# 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 = Li2Pb # 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 7.250150951e+02 1.00 6.616757848e+02 1.02 6.052539745e+02 1.04 5.536842137e+02 1.06 5.069450746e+02 1.08 4.643981950e+02 1.10 4.254763154e+02 1.12 3.894485734e+02 1.14 3.558038577e+02 1.16 3.253154251e+02 1.18 2.974421917e+02 1.20 2.711132788e+02 1.22 2.493413930e+02 1.24 2.293388696e+02 1.26 2.108296395e+02 1.28 1.941338194e+02 1.30 1.787196489e+02 1.32 1.645621523e+02 1.34 1.514814205e+02 1.36 1.390017220e+02 1.38 1.268924248e+02 1.40 1.150872266e+02 1.42 1.054823415e+02 1.44 9.764554808e+01 1.46 8.992903077e+01 1.48 8.288087785e+01 1.50 7.653161109e+01 1.52 7.055132281e+01 1.54 6.504838419e+01 1.56 5.998769637e+01 1.58 5.528534355e+01 1.60 5.095881189e+01 1.62 4.698023594e+01 1.64 4.332374271e+01 1.66 3.996193918e+01 1.68 3.685411332e+01 1.70 3.396893739e+01 1.72 3.130699988e+01 1.74 2.886030848e+01 1.76 2.658972881e+01 1.78 2.448472004e+01 1.80 2.255871953e+01 1.82 2.077952440e+01 1.84 1.915537409e+01 1.86 1.763727649e+01 1.88 1.620939840e+01 1.90 1.482006982e+01 1.92 1.338025435e+01 1.94 1.191129615e+01 1.96 1.032305623e+01 1.98 8.766361425e+00 2.00 7.632413022e+00 2.02 6.995285364e+00 2.04 6.447868758e+00 2.06 5.786431281e+00 2.08 5.178428122e+00 2.10 4.695914014e+00 2.12 4.273745002e+00 2.14 3.839170685e+00 2.16 3.419245293e+00 2.18 3.017577759e+00 2.20 2.610397297e+00 2.22 2.145179280e+00 2.24 1.654212832e+00 2.26 1.075588078e+00 2.28 4.677202066e-01 2.30 -4.469412833e-02 2.32 -2.104959826e-01 2.34 -2.733943473e-01 2.36 -3.737488644e-01 2.38 -5.543752240e-01 2.40 -7.200733061e-01 2.42 -8.240775198e-01 2.44 -9.086494742e-01 2.46 -9.947742631e-01 2.48 -1.088078678e+00 2.50 -1.181087142e+00 2.52 -1.271090182e+00 2.54 -1.347882655e+00 2.56 -1.424910638e+00 2.58 -1.502260349e+00 2.60 -1.579147846e+00 2.62 -1.644252874e+00 2.64 -1.702595176e+00 2.66 -1.755855820e+00 2.68 -1.816062608e+00 2.70 -1.850056908e+00 2.72 -1.878741229e+00 2.74 -1.900433698e+00 2.76 -1.920148320e+00 2.78 -1.934963077e+00 2.80 -1.945107538e+00 2.82 -1.952116473e+00 2.84 -1.953194719e+00 2.86 -1.949774969e+00 2.88 -1.941988913e+00 2.90 -1.930644696e+00 2.92 -1.915869580e+00 2.94 -1.897991935e+00 2.96 -1.876371336e+00 2.98 -1.851520522e+00 3.00 -1.823541746e+00 3.02 -1.793546465e+00 3.04 -1.761105445e+00 3.06 -1.727023748e+00 3.08 -1.690966250e+00 3.10 -1.652538044e+00 3.12 -1.612281716e+00 3.14 -1.571338803e+00 3.16 -1.528244315e+00 3.18 -1.484172186e+00 3.20 -1.442732288e+00 3.22 -1.404850087e+00 3.24 -1.370126150e+00 3.26 -1.341024728e+00 3.28 -1.311784594e+00 3.30 -1.284385818e+00 3.32 -1.259376106e+00 3.34 -1.237406570e+00 3.36 -1.218638347e+00 3.38 -1.203768955e+00 3.40 -1.181309327e+00 3.42 -1.170992191e+00 3.44 -1.159768230e+00 3.46 -1.148117225e+00 3.48 -1.137116208e+00 3.50 -1.125803076e+00 3.52 -1.114180517e+00 3.54 -1.103010562e+00 3.56 -1.091468190e+00 3.58 -1.079892825e+00 3.60 -1.068886901e+00 3.62 -1.058438310e+00 3.64 -1.048123980e+00 3.66 -1.036557436e+00 3.68 -1.024760724e+00 3.70 -1.013467430e+00 3.72 -1.001517894e+00 3.74 -9.897380500e-01 3.76 -9.784405440e-01 3.78 -9.664349209e-01 3.80 -9.539405468e-01 3.82 -9.414254824e-01 3.84 -9.279990750e-01 3.86 -9.039610710e-01 3.88 -8.867494424e-01 3.90 -8.763086785e-01 3.92 -8.662610115e-01 3.94 -8.568967899e-01 3.96 -8.478998836e-01 3.98 -8.272215558e-01 4.00 -8.186934150e-01 4.02 -8.101253163e-01 4.04 -8.015296280e-01 4.06 -7.929388654e-01 4.08 -7.843746644e-01 4.10 -7.758828662e-01 4.12 -7.675591266e-01 4.14 -7.594236760e-01 4.16 -7.513025212e-01 4.18 -7.430753720e-01 4.20 -7.348958855e-01 4.22 -7.268771080e-01 4.24 -7.189459554e-01 4.26 -7.110329912e-01 4.28 -7.032202111e-01 4.30 -6.956161492e-01 4.32 -6.881654569e-01 4.34 -6.807602059e-01 4.36 -6.733878686e-01 4.38 -6.661624442e-01 4.40 -6.591145419e-01 4.42 -6.521905251e-01 4.44 -6.453805923e-01 4.46 -6.385703662e-01 4.48 -6.315950419e-01 4.50 -6.246629321e-01 4.52 -6.179609384e-01 4.54 -6.113969649e-01 4.56 -6.049245646e-01 4.58 -5.985320851e-01 4.60 -5.922160930e-01 4.62 -5.859723183e-01 4.64 -5.797418774e-01 4.66 -5.735093195e-01 4.68 -5.673142979e-01 4.70 -5.611694307e-01 4.72 -5.550364602e-01 4.74 -5.488656493e-01 4.76 -5.427374164e-01 4.78 -5.367686153e-01 4.80 -5.308408222e-01 4.82 -5.248734559e-01 4.84 -5.188034338e-01 4.86 -5.125449214e-01 4.88 -5.061399009e-01 4.90 -4.998374961e-01 4.92 -4.937160652e-01 4.94 -4.875305183e-01 4.96 -4.811471908e-01 4.98 -4.747390834e-01 5.00 -4.684381807e-01 5.02 -4.620716277e-01 5.04 -4.554637353e-01 5.06 -4.487683009e-01 5.08 -4.421104475e-01 5.10 -4.354863448e-01 5.12 -4.289482472e-01 5.14 -4.224199838e-01 5.16 -4.157060805e-01 5.18 -4.087524241e-01 5.20 -4.018439030e-01 5.22 -3.951320355e-01 5.24 -3.883652852e-01 5.26 -3.813304051e-01 5.28 -3.742655434e-01 5.30 -3.674032838e-01 5.32 -3.605661515e-01 5.34 -3.536049701e-01 5.36 -3.465483245e-01 5.38 -3.394331940e-01 5.40 -3.322863131e-01 5.42 -3.251970207e-01 5.44 -3.181661927e-01 5.46 -3.111136769e-01 5.48 -3.039876461e-01 5.50 -2.968097561e-01 5.52 -2.895534226e-01 5.54 -2.823287827e-01 5.56 -2.752827966e-01 5.58 -2.683126882e-01 5.60 -2.613818718e-01 5.62 -2.544227634e-01 5.64 -2.383711715e-01 5.66 -2.317475952e-01 5.68 -2.250905713e-01 5.70 -2.184044813e-01 5.72 -2.116959095e-01 5.74 -2.049715424e-01 5.76 -1.982404205e-01 5.78 -1.914999419e-01 5.80 -1.847647781e-01 5.82 -1.780382093e-01 5.84 -1.713231667e-01 5.86 -1.646209569e-01 5.88 -1.579528411e-01 5.90 -1.513177806e-01 5.92 -1.447213607e-01 5.94 -1.381716618e-01 5.96 -1.316784956e-01 5.98 -1.252484522e-01 6.00 -1.188836330e-01