# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Smirnova-D-E-Kuksin-A-Y-Starikov-S-V-et-al--U-Mo-Xe # implementation = 2013--Smirnova-D-E--U-Mo-Xe--LAMMPS--ipr1 # composition = UXe2 # 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 2022-05-24 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 nan 0.92 nan 0.94 nan 0.96 1.306189234e+04 0.98 1.221599507e+04 1.00 1.143998251e+04 1.02 1.071901491e+04 1.04 1.004131824e+04 1.06 9.397694921e+03 1.08 8.779390657e+03 1.10 8.180331691e+03 1.12 7.596372007e+03 1.14 7.024175879e+03 1.16 6.459251223e+03 1.18 5.819489782e+03 1.20 5.348609462e+03 1.22 4.936877975e+03 1.24 4.577054132e+03 1.26 4.261614085e+03 1.28 3.984379963e+03 1.30 3.737553521e+03 1.32 3.514047875e+03 1.34 3.309425300e+03 1.36 3.120887452e+03 1.38 2.945622236e+03 1.40 2.780738221e+03 1.42 2.623368412e+03 1.44 2.470729262e+03 1.46 2.320518722e+03 1.48 2.172110324e+03 1.50 2.025113927e+03 1.52 1.879159434e+03 1.54 1.734022964e+03 1.56 1.589515023e+03 1.58 1.445435058e+03 1.60 1.301671410e+03 1.62 1.158162313e+03 1.64 1.014259164e+03 1.66 8.235281295e+02 1.68 7.005798227e+02 1.70 5.930261222e+02 1.72 4.996297479e+02 1.74 4.191529396e+02 1.76 3.503886587e+02 1.78 2.921250088e+02 1.80 2.431183240e+02 1.82 2.021049728e+02 1.84 1.678619834e+02 1.86 1.392157352e+02 1.88 1.154104351e+02 1.90 9.593538909e+01 1.92 8.025137353e+01 1.94 6.782277048e+01 1.96 5.813820738e+01 1.98 5.069950815e+01 2.00 4.501676732e+01 2.02 4.059690165e+01 2.04 3.694430450e+01 2.06 3.375861472e+01 2.08 3.097943759e+01 2.10 2.856235981e+01 2.12 2.646051573e+01 2.14 2.463461348e+01 2.16 2.305331384e+01 2.18 2.168415641e+01 2.20 2.049016710e+01 2.22 1.940631433e+01 2.24 1.840670221e+01 2.26 1.746209603e+01 2.28 1.655203002e+01 2.30 1.566292815e+01 2.32 1.477839031e+01 2.34 1.389018910e+01 2.36 1.299819637e+01 2.38 1.211807697e+01 2.40 1.126892902e+01 2.42 1.030310927e+01 2.44 9.520954282e+00 2.46 8.802740706e+00 2.48 8.146531542e+00 2.50 7.547398401e+00 2.52 6.999552667e+00 2.54 6.495247636e+00 2.56 6.024184810e+00 2.58 5.576410792e+00 2.60 5.149823453e+00 2.62 4.747801963e+00 2.64 4.372347311e+00 2.66 4.022044667e+00 2.68 3.693824624e+00 2.70 3.382213497e+00 2.72 3.083839304e+00 2.74 2.799369649e+00 2.76 2.531108290e+00 2.78 2.283961369e+00 2.80 2.064516200e+00 2.82 1.876172462e+00 2.84 1.719128082e+00 2.86 1.593694433e+00 2.88 1.500564227e+00 2.90 1.439835422e+00 2.92 1.407867238e+00 2.94 1.399120297e+00 2.96 1.406668737e+00 2.98 1.422111612e+00 3.00 1.435801811e+00 3.02 1.438169351e+00 3.04 1.425156246e+00 3.06 1.399273767e+00 3.08 1.364245493e+00 3.10 1.324231865e+00 3.12 1.281782727e+00 3.14 1.240053511e+00 3.16 1.202346833e+00 3.18 1.171096378e+00 3.20 1.148628581e+00 3.22 1.137469916e+00 3.24 1.139942710e+00 3.26 1.147679088e+00 3.28 1.154127920e+00 3.30 1.157368802e+00 3.32 1.156499724e+00 3.34 1.151608701e+00 3.36 1.143528460e+00 3.38 1.133535258e+00 3.40 1.122883190e+00 3.42 1.112285879e+00 3.44 1.101589751e+00 3.46 1.089827792e+00 3.48 1.075304401e+00 3.50 1.056014880e+00 3.52 1.030288350e+00 3.54 9.976588987e-01 3.56 9.603444695e-01 3.58 9.231466059e-01 3.60 8.887813395e-01 3.62 8.591040093e-01 3.64 8.357260356e-01 3.66 8.200558336e-01 3.68 8.131335407e-01 3.70 8.136679412e-01 3.72 8.193784383e-01 3.74 8.279599358e-01 3.76 8.370115509e-01 3.78 8.439939253e-01 3.80 8.462976898e-01 3.82 8.458314264e-01 3.84 8.440762277e-01 3.86 8.408828791e-01 3.88 8.359830026e-01 3.90 8.290606577e-01 3.92 8.198786487e-01 3.94 8.082141401e-01 3.96 7.938509743e-01 3.98 7.765759773e-01 4.00 7.561785675e-01 4.02 7.324414166e-01 4.04 7.051239554e-01 4.06 6.739718326e-01 4.08 6.389283891e-01 4.10 6.007239532e-01 4.12 5.602538714e-01 4.14 5.184035950e-01 4.16 4.760554075e-01 4.18 4.340958738e-01 4.20 3.934296317e-01 4.22 3.549941945e-01 4.24 3.197801106e-01 4.26 2.888533364e-01 4.28 2.633783266e-01 4.30 2.438588034e-01 4.32 2.302872513e-01 4.34 2.237499459e-01 4.36 2.240678631e-01 4.38 2.299373460e-01 4.40 2.394009994e-01 4.42 2.502386915e-01 4.44 2.602804731e-01 4.46 2.676840129e-01 4.48 2.711826770e-01 4.50 2.700879890e-01 4.52 2.649290296e-01 4.54 2.569328972e-01 4.56 2.472359764e-01 4.58 2.367414284e-01 4.60 2.260783194e-01 4.62 2.156323577e-01 4.64 2.056092399e-01 4.66 1.961015706e-01 4.68 1.872366397e-01 4.70 1.792456058e-01 4.72 1.724473256e-01 4.74 1.670098323e-01 4.76 1.631625736e-01 4.78 1.612361314e-01 4.80 1.615937824e-01 4.82 1.645442249e-01 4.84 1.702510593e-01 4.86 1.786122418e-01 4.88 1.891482353e-01 4.90 2.009370489e-01 4.92 2.126087289e-01 4.94 2.227552773e-01 4.96 2.304785461e-01 4.98 2.350715847e-01 5.00 2.359980422e-01 5.02 2.330431570e-01 5.04 2.264863711e-01 5.06 2.168092546e-01 5.08 2.045819227e-01 5.10 1.903981624e-01 5.12 1.748270582e-01 5.14 1.583788655e-01 5.16 1.414758879e-01 5.18 1.244812429e-01 5.20 1.077576777e-01 5.22 9.168536540e-02 5.24 7.664550114e-02 5.26 6.303288820e-02 5.28 5.126006776e-02 5.30 4.176134304e-02 5.32 3.499611987e-02 5.34 3.145240293e-02 5.36 3.159191694e-02 5.38 3.477934835e-02 5.40 3.913663217e-02 5.42 4.427180131e-02 5.44 4.986800618e-02 5.46 5.561654661e-02 5.48 6.122415532e-02 5.50 6.642282922e-02 5.52 7.097916497e-02 5.54 7.470284017e-02 5.56 7.745582770e-02 5.58 7.919495707e-02 5.60 7.999847498e-02 5.62 7.998888165e-02 5.64 7.931429731e-02 5.66 7.813829533e-02 5.68 7.662883312e-02 5.70 7.494587865e-02 5.72 7.322884799e-02 5.74 7.158308395e-02 5.76 7.006649142e-02 5.78 6.868647050e-02 5.80 6.754300885e-02 5.82 6.672146559e-02 5.84 6.614007966e-02 5.86 6.559723744e-02 5.88 6.483067840e-02 5.90 6.357500949e-02 5.92 6.160983412e-02 5.94 5.879261525e-02 5.96 5.507229288e-02 5.98 5.048267745e-02 6.00 4.513326022e-02