# 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 = 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 nan 0.66 nan 0.68 nan 0.70 nan 0.72 6.716319836e+03 0.74 6.041622116e+03 0.76 5.446429799e+03 0.78 4.913253714e+03 0.80 4.433659717e+03 0.82 4.004126481e+03 0.84 3.620699530e+03 0.86 3.277032999e+03 0.88 2.966314963e+03 0.90 2.686072051e+03 0.92 2.433034638e+03 0.94 2.205868014e+03 0.96 1.999736814e+03 0.98 1.812644583e+03 1.00 1.643117445e+03 1.02 1.490423647e+03 1.04 1.353515989e+03 1.06 1.229746966e+03 1.08 1.118500521e+03 1.10 1.018130934e+03 1.12 9.267007583e+02 1.14 8.433215365e+02 1.16 7.666959989e+02 1.18 6.951155842e+02 1.20 6.284330195e+02 1.22 5.669597235e+02 1.24 5.112650970e+02 1.26 4.618434532e+02 1.28 4.169564869e+02 1.30 3.756574364e+02 1.32 3.383470861e+02 1.34 3.046339054e+02 1.36 2.746412759e+02 1.38 2.487504350e+02 1.40 2.256360743e+02 1.42 2.045128554e+02 1.44 1.848059076e+02 1.46 1.663844349e+02 1.48 1.492551548e+02 1.50 1.334449754e+02 1.52 1.189821437e+02 1.54 1.058627686e+02 1.56 9.384120304e+01 1.58 8.275586854e+01 1.60 7.260036979e+01 1.62 6.341517848e+01 1.64 5.520888136e+01 1.66 4.791806053e+01 1.68 4.163707224e+01 1.70 3.603118106e+01 1.72 3.092938410e+01 1.74 2.639799457e+01 1.76 2.249346443e+01 1.78 1.922068043e+01 1.80 1.635401169e+01 1.82 1.378313410e+01 1.84 1.148069523e+01 1.86 9.421762752e+00 1.88 7.583614427e+00 1.90 5.945546152e+00 1.92 4.488696560e+00 1.94 3.195886697e+00 1.96 2.051473516e+00 1.98 1.041215989e+00 2.00 1.356743107e-01 2.02 -7.706272355e-01 2.04 -1.682686442e+00 2.06 -2.586643101e+00 2.08 -3.466371870e+00 2.10 -4.297959664e+00 2.12 -5.042436754e+00 2.14 -5.642753138e+00 2.16 -6.035949807e+00 2.18 -6.194338349e+00 2.20 -6.266676249e+00 2.22 -6.307951858e+00 2.24 -6.321841203e+00 2.26 -6.311664757e+00 2.28 -6.280419472e+00 2.30 -6.230808016e+00 2.32 -6.165265442e+00 2.34 -6.085983521e+00 2.36 -5.994932940e+00 2.38 -5.893883544e+00 2.40 -5.784422801e+00 2.42 -5.667972628e+00 2.44 -5.545804742e+00 2.46 -5.419054644e+00 2.48 -5.288734365e+00 2.50 -5.155744082e+00 2.52 -5.020882693e+00 2.54 -4.884857455e+00 2.56 -4.748292758e+00 2.58 -4.611738108e+00 2.60 -4.475675396e+00 2.62 -4.340525514e+00 2.64 -4.206654365e+00 2.66 -4.074378333e+00 2.68 -3.943969257e+00 2.70 -3.815658944e+00 2.72 -3.688054382e+00 2.74 -3.553565627e+00 2.76 -3.412353133e+00 2.78 -3.265793501e+00 2.80 -3.115247701e+00 2.82 -2.961418050e+00 2.84 -2.793326334e+00 2.86 -2.606949702e+00 2.88 -2.403148049e+00 2.90 -2.183380456e+00 2.92 -1.949936903e+00 2.94 -1.706183646e+00 2.96 -1.456811408e+00 2.98 -1.208062861e+00 3.00 -9.678807346e-01 3.02 -7.458482763e-01 3.04 -5.526945632e-01 3.06 -3.990757285e-01 3.08 -2.919661043e-01 3.10 -2.080662625e-01 3.12 -1.381854731e-01 3.14 -8.274147000e-02 3.16 -4.182886423e-02 3.18 -1.514525454e-02 3.20 -1.940299538e-03 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