# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1994--Tersoff-J--Si-C # implementation = 1994--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 nan 0.60 nan 0.62 nan 0.64 3.022456610e+03 0.66 2.711170269e+03 0.68 2.424795095e+03 0.70 2.175274295e+03 0.72 1.961128047e+03 0.74 1.776558258e+03 0.76 1.607778503e+03 0.78 1.452474049e+03 0.80 1.311446238e+03 0.82 1.184590978e+03 0.84 1.075561705e+03 0.86 9.800495208e+02 0.88 8.970864486e+02 0.90 8.206954942e+02 0.92 7.509484724e+02 0.94 6.872526767e+02 0.96 6.291626805e+02 0.98 5.747447347e+02 1.00 5.246771260e+02 1.02 4.790347639e+02 1.04 4.384107658e+02 1.06 4.030268006e+02 1.08 3.694464997e+02 1.10 3.367328023e+02 1.12 3.060543808e+02 1.14 2.786492055e+02 1.16 2.555695330e+02 1.18 2.345328667e+02 1.20 2.131938373e+02 1.22 1.919882592e+02 1.24 1.713567176e+02 1.26 1.517216951e+02 1.28 1.339182722e+02 1.30 1.197864402e+02 1.32 1.099676880e+02 1.34 1.014234253e+02 1.36 9.341263441e+01 1.38 8.545160542e+01 1.40 7.759568443e+01 1.42 7.001802360e+01 1.44 6.291094986e+01 1.46 5.647549469e+01 1.48 5.089057085e+01 1.50 4.625401500e+01 1.52 4.224617925e+01 1.54 3.853434579e+01 1.56 3.509792931e+01 1.58 3.191774592e+01 1.60 2.897591795e+01 1.62 2.625578519e+01 1.64 2.374182233e+01 1.66 2.139734972e+01 1.68 1.894264756e+01 1.70 1.636370867e+01 1.72 1.374341554e+01 1.74 1.115690591e+01 1.76 8.675291363e+00 1.78 6.381447700e+00 1.80 4.390714350e+00 1.82 2.848810247e+00 1.84 1.864619553e+00 1.86 1.138825099e+00 1.88 4.786539616e-01 1.90 -1.205817317e-01 1.92 -6.632657515e-01 1.94 -1.153496530e+00 1.96 -1.595104803e+00 1.98 -1.991670190e+00 2.00 -2.346536778e+00 2.02 -2.662827775e+00 2.04 -2.943459269e+00 2.06 -3.191153169e+00 2.08 -3.408449355e+00 2.10 -3.597717103e+00 2.12 -3.761165807e+00 2.14 -3.900855065e+00 2.16 -4.018704137e+00 2.18 -4.116500844e+00 2.20 -4.195909911e+00 2.22 -4.255140118e+00 2.24 -4.284877190e+00 2.26 -4.280769805e+00 2.28 -4.239930222e+00 2.30 -4.161061649e+00 2.32 -4.044723087e+00 2.34 -3.893405356e+00 2.36 -3.692497515e+00 2.38 -3.425008785e+00 2.40 -3.089600513e+00 2.42 -2.693009589e+00 2.44 -2.251321768e+00 2.46 -1.790085450e+00 2.48 -1.342758891e+00 2.50 -9.473188959e-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