.38 -7.706925352e-01 4.40 -7.566888786e-01 4.42 -7.429424120e-01 4.44 -7.294478740e-01 4.46 -7.162001116e-01 4.48 -7.031940805e-01 4.50 -6.904248443e-01 4.52 -6.778875736e-01 4.54 -6.655775454e-01 4.56 -6.534901422e-01 4.58 -6.416208500e-01 4.60 -6.299652579e-01 4.62 -6.185190561e-01 4.64 -6.072780344e-01 4.66 -5.962380806e-01 4.68 -5.853951791e-01 4.70 -5.747454085e-01 4.72 -5.642849404e-01 4.74 -5.540100370e-01 4.76 -5.439170496e-01 4.78 -5.340024167e-01 4.80 -5.242626614e-01 4.82 -5.146943905e-01 4.84 -5.052942917e-01 4.86 -4.960591318e-01 4.88 -4.869857551e-01 4.90 -4.780710812e-01 4.92 -4.682448788e-01 4.94 -4.439456815e-01 4.96 -3.698301358e-01 4.98 -2.011407520e-01 5.00 -8.167231860e-23 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