# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Tersoff-J--Si-C # implementation = 1989--Tersoff-J--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 1.833161876e+03 0.66 1.638351458e+03 0.68 1.460018350e+03 0.70 1.303574146e+03 0.72 1.167694593e+03 0.74 1.052874477e+03 0.76 9.483610258e+02 0.78 8.500181710e+02 0.80 7.618833808e+02 0.82 6.877191653e+02 0.84 6.260801700e+02 0.86 5.706722096e+02 0.88 5.201453122e+02 0.90 4.731582621e+02 0.92 4.294568646e+02 0.94 3.888319317e+02 0.96 3.516835081e+02 0.98 3.175528633e+02 1.00 2.871121806e+02 1.02 2.599480565e+02 1.04 2.360825089e+02 1.06 2.161781933e+02 1.08 1.989889214e+02 1.10 1.831974045e+02 1.12 1.684738842e+02 1.14 1.544979847e+02 1.16 1.412067765e+02 1.18 1.276846561e+02 1.20 1.138931683e+02 1.22 1.001873084e+02 1.24 8.687360334e+01 1.26 7.435267141e+01 1.28 6.351729361e+01 1.30 5.562360161e+01 1.32 5.045892365e+01 1.34 4.602403831e+01 1.36 4.193003970e+01 1.38 3.815199465e+01 1.40 3.466676317e+01 1.42 3.145286970e+01 1.44 2.849038369e+01 1.46 2.576080867e+01 1.48 2.324697948e+01 1.50 2.093296678e+01 1.52 1.880398851e+01 1.54 1.684632768e+01 1.56 1.504708655e+01 1.58 1.334247389e+01 1.60 1.169478322e+01 1.62 1.011028303e+01 1.64 8.589268504e+00 1.66 7.116338054e+00 1.68 5.569533804e+00 1.70 3.933213067e+00 1.72 2.228724401e+00 1.74 4.770378179e-01 1.76 -1.284769198e+00 1.78 -2.964945386e+00 1.80 -4.352891918e+00 1.82 -5.104791740e+00 1.84 -5.349375195e+00 1.86 -5.480989022e+00 1.88 -5.587903329e+00 1.90 -5.672209355e+00 1.92 -5.735851649e+00 1.94 -5.780637561e+00 1.96 -5.808246134e+00 1.98 -5.820236454e+00 2.00 -5.818055475e+00 2.02 -5.803045359e+00 2.04 -5.776450357e+00 2.06 -5.739423263e+00 2.08 -5.693031457e+00 2.10 -5.638262580e+00 2.12 -5.576029840e+00 2.14 -5.507176993e+00 2.16 -5.432483005e+00 2.18 -5.352666424e+00 2.20 -5.268389466e+00 2.22 -5.156214358e+00 2.24 -4.963911704e+00 2.26 -4.694090295e+00 2.28 -4.353440402e+00 2.30 -3.950910938e+00 2.32 -3.497907550e+00 2.34 -3.008372601e+00 2.36 -2.498706394e+00 2.38 -1.987491658e+00 2.40 -1.494983412e+00 2.42 -1.042325297e+00 2.44 -6.504549135e-01 2.46 -3.386724205e-01 2.48 -1.228781476e-01 2.50 -1.353300916e-02 2.52 0.000000000e+00 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