# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Tersoff-J--Si-C # implementation = 1990--Tersoff-J--Si-C--LAMMPS--ipr1 # composition = C2Si # 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 2.778074335e+03 0.60 2.489122720e+03 0.62 2.202686770e+03 0.64 1.975478794e+03 0.66 1.775406798e+03 0.68 1.591471461e+03 0.70 1.418942796e+03 0.72 1.287220122e+03 0.74 1.131151624e+03 0.76 1.029598201e+03 0.78 9.260610563e+02 0.80 8.450402814e+02 0.82 7.718777243e+02 0.84 6.855074836e+02 0.86 6.276068648e+02 0.88 5.750495826e+02 0.90 5.031651874e+02 0.92 4.620210883e+02 0.94 4.244926740e+02 0.96 3.902342588e+02 0.98 3.499293227e+02 1.00 3.038422030e+02 1.02 2.796214068e+02 1.04 2.574096302e+02 1.06 2.370305328e+02 1.08 2.183242123e+02 1.10 1.944765942e+02 1.12 1.791983092e+02 1.14 1.651485872e+02 1.16 1.522238862e+02 1.18 1.403298940e+02 1.20 1.293806585e+02 1.22 1.192978057e+02 1.24 1.100098325e+02 1.26 9.850643066e+01 1.28 9.079122512e+01 1.30 8.367806124e+01 1.32 6.226807415e+01 1.34 5.714746772e+01 1.36 5.241828758e+01 1.38 4.805107450e+01 1.40 4.401861549e+01 1.42 4.029576734e+01 1.44 3.685929466e+01 1.46 3.368772099e+01 1.48 3.076119210e+01 1.50 2.806135022e+01 1.52 2.557121839e+01 1.54 1.059141045e+01 1.56 9.187473342e+00 1.58 7.901159564e+00 1.60 6.723844351e+00 1.62 5.647502485e+00 1.64 4.664667470e+00 1.66 3.768393461e+00 1.68 2.952219795e+00 1.70 2.210137906e+00 1.72 1.536560504e+00 1.74 9.262928189e-01 1.76 3.745058132e-01 1.78 -1.232888058e-01 1.80 -5.712618760e-01 1.82 -9.732884954e-01 1.84 -1.332968267e+00 1.86 -1.653644176e+00 1.88 -1.938420187e+00 1.90 -2.190177649e+00 1.92 -2.411590601e+00 1.94 -2.605140024e+00 1.96 -2.773127149e+00 1.98 -2.917685848e+00 2.00 -3.040794192e+00 2.02 -3.144285234e+00 2.04 -3.229857049e+00 2.06 -3.299082102e+00 2.08 -3.353415977e+00 2.10 -3.394205523e+00 2.12 -3.422696434e+00 2.14 -3.440040323e+00 2.16 -3.447301319e+00 2.18 -5.371861034e+00 2.20 -5.283964460e+00 2.22 -5.192347692e+00 2.24 -5.097573515e+00 2.26 -5.000158454e+00 2.28 -4.900575992e+00 2.30 -4.799259573e+00 2.32 -4.696605417e+00 2.34 -4.592975157e+00 2.36 -4.488698291e+00 2.38 -4.384074489e+00 2.40 -4.279375740e+00 2.42 -4.174848360e+00 2.44 -4.070714870e+00 2.46 -3.967175748e+00 2.48 -3.864411067e+00 2.50 -1.489699773e+00 2.52 0.000000000e+00 2.54 0.000000000e+00 2.56 0.000000000e+00 2.58 0.000000000e+00 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