# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1994--Tersoff-J--Si-C # implementation = 1994--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 1.946650267e+03 0.66 1.740008785e+03 0.68 1.550276508e+03 0.70 1.383323673e+03 0.72 1.238140012e+03 0.74 1.115649687e+03 0.76 1.004221338e+03 0.78 8.992809693e+02 0.80 8.052785864e+02 0.82 7.264307739e+02 0.84 6.611354673e+02 0.86 6.025916400e+02 0.88 5.492554047e+02 0.90 4.995889467e+02 0.92 4.532284577e+02 0.94 4.099285940e+02 0.96 3.702360143e+02 0.98 3.338597215e+02 1.00 3.016426092e+02 1.02 2.730460627e+02 1.04 2.479959261e+02 1.06 2.271517466e+02 1.08 2.091324519e+02 1.10 1.925777447e+02 1.12 1.771000965e+02 1.14 1.623142910e+02 1.16 1.481690406e+02 1.18 1.336553953e+02 1.20 1.187442089e+02 1.22 1.038183059e+02 1.24 8.921553888e+01 1.26 7.542531846e+01 1.28 6.357190459e+01 1.30 5.516451722e+01 1.32 4.988692394e+01 1.34 4.541040289e+01 1.36 4.128163761e+01 1.38 3.747503062e+01 1.40 3.396683251e+01 1.42 3.073500891e+01 1.44 2.775911716e+01 1.46 2.502019184e+01 1.48 2.250063856e+01 1.50 2.018413540e+01 1.52 1.805554154e+01 1.54 1.610081237e+01 1.56 1.430671459e+01 1.58 1.259755530e+01 1.60 1.092793603e+01 1.62 9.306142380e+00 1.64 7.734407474e+00 1.66 6.200007566e+00 1.68 4.585151092e+00 1.70 2.884343509e+00 1.72 1.137605463e+00 1.74 -6.045177983e-01 1.76 -2.267774957e+00 1.78 -3.739197008e+00 1.80 -4.865939276e+00 1.82 -5.491626723e+00 1.84 -5.720946952e+00 1.86 -5.837194405e+00 1.88 -5.929060804e+00 1.90 -5.998652862e+00 1.92 -6.047928005e+00 1.94 -6.078704092e+00 1.96 -6.092668518e+00 1.98 -6.091386755e+00 2.00 -6.076310363e+00 2.02 -6.048784498e+00 2.04 -6.010054943e+00 2.06 -5.961274709e+00 2.08 -5.903510216e+00 2.10 -5.837747081e+00 2.12 -5.764895545e+00 2.14 -5.685795557e+00 2.16 -5.601221533e+00 2.18 -5.511886810e+00 2.20 -5.418447827e+00 2.22 -5.293467745e+00 2.24 -5.077066273e+00 2.26 -4.774807560e+00 2.28 -4.397435817e+00 2.30 -3.958184740e+00 2.32 -3.472466892e+00 2.34 -2.957492756e+00 2.36 -2.431823766e+00 2.38 -1.914858412e+00 2.40 -1.426240366e+00 2.42 -9.851640671e-01 2.44 -6.095401383e-01 2.46 -3.149789265e-01 2.48 -1.135667918e-01 2.50 -1.245109487e-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