# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2002--Albe-K-Nordlund-K-Averback-R-S--Pt-C # implementation = Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_002 # composition = C2Pt # 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 2024-11-27 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 4.123264442e+03 0.70 3.684553453e+03 0.72 3.299838915e+03 0.74 2.966943510e+03 0.76 2.660881746e+03 0.78 2.381845206e+03 0.80 2.136502403e+03 0.82 1.934747725e+03 0.84 1.765356699e+03 0.86 1.602769449e+03 0.88 1.445514811e+03 0.90 1.298940235e+03 0.92 1.170995067e+03 0.94 1.066677250e+03 0.96 9.758993061e+02 0.98 8.951118983e+02 1.00 8.233866644e+02 1.02 7.530690079e+02 1.04 6.829632643e+02 1.06 6.146436643e+02 1.08 5.502276850e+02 1.10 4.936263574e+02 1.12 4.470887439e+02 1.14 4.052833537e+02 1.16 3.670176429e+02 1.18 3.328330842e+02 1.20 3.032288792e+02 1.22 2.785123156e+02 1.24 2.576823755e+02 1.26 2.385325293e+02 1.28 2.208311630e+02 1.30 2.044633071e+02 1.32 1.882905348e+02 1.34 1.698688662e+02 1.36 1.499006479e+02 1.38 1.292896807e+02 1.40 1.090608813e+02 1.42 9.056715350e+01 1.44 7.561837153e+01 1.46 6.600890685e+01 1.48 6.020178347e+01 1.50 5.451309929e+01 1.52 4.887390154e+01 1.54 4.334479594e+01 1.56 3.798164234e+01 1.58 3.283484864e+01 1.60 2.795130473e+01 1.62 2.337888885e+01 1.64 1.917240904e+01 1.66 1.539809566e+01 1.68 1.213190670e+01 1.70 9.446869589e+00 1.72 7.389234060e+00 1.74 5.916990941e+00 1.76 4.658059598e+00 1.78 3.516208279e+00 1.80 2.459924138e+00 1.82 1.483567257e+00 1.84 5.956975715e-01 1.86 -1.963998206e-01 1.88 -8.876918964e-01 1.90 -1.476383075e+00 1.92 -1.965022014e+00 1.94 -2.361794392e+00 1.96 -2.681820087e+00 1.98 -2.947534458e+00 2.00 -3.185989174e+00 2.02 -3.420994813e+00 2.04 -3.644323214e+00 2.06 -3.836239000e+00 2.08 -3.999328370e+00 2.10 -4.136028308e+00 2.12 -4.248602037e+00 2.14 -4.339150438e+00 2.16 -4.409622742e+00 2.18 -4.461826557e+00 2.20 -4.497437266e+00 2.22 -4.518006830e+00 2.24 -4.524972038e+00 2.26 -4.519662229e+00 2.28 -4.503306534e+00 2.30 -4.477040649e+00 2.32 -4.441913181e+00 2.34 -4.398891587e+00 2.36 -4.348867732e+00 2.38 -4.292663092e+00 2.40 -4.231033622e+00 2.42 -4.164674305e+00 2.44 -4.094223416e+00 2.46 -4.020266499e+00 2.48 -3.943340090e+00 2.50 -3.863935199e+00 2.52 -3.764611994e+00 2.54 -3.625762915e+00 2.56 -3.443939041e+00 2.58 -3.216023854e+00 2.60 -2.940741104e+00 2.62 -2.620025875e+00 2.64 -2.260107419e+00 2.66 -1.872151649e+00 2.68 -1.472304867e+00 2.70 -1.080980755e+00 2.72 -7.212668665e-01 2.74 -4.164369196e-01 2.76 -1.867797900e-01 2.78 -4.628188311e-02 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