# 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 = 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 5.985172874e+03 0.74 5.376882634e+03 0.76 4.835361635e+03 0.78 4.349968048e+03 0.80 3.914978766e+03 0.82 3.528365244e+03 0.84 3.184862995e+03 0.86 2.876258272e+03 0.88 2.599027802e+03 0.90 2.350134454e+03 0.92 2.124928698e+03 0.94 1.921272242e+03 0.96 1.737567610e+03 0.98 1.572703475e+03 1.00 1.423783482e+03 1.02 1.288518360e+03 1.04 1.165858240e+03 1.06 1.055334138e+03 1.08 9.564122596e+02 1.10 8.673761400e+02 1.12 7.864846946e+02 1.14 7.129261708e+02 1.16 6.455121131e+02 1.18 5.828021136e+02 1.20 5.245674374e+02 1.22 4.710018401e+02 1.24 4.226590123e+02 1.26 3.800957329e+02 1.28 3.422562913e+02 1.30 3.084419653e+02 1.32 2.785091580e+02 1.34 2.516365747e+02 1.36 2.272462571e+02 1.38 2.051112637e+02 1.40 1.850256661e+02 1.42 1.667545478e+02 1.44 1.498986664e+02 1.46 1.343347299e+02 1.48 1.200253646e+02 1.50 1.069557920e+02 1.52 9.512430215e+01 1.54 8.451878366e+01 1.56 7.495878962e+01 1.58 6.630666449e+01 1.60 5.851408515e+01 1.62 5.148702845e+01 1.64 4.511393694e+01 1.66 3.935660538e+01 1.68 3.416788655e+01 1.70 2.940569816e+01 1.72 2.496066171e+01 1.74 2.077251766e+01 1.76 1.678107261e+01 1.78 1.293927127e+01 1.80 9.246763363e+00 1.82 5.816474754e+00 1.84 2.945459465e+00 1.86 1.034507339e+00 1.88 -1.334200596e-01 1.90 -1.144245516e+00 1.92 -2.018289179e+00 1.94 -2.769741209e+00 1.96 -3.411453629e+00 1.98 -3.955061086e+00 2.00 -4.420229799e+00 2.02 -4.868040822e+00 2.04 -5.303059663e+00 2.06 -5.719246003e+00 2.08 -6.109132474e+00 2.10 -6.460868423e+00 2.12 -6.754591248e+00 2.14 -6.961414156e+00 2.16 -7.050579237e+00 2.18 -7.011178782e+00 2.20 -6.924172944e+00 2.22 -6.819490203e+00 2.24 -6.699877652e+00 2.26 -6.567786304e+00 2.28 -6.425399471e+00 2.30 -6.274658564e+00 2.32 -6.117286535e+00 2.34 -5.954809175e+00 2.36 -5.788574462e+00 2.38 -5.619770124e+00 2.40 -5.449439581e+00 2.42 -5.278496413e+00 2.44 -5.107737483e+00 2.46 -4.937854832e+00 2.48 -4.769446467e+00 2.50 -4.603026130e+00 2.52 -4.439032146e+00 2.54 -4.277835431e+00 2.56 -4.119746741e+00 2.58 -3.965023221e+00 2.60 -3.813874329e+00 2.62 -3.666467182e+00 2.64 -3.522931387e+00 2.66 -3.383363391e+00 2.68 -3.247830408e+00 2.70 -3.116373958e+00 2.72 -2.986665121e+00 2.74 -2.847268911e+00 2.76 -2.698220000e+00 2.78 -2.541307823e+00 2.80 -2.378266457e+00 2.82 -2.210773338e+00 2.84 -2.040448670e+00 2.86 -1.868855493e+00 2.88 -1.697500460e+00 2.90 -1.527835316e+00 2.92 -1.361259050e+00 2.94 -1.199120557e+00 2.96 -1.042721492e+00 2.98 -8.933187690e-01 3.00 -7.521257754e-01 3.02 -6.203109512e-01 3.04 -4.989917803e-01 3.06 -3.892216021e-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