# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Kang-K-H-Eun-T-Jun-M-C-Lee-B-J--Si-C # implementation = 2014--Kang-K-H--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 3.272948142e+02 0.80 3.017097876e+02 0.82 2.779660604e+02 0.84 2.559357872e+02 0.86 2.354999489e+02 0.88 2.165477406e+02 0.90 1.989759994e+02 0.92 1.826886717e+02 0.94 1.675963154e+02 0.96 1.536156364e+02 0.98 1.406690556e+02 1.00 1.286843063e+02 1.02 1.175940588e+02 1.04 1.073355726e+02 1.06 9.785037363e+01 1.08 8.908395799e+01 1.10 8.098552224e+01 1.12 7.350772080e+01 1.14 6.660645238e+01 1.16 6.024067464e+01 1.18 5.437224590e+01 1.20 4.896578797e+01 1.22 4.398856184e+01 1.24 3.941034380e+01 1.26 3.520328854e+01 1.28 3.134176644e+01 1.30 2.780216628e+01 1.32 2.456266118e+01 1.34 2.160294356e+01 1.36 1.890394316e+01 1.38 1.644754821e+01 1.40 1.421635360e+01 1.42 1.219345914e+01 1.44 1.036233707e+01 1.46 8.706780123e+00 1.48 7.210932059e+00 1.50 5.859392216e+00 1.52 4.637376333e+00 1.54 3.530909110e+00 1.56 2.527020583e+00 1.58 1.613919433e+00 1.60 7.811205327e-01 1.62 1.951206257e-02 1.64 -6.786440721e-01 1.66 -1.319775385e+00 1.68 -1.909115511e+00 1.70 -2.450859303e+00 1.72 -2.948339335e+00 1.74 -3.404207413e+00 1.76 -3.820607167e+00 1.78 -4.199327699e+00 1.80 -4.541932084e+00 1.82 -4.849858388e+00 1.84 -5.124493746e+00 1.86 -5.367224152e+00 1.88 -5.579463823e+00 1.90 -5.762668426e+00 1.92 -5.918336404e+00 1.94 -6.048002181e+00 1.96 -6.153224394e+00 1.98 -6.235571658e+00 2.00 -6.296607663e+00 2.02 -6.337876902e+00 2.04 -6.360891816e+00 2.06 -6.367121785e+00 2.08 -6.357984171e+00 2.10 -6.334837375e+00 2.12 -6.298975795e+00 2.14 -6.251626498e+00 2.16 -6.193947357e+00 2.18 -6.127026452e+00 2.20 -6.051882469e+00 2.22 -5.969465931e+00 2.24 -5.880661040e+00 2.26 -5.786288004e+00 2.28 -5.687105687e+00 2.30 -5.583814488e+00 2.32 -5.477059353e+00 2.34 -5.367432848e+00 2.36 -5.255478234e+00 2.38 -5.141692502e+00 2.40 -5.026529343e+00 2.42 -4.910402003e+00 2.44 -4.793686051e+00 2.46 -4.676721995e+00 2.48 -4.559817790e+00 2.50 -4.443251196e+00 2.52 -4.327272013e+00 2.54 -4.212104172e+00 2.56 -4.097947709e+00 2.58 -3.984980604e+00 2.60 -3.873360506e+00 2.62 -3.763226339e+00 2.64 -3.654699804e+00 2.66 -3.547886772e+00 2.68 -3.442878583e+00 2.70 -3.339753257e+00 2.72 -3.238576611e+00 2.74 -3.139403301e+00 2.76 -3.042277791e+00 2.78 -2.947235242e+00 2.80 -2.854302346e+00 2.82 -2.763498092e+00 2.84 -2.674834477e+00 2.86 -2.588317164e+00 2.88 -2.503946088e+00 2.90 -2.421716021e+00 2.92 -2.341617088e+00 2.94 -2.263635245e+00 2.96 -2.187752724e+00 2.98 -2.113948437e+00 3.00 -2.042198354e+00 3.02 -1.972475844e+00 3.04 -1.904751997e+00 3.06 -1.838995912e+00 3.08 -1.775174968e+00 3.10 -1.713255069e+00 3.12 -1.653200867e+00 3.14 -1.594975972e+00 3.16 -1.538543138e+00 3.18 -1.483864435e+00 3.20 -1.430901409e+00 3.22 -1.379615222e+00 3.24 -1.329966781e+00 3.26 -1.281916861e+00 3.28 -1.235426206e+00 3.30 -1.190455629e+00 3.32 -1.146966098e+00 3.34 -1.104918812e+00 3.36 -1.064275275e+00 3.38 -1.024997357e+00 3.40 -9.870564658e-01 3.42 -9.504933356e-01 3.44 -9.153749060e-01 3.46 -8.815037059e-01 3.48 -8.484890969e-01 3.50 -8.166049928e-01 3.52 -7.858353697e-01 3.54 -7.561463638e-01 3.56 -7.275048044e-01 3.58 -6.998782256e-01 3.60 -6.732348748e-01 3.62 -6.475437194e-01 3.64 -6.227744501e-01 3.66 -5.988974833e-01 3.68 -5.758839611e-01 3.70 -5.537057492e-01 3.72 -5.323354343e-01 3.74 -5.117463192e-01 3.76 -4.919124171e-01 3.78 -4.728084444e-01 3.80 -4.544098134e-01 3.82 -4.366926232e-01 3.84 -4.196336500e-01 3.86 -4.032103373e-01 3.88 -3.874007850e-01 3.90 -3.721837379e-01 3.92 -3.571531389e-01 3.94 -3.374169951e-01 3.96 -2.968278119e-01 3.98 -1.898689220e-01 4.00 -1.963614147e-22 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