# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Jiang-C-Morgan-D-Szlufarska-I--Si-C # implementation = 2012--Jiang-C--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 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 1.874130783e+02 0.88 1.730942138e+02 0.90 1.601693287e+02 0.92 1.479639452e+02 0.94 1.363724913e+02 0.96 1.255288434e+02 0.98 1.157875974e+02 1.00 1.071143225e+02 1.02 9.956745846e+01 1.04 9.347931538e+01 1.06 8.782260512e+01 1.08 8.245652378e+01 1.10 7.729770443e+01 1.12 7.230312612e+01 1.14 6.744964908e+01 1.16 6.271993570e+01 1.18 5.810730990e+01 1.20 5.362680047e+01 1.22 4.933536148e+01 1.24 4.533806053e+01 1.26 4.170865225e+01 1.28 3.833342133e+01 1.30 3.547688839e+01 1.32 3.316078178e+01 1.34 3.149876140e+01 1.36 3.003157594e+01 1.38 2.861898922e+01 1.40 2.725709398e+01 1.42 2.594225212e+01 1.44 2.467095963e+01 1.46 2.343980411e+01 1.48 2.224541997e+01 1.50 2.108444099e+01 1.52 1.995317003e+01 1.54 1.884334488e+01 1.56 1.774288610e+01 1.58 1.663508723e+01 1.60 1.549516231e+01 1.62 1.429741555e+01 1.64 1.301066821e+01 1.66 1.158804345e+01 1.68 9.950832131e+00 1.70 7.981759464e+00 1.72 5.634428293e+00 1.74 3.266813248e+00 1.76 1.527319805e+00 1.78 4.014770520e-01 1.80 -6.503294711e-01 1.82 -1.714528979e+00 1.84 -2.712657042e+00 1.86 -3.423770461e+00 1.88 -3.750283407e+00 1.90 -3.891368023e+00 1.92 -4.001224888e+00 1.94 -4.092440434e+00 1.96 -4.164761943e+00 1.98 -4.217925086e+00 2.00 -4.253905437e+00 2.02 -4.278201266e+00 2.04 -4.295977861e+00 2.06 -4.311516557e+00 2.08 -4.328059378e+00 2.10 -4.347662906e+00 2.12 -4.371050192e+00 2.14 -4.397443573e+00 2.16 -4.424353380e+00 2.18 -4.447278725e+00 2.20 -4.459257168e+00 2.22 -4.450269857e+00 2.24 -4.406792951e+00 2.26 -4.312039482e+00 2.28 -4.147118800e+00 2.30 -3.892119390e+00 2.32 -3.534428594e+00 2.34 -3.072119683e+00 2.36 -2.521563056e+00 2.38 -1.918608893e+00 2.40 -1.315355370e+00 2.42 -7.749454996e-01 2.44 -3.598987430e-01 2.46 -1.100463930e-01 2.48 -1.413548088e-02 2.50 -1.726718698e-04 2.52 -1.613441988e-11 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