# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Nouranian-S-Tschopp-M-A-Gwaltney-S-R-et-al--CH # implementation = 2014--Nouranian-S--CH--ipr1 # composition = CH2 # 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 1.652112213e+02 0.66 1.497828686e+02 0.68 1.357873618e+02 0.70 1.230809586e+02 0.72 1.115363649e+02 0.74 1.010405328e+02 0.76 9.149280234e+01 0.78 8.280332592e+01 0.80 7.489172508e+01 0.82 6.768594160e+01 0.84 6.112125020e+01 0.86 5.513940682e+01 0.88 4.968791127e+01 0.90 4.471936662e+01 0.92 4.019092078e+01 0.94 3.606377817e+01 0.96 3.230277152e+01 0.98 2.887598519e+01 1.00 2.575442306e+01 1.02 2.291171486e+01 1.04 2.032385591e+01 1.06 1.796897597e+01 1.08 1.582713347e+01 1.10 1.388013190e+01 1.12 1.211135578e+01 1.14 1.050562370e+01 1.16 9.049056550e+00 1.18 7.728959101e+00 1.20 6.533713416e+00 1.22 5.452682795e+00 1.24 4.476125066e+00 1.26 3.595114216e+00 1.28 2.801469461e+00 1.30 2.087690978e+00 1.32 1.446901596e+00 1.34 8.727938469e-01 1.36 3.595818213e-01 1.38 -9.804264292e-02 1.40 -5.049498692e-01 1.42 -8.656087290e-01 1.44 -1.184119844e+00 1.46 -1.464245910e+00 1.48 -1.709439413e+00 1.50 -1.922867960e+00 1.52 -2.107437489e+00 1.54 -2.265813543e+00 1.56 -2.400440699e+00 1.58 -2.513560436e+00 1.60 -2.607227521e+00 1.62 -2.683325037e+00 1.64 -2.743578201e+00 1.66 -2.789567045e+00 1.68 -2.822738084e+00 1.70 -2.844415038e+00 1.72 -2.855808704e+00 1.74 -2.858026032e+00 1.76 -2.852078484e+00 1.78 -2.838889737e+00 1.80 -2.819302769e+00 1.82 -2.794086393e+00 1.84 -2.763941281e+00 1.86 -2.729505513e+00 1.88 -2.691359697e+00 1.90 -2.650031691e+00 1.92 -2.606000956e+00 1.94 -2.559702580e+00 1.96 -2.511530991e+00 1.98 -2.461843383e+00 2.00 -2.410962888e+00 2.02 -2.359181511e+00 2.04 -2.306762846e+00 2.06 -2.253944592e+00 2.08 -2.200940904e+00 2.10 -2.147944567e+00 2.12 -2.095129046e+00 2.14 -2.042650408e+00 2.16 -1.990649135e+00 2.18 -1.939251873e+00 2.20 -1.888573116e+00 2.22 -1.838716867e+00 2.24 -1.789778316e+00 2.26 -1.741845581e+00 2.28 -1.695001576e+00 2.30 -1.649326113e+00 2.32 -1.604898363e+00 2.34 -1.561799911e+00 2.36 -1.520118732e+00 2.38 -1.479954669e+00 2.40 -1.441427384e+00 2.42 -1.404688586e+00 2.44 -1.369942002e+00 2.46 -1.337478380e+00 2.48 -1.307742349e+00 2.50 -1.281475437e+00 2.52 -1.260064892e+00 2.54 -1.245480541e+00 2.56 -1.243545126e+00 2.58 -1.281918664e+00 2.60 -1.214986850e+00 2.62 -1.166553364e+00 2.64 -1.118512360e+00 2.66 -1.071498219e+00 2.68 -1.025782335e+00 2.70 -9.814956941e-01 2.72 -9.387008762e-01 2.74 -8.974223768e-01 2.76 -8.576616141e-01 2.78 -8.194052158e-01 2.80 -7.826299805e-01 2.82 -7.473060348e-01 2.84 -7.133989415e-01 2.86 -6.808711613e-01 2.88 -6.496830973e-01 2.90 -6.197938601e-01 2.92 -5.894066452e-01 2.94 -5.372103674e-01 2.96 -4.150830307e-01 2.98 -1.915450014e-01 3.00 -8.017308692e-24 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