# 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 = 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 4.135263013e+03 0.60 3.721568915e+03 0.62 3.295000259e+03 0.64 2.966990317e+03 0.66 2.653378703e+03 0.68 2.394655054e+03 0.70 2.141028001e+03 0.72 1.951264785e+03 0.74 1.705079560e+03 0.76 1.559899106e+03 0.78 1.408224153e+03 0.80 1.291355896e+03 0.82 1.185224490e+03 0.84 1.065616074e+03 0.86 9.799357351e+02 0.88 9.017948077e+02 0.90 7.910032963e+02 0.92 7.296620859e+02 0.94 6.734390411e+02 0.96 6.218696059e+02 0.98 5.400839935e+02 1.00 4.778768127e+02 1.02 4.422925976e+02 1.04 4.094509703e+02 1.06 3.791288409e+02 1.08 3.511223938e+02 1.10 3.146392855e+02 1.12 2.915287583e+02 1.14 2.701445934e+02 1.16 2.503522688e+02 1.18 2.320283315e+02 1.20 2.150594348e+02 1.22 1.993414625e+02 1.24 1.847787343e+02 1.26 1.614730465e+02 1.28 1.497375013e+02 1.30 1.388434383e+02 1.32 1.100947681e+02 1.34 1.017589977e+02 1.36 9.401233106e+01 1.38 8.681396840e+01 1.40 8.012595138e+01 1.42 7.391296095e+01 1.44 6.814212984e+01 1.46 6.278286890e+01 1.48 5.780670615e+01 1.50 5.318713754e+01 1.52 4.889948853e+01 1.54 2.541410794e+01 1.56 2.284525563e+01 1.58 2.046661393e+01 1.60 1.826563412e+01 1.62 1.623054903e+01 1.64 1.435032596e+01 1.66 1.261462231e+01 1.68 1.101374391e+01 1.70 9.538605772e+00 1.72 8.180695163e+00 1.74 6.932036901e+00 1.76 5.785160675e+00 1.78 4.733070329e+00 1.80 3.769214955e+00 1.82 2.887461720e+00 1.84 2.082070302e+00 1.86 1.347668852e+00 1.88 6.792313967e-01 1.90 7.205657687e-02 1.92 -4.782523280e-01 1.94 -9.758061886e-01 1.96 -1.424447686e+00 1.98 -1.827767912e+00 2.00 -2.189121975e+00 2.02 -2.511643662e+00 2.04 -2.798259229e+00 2.06 -3.051700343e+00 2.08 -3.274516261e+00 2.10 -3.469085261e+00 2.12 -3.637625388e+00 2.14 -3.782204543e+00 2.16 -3.904749964e+00 2.18 -4.495007031e+00 2.20 -4.441817526e+00 2.22 -4.383534074e+00 2.24 -4.320773835e+00 2.26 -4.254105557e+00 2.28 -4.184052879e+00 2.30 -4.111097414e+00 2.32 -4.035681649e+00 2.34 -3.958211646e+00 2.36 -3.879059579e+00 2.38 -3.798566103e+00 2.40 -3.717042569e+00 2.42 -3.634773097e+00 2.44 -3.552016517e+00 2.46 -3.469008179e+00 2.48 -3.385961644e+00 2.50 -1.440891543e+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