# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Fraile-A-Cuesta-Lopez-S-Caro-A-et-al--Pb-Li # implementation = 2014--Fraile-A--Pb-Li--LAMMPS--ipr1 # composition = LiPb2 # 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 2025-12-17 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 nan 0.98 5.548207269e+02 1.00 5.095464579e+02 1.02 4.688883089e+02 1.04 4.315150777e+02 1.06 3.975129674e+02 1.08 3.664039708e+02 1.10 3.378998695e+02 1.12 3.117751781e+02 1.14 2.877125629e+02 1.16 2.650877467e+02 1.18 2.434394631e+02 1.20 2.230845493e+02 1.22 2.064158454e+02 1.24 1.910717806e+02 1.26 1.767879173e+02 1.28 1.638357701e+02 1.30 1.518057150e+02 1.32 1.406695421e+02 1.34 1.303751292e+02 1.36 1.205749181e+02 1.38 1.112043270e+02 1.40 1.021660950e+02 1.42 9.446088891e+01 1.44 8.781946154e+01 1.46 8.143723309e+01 1.48 7.550469332e+01 1.50 7.007205756e+01 1.52 6.500415627e+01 1.54 6.027713872e+01 1.56 5.589668227e+01 1.58 5.182111918e+01 1.60 4.803733354e+01 1.62 4.454138639e+01 1.64 4.131813580e+01 1.66 3.835752107e+01 1.68 3.558006121e+01 1.70 3.299433470e+01 1.72 3.059140042e+01 1.74 2.837825426e+01 1.76 2.629634127e+01 1.78 2.435809771e+01 1.80 2.256236330e+01 1.82 2.091682759e+01 1.84 1.936416028e+01 1.86 1.789866140e+01 1.88 1.652272470e+01 1.90 1.522697976e+01 1.92 1.401162082e+01 1.94 1.289665860e+01 1.96 1.184626461e+01 1.98 1.087124906e+01 2.00 9.965567526e+00 2.02 9.124584000e+00 2.04 8.344794766e+00 2.06 7.620654979e+00 2.08 6.948117873e+00 2.10 6.323610298e+00 2.12 5.750545743e+00 2.14 5.210002705e+00 2.16 4.700373298e+00 2.18 4.205514422e+00 2.20 3.705916011e+00 2.22 3.161360203e+00 2.24 2.609588549e+00 2.26 1.957566926e+00 2.28 1.281423341e+00 2.30 7.122483950e-01 2.32 4.882250240e-01 2.34 3.730435638e-01 2.36 2.314207794e-01 2.38 3.783971870e-02 2.40 -1.395166520e-01 2.42 -2.550518797e-01 2.44 -3.314647755e-01 2.46 -4.186239004e-01 2.48 -5.259137373e-01 2.50 -6.566039792e-01 2.52 -8.068528633e-01 2.54 -9.468176538e-01 2.56 -1.080894671e+00 2.58 -1.210228704e+00 2.60 -1.338923620e+00 2.62 -1.447676380e+00 2.64 -1.545725709e+00 2.66 -1.634302205e+00 2.68 -1.727491709e+00 2.70 -1.791912626e+00 2.72 -1.847453915e+00 2.74 -1.892075250e+00 2.76 -1.933022408e+00 2.78 -1.966784933e+00 2.80 -1.993882143e+00 2.82 -2.015357459e+00 2.84 -2.029385995e+00 2.86 -2.037326221e+00 2.88 -2.039662521e+00 2.90 -2.036741584e+00 2.92 -2.029176357e+00 2.94 -2.017134932e+00 2.96 -2.000600605e+00 2.98 -1.980176339e+00 3.00 -1.956207882e+00 3.02 -1.928844325e+00 3.04 -1.898594462e+00 3.06 -1.865593037e+00 3.08 -1.830005450e+00 3.10 -1.792187482e+00 3.12 -1.752555764e+00 3.14 -1.709046404e+00 3.16 -1.655259875e+00 3.18 -1.612297122e+00 3.20 -1.571731758e+00 3.22 -1.532452105e+00 3.24 -1.494564865e+00 3.26 -1.458425837e+00 3.28 -1.424211652e+00 3.30 -1.392090909e+00 3.32 -1.362104637e+00 3.34 -1.334789610e+00 3.36 -1.310262897e+00 3.38 -1.289621691e+00 3.40 -1.263918416e+00 3.42 -1.249047791e+00 3.44 -1.234270567e+00 3.46 -1.219811414e+00 3.48 -1.205956364e+00 3.50 -1.192114937e+00 3.52 -1.178151301e+00 3.54 -1.164361445e+00 3.56 -1.150187467e+00 3.58 -1.135787518e+00 3.60 -1.121463978e+00 3.62 -1.107286283e+00 3.64 -1.093282316e+00 3.66 -1.078840946e+00 3.68 -1.064480147e+00 3.70 -1.050502555e+00 3.72 -1.036267592e+00 3.74 -1.022151046e+00 3.76 -1.008441265e+00 3.78 -9.947104306e-01 3.80 -9.810052786e-01 3.82 -9.673411036e-01 3.84 -9.515185075e-01 3.86 -9.148335713e-01 3.88 -8.914383636e-01 3.90 -8.814931281e-01 3.92 -8.722913705e-01 3.94 -8.634323831e-01 3.96 -8.547573349e-01 3.98 -8.434569378e-01 4.00 -8.347866266e-01 4.02 -8.261634427e-01 4.04 -8.175948601e-01 4.06 -8.090935617e-01 4.08 -8.006577711e-01 4.10 -7.923150717e-01 4.12 -7.840355969e-01 4.14 -7.758689562e-01 4.16 -7.677761959e-01 4.18 -7.597727027e-01 4.20 -7.518810169e-01 4.22 -7.440715336e-01 4.24 -7.363429403e-01 4.26 -7.287229210e-01 4.28 -7.211724491e-01 4.30 -7.137147404e-01 4.32 -7.063299553e-01 4.34 -6.990438256e-01 4.36 -6.918301344e-01 4.38 -6.846870399e-01 4.40 -6.776338254e-01 4.42 -6.706394055e-01 4.44 -6.637194173e-01 4.46 -6.568602176e-01 4.48 -6.500837623e-01 4.50 -6.433579872e-01 4.52 -6.366901787e-01 4.54 -6.300812456e-01 4.56 -6.235316102e-01 4.58 -6.170218292e-01 4.60 -6.105691516e-01 4.62 -6.041672673e-01 4.64 -5.977968103e-01 4.66 -5.914727374e-01 4.68 -5.851762732e-01 4.70 -5.789085749e-01 4.72 -5.726641935e-01 4.74 -5.664519557e-01 4.76 -5.602298453e-01 4.78 -5.540446584e-01 4.80 -5.478615083e-01 4.82 -5.416796717e-01 4.84 -5.354893790e-01 4.86 -5.293027351e-01 4.88 -5.231163475e-01 4.90 -5.169037298e-01 4.92 -5.106679167e-01 4.94 -5.044210511e-01 4.96 -4.981266855e-01 4.98 -4.918245823e-01 5.00 -4.855013916e-01 5.02 -4.791018320e-01 5.04 -4.726718059e-01 5.06 -4.662091303e-01 5.08 -4.596870880e-01 5.10 -4.531147358e-01 5.12 -4.464829655e-01 5.14 -4.397705913e-01 5.16 -4.330095170e-01 5.18 -4.261837807e-01 5.20 -4.193003471e-01 5.22 -4.123171657e-01 5.24 -4.052523894e-01 5.26 -3.981383030e-01 5.28 -3.909217113e-01 5.30 -3.836365394e-01 5.32 -3.762668740e-01 5.34 -3.688059956e-01 5.36 -3.612712633e-01 5.38 -3.536597590e-01 5.40 -3.459188577e-01 5.42 -3.376312371e-01 5.44 -3.256614134e-01 5.46 -3.047182025e-01 5.48 -2.909617910e-01 5.50 -2.836838718e-01 5.52 -2.772904956e-01 5.54 -2.709270589e-01 5.56 -2.645182168e-01 5.58 -2.580561589e-01 5.60 -2.515501014e-01 5.62 -2.449942092e-01 5.64 -2.384022219e-01 5.66 -2.317798429e-01 5.68 -2.251230424e-01 5.70 -2.184369515e-01 5.72 -2.117282780e-01 5.74 -2.050037729e-01 5.76 -1.982725788e-01 5.78 -1.915320735e-01 5.80 -1.847966709e-01 5.82 -1.780698736e-01 5.84 -1.713544931e-01 5.86 -1.646520535e-01 5.88 -1.579836000e-01 5.90 -1.513484429e-01 5.92 -1.447520352e-01 5.94 -1.382023628e-01 5.96 -1.317091363e-01 5.98 -1.252789851e-01 6.00 -1.189141184e-01