# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2019--Plummer-G-Tucker-G-J--Ti-Si-C # implementation = 2019--Plummer-G--Ti-Si-C--LAMMPS--ipr1 # composition = Si2Ti # 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 2.547930802e+03 0.78 2.319334495e+03 0.80 2.112041104e+03 0.82 1.926195467e+03 0.84 1.760599667e+03 0.86 1.612279238e+03 0.88 1.477450439e+03 0.90 1.354596152e+03 0.92 1.242087006e+03 0.94 1.139939831e+03 0.96 1.046126946e+03 0.98 9.603536591e+02 1.00 8.821308204e+02 1.02 8.111656880e+02 1.04 7.471623818e+02 1.06 6.885503113e+02 1.08 6.351236626e+02 1.10 5.865403578e+02 1.12 5.419387288e+02 1.14 5.010049195e+02 1.16 4.633097510e+02 1.18 4.278121142e+02 1.20 3.943280382e+02 1.22 3.630127746e+02 1.24 3.343506491e+02 1.26 3.086576034e+02 1.28 2.846103809e+02 1.30 2.615595931e+02 1.32 2.397443756e+02 1.34 2.195230761e+02 1.36 2.014045440e+02 1.38 1.857844105e+02 1.40 1.717572466e+02 1.42 1.587973850e+02 1.44 1.465732707e+02 1.46 1.350482105e+02 1.48 1.242617649e+02 1.50 1.142647176e+02 1.52 1.050993452e+02 1.54 9.677038837e+01 1.56 8.908426306e+01 1.58 8.187404815e+01 1.60 7.512187894e+01 1.62 6.881135656e+01 1.64 6.287608840e+01 1.66 5.719637057e+01 1.68 5.178758578e+01 1.70 4.667681764e+01 1.72 4.190272681e+01 1.74 3.752118797e+01 1.76 3.358919678e+01 1.78 3.013459126e+01 1.80 2.702125343e+01 1.82 2.418352371e+01 1.84 2.160892813e+01 1.86 1.928073545e+01 1.88 1.714387920e+01 1.90 1.516703040e+01 1.92 1.333945473e+01 1.94 1.165111106e+01 1.96 1.009260707e+01 1.98 8.655157727e+00 2.00 7.318694063e+00 2.02 6.007619732e+00 2.04 4.717773557e+00 2.06 3.461672151e+00 2.08 2.251404436e+00 2.10 1.101326670e+00 2.12 3.487686615e-02 2.14 -9.079565029e-01 2.16 -1.674175174e+00 2.18 -2.232465524e+00 2.20 -2.696198210e+00 2.22 -3.109731036e+00 2.24 -3.477376521e+00 2.26 -3.803432747e+00 2.28 -4.092097822e+00 2.30 -4.347371067e+00 2.32 -4.572951116e+00 2.34 -4.772143867e+00 2.36 -4.947794068e+00 2.38 -5.102239354e+00 2.40 -5.235260408e+00 2.42 -5.347061289e+00 2.44 -5.439302074e+00 2.46 -5.513532766e+00 2.48 -5.571200128e+00 2.50 -5.613654106e+00 2.52 -5.642153857e+00 2.54 -5.657873424e+00 2.56 -5.661907065e+00 2.58 -5.655274253e+00 2.60 -5.638924389e+00 2.62 -5.613741212e+00 2.64 -5.580546955e+00 2.66 -5.540106243e+00 2.68 -5.493129756e+00 2.70 -5.440277666e+00 2.72 -5.382162866e+00 2.74 -5.319354007e+00 2.76 -5.252378341e+00 2.78 -5.181724394e+00 2.80 -5.107844477e+00 2.82 -5.030670084e+00 2.84 -4.941416626e+00 2.86 -4.837288059e+00 2.88 -4.719286814e+00 2.90 -4.588841694e+00 2.92 -4.447989003e+00 2.94 -4.299527910e+00 2.96 -4.147083495e+00 2.98 -3.986722529e+00 3.00 -3.816946293e+00 3.02 -3.643288253e+00 3.04 -3.471416525e+00 3.06 -3.306382030e+00 3.08 -3.150903764e+00 3.10 -2.991387938e+00 3.12 -2.823512813e+00 3.14 -2.648706008e+00 3.16 -2.468443864e+00 3.18 -2.284245839e+00 3.20 -2.097668223e+00 3.22 -1.910296963e+00 3.24 -1.723739383e+00 3.26 -1.539614467e+00 3.28 -1.359541372e+00 3.30 -1.185125733e+00 3.32 -1.017943332e+00 3.34 -8.595207149e-01 3.36 -7.113123944e-01 3.38 -5.746745154e-01 3.40 -4.508351261e-01 3.42 -3.408616791e-01 3.44 -2.456269681e-01 3.46 -1.657753858e-01 3.48 -1.016920509e-01 3.50 -5.347785749e-02 3.52 -2.093366450e-02 3.54 -3.556523941e-03 3.56 0.000000000e+00 3.58 0.000000000e+00 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 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