# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1998--Devanathan-R-Diaz-de-la-Rubia-T-Weber-W-J--Si-C # implementation = 1998--Devanathan-R--Si-C--LAMMPS--ipr1 # composition = CSi2 # 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 2.397639919e+03 0.66 2.138585358e+03 0.68 1.898536218e+03 0.70 1.690174414e+03 0.72 1.513764072e+03 0.74 1.364999427e+03 0.76 1.232891779e+03 0.78 1.115312004e+03 0.80 1.012369359e+03 0.82 9.230461280e+02 0.84 8.491843709e+02 0.86 7.863337992e+02 0.88 7.331454951e+02 0.90 6.842495864e+02 0.92 6.391044996e+02 0.94 5.970521284e+02 0.96 5.576040144e+02 0.98 5.189245582e+02 1.00 4.817655561e+02 1.02 4.465311122e+02 1.04 4.141051960e+02 1.06 3.850182572e+02 1.08 3.562682413e+02 1.10 3.272211457e+02 1.12 2.992646747e+02 1.14 2.738351750e+02 1.16 2.522455557e+02 1.18 2.323898994e+02 1.20 2.118731002e+02 1.22 1.912193330e+02 1.24 1.709418096e+02 1.26 1.515119231e+02 1.28 1.337851824e+02 1.30 1.196465027e+02 1.32 1.098591880e+02 1.34 1.013494760e+02 1.36 9.336243841e+01 1.38 8.541797258e+01 1.40 7.757350102e+01 1.42 7.000362529e+01 1.44 6.290173345e+01 1.46 5.646963523e+01 1.48 5.088681769e+01 1.50 4.625154275e+01 1.52 4.224450295e+01 1.54 3.853318425e+01 1.56 3.509709834e+01 1.58 3.191712598e+01 1.60 2.897543226e+01 1.62 2.625538508e+01 1.64 2.374147739e+01 1.66 2.139704174e+01 1.68 1.894236974e+01 1.70 1.636345682e+01 1.72 1.374318618e+01 1.74 1.115669629e+01 1.76 8.675099177e+00 1.78 6.381270804e+00 1.80 4.390550422e+00 1.82 2.848656646e+00 1.84 1.864473612e+00 1.86 1.138686363e+00 1.88 4.785229258e-01 1.90 -1.207048270e-01 1.92 -6.633808578e-01 1.94 -1.153603741e+00 1.96 -1.595204316e+00 1.98 -1.991762271e+00 2.00 -2.346621744e+00 2.02 -2.662905970e+00 2.04 -2.943531054e+00 2.06 -3.191218911e+00 2.08 -3.408509418e+00 2.10 -3.597771845e+00 2.12 -3.761215575e+00 2.14 -3.900900193e+00 2.16 -4.018744944e+00 2.18 -4.116537633e+00 2.20 -4.195942969e+00 2.22 -4.257064393e+00 2.24 -4.290319083e+00 2.26 -4.290105034e+00 2.28 -4.253149679e+00 2.30 -4.177751533e+00 2.32 -4.064092411e+00 2.34 -3.914355036e+00 2.36 -3.714043132e+00 2.38 -3.446104094e+00 2.40 -3.108925485e+00 2.42 -2.709180385e+00 2.44 -2.263220110e+00 2.46 -1.797249976e+00 2.48 -1.345717787e+00 2.50 -9.477018237e-01 2.52 -6.315651224e-01 2.54 -3.660274798e-01 2.56 -1.621553312e-01 2.58 -3.696932642e-02 2.60 0.000000000e+00 2.62 0.000000000e+00 2.64 0.000000000e+00 2.66 0.000000000e+00 2.68 0.000000000e+00 2.70 0.000000000e+00 2.72 0.000000000e+00 2.74 0.000000000e+00 2.76 0.000000000e+00 2.78 0.000000000e+00 2.80 0.000000000e+00 2.82 0.000000000e+00 2.84 0.000000000e+00 2.86 0.000000000e+00 2.88 0.000000000e+00 2.90 0.000000000e+00 2.92 0.000000000e+00 2.94 0.000000000e+00 2.96 0.000000000e+00 2.98 0.000000000e+00 3.00 0.000000000e+00 3.02 0.000000000e+00 3.04 0.000000000e+00 3.06 0.000000000e+00 3.08 0.000000000e+00 3.10 0.000000000e+00 3.12 0.000000000e+00 3.14 0.000000000e+00 3.16 0.000000000e+00 3.18 0.000000000e+00 3.20 0.000000000e+00 3.22 0.000000000e+00 3.24 0.000000000e+00 3.26 0.000000000e+00 3.28 0.000000000e+00 3.30 0.000000000e+00 3.32 0.000000000e+00 3.34 0.000000000e+00 3.36 0.000000000e+00 3.38 0.000000000e+00 3.40 0.000000000e+00 3.42 0.000000000e+00 3.44 0.000000000e+00 3.46 0.000000000e+00 3.48 0.000000000e+00 3.50 0.000000000e+00 3.52 0.000000000e+00 3.54 0.000000000e+00 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