# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2007--Vashishta-P-Kalia-R-K-Nakano-A-Rino-J-P--Si-C # implementation = 2007--Vashishta-P--Si-C--LAMMPS--ipr1 # composition = CSi2 # 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 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 nan 1.16 nan 1.18 nan 1.20 2.079330491e+02 1.22 1.776362405e+02 1.24 1.518776735e+02 1.26 1.299347163e+02 1.28 1.111863199e+02 1.30 9.515235728e+01 1.32 8.144131163e+01 1.34 6.972349310e+01 1.36 5.974194508e+01 1.38 5.126799752e+01 1.40 4.410139444e+01 1.42 3.806965077e+01 1.44 3.300362702e+01 1.46 2.871635584e+01 1.48 2.503793954e+01 1.50 2.186232463e+01 1.52 1.911132526e+01 1.54 1.671846766e+01 1.56 1.463010207e+01 1.58 1.280029821e+01 1.60 1.119464692e+01 1.62 9.781058195e+00 1.64 8.533230379e+00 1.66 7.429123466e+00 1.68 6.459544549e+00 1.70 5.613754894e+00 1.72 4.870479578e+00 1.74 4.209085835e+00 1.76 3.619208904e+00 1.78 3.090694236e+00 1.80 2.616161694e+00 1.82 2.194435462e+00 1.84 1.819650922e+00 1.86 1.485344984e+00 1.88 1.186269950e+00 1.90 9.185970197e-01 1.92 6.789894582e-01 1.94 4.624204957e-01 1.96 2.663189373e-01 1.98 9.072047821e-02 2.00 -6.630466515e-02 2.02 -2.067975549e-01 2.04 -3.361520750e-01 2.06 -4.566290225e-01 2.08 -5.691948244e-01 2.10 -6.746818228e-01 2.12 -7.738053732e-01 2.14 -8.688591782e-01 2.16 -9.621057247e-01 2.18 -1.049215052e+00 2.20 -1.129509154e+00 2.22 -1.203381713e+00 2.24 -1.271171030e+00 2.26 -1.333413611e+00 2.28 -1.391961521e+00 2.30 -1.447261436e+00 2.32 -1.499429847e+00 2.34 -1.548558502e+00 2.36 -1.594718889e+00 2.38 -1.637966599e+00 2.40 -1.678345656e+00 2.42 -1.715892880e+00 2.44 -1.750642334e+00 2.46 -1.782219553e+00 2.48 -1.808239339e+00 2.50 -1.828431245e+00 2.52 -1.842951707e+00 2.54 -1.851974169e+00 2.56 -1.855692739e+00 2.58 -1.854324657e+00 2.60 -1.848118818e+00 2.62 -1.839169344e+00 2.64 -1.829102088e+00 2.66 -1.818123241e+00 2.68 -1.806438079e+00 2.70 -1.794236405e+00 2.72 -1.781678012e+00 2.74 -1.768881876e+00 2.76 -1.755923025e+00 2.78 -1.742838937e+00 2.80 -1.729642797e+00 2.82 -1.716336826e+00 2.84 -1.702920082e+00 2.86 -1.689793341e+00 2.88 -1.678237199e+00 2.90 -1.668307567e+00 2.92 -1.659961074e+00 2.94 -1.652342243e+00 2.96 -1.644522584e+00 2.98 -1.636500824e+00 3.00 -1.628276403e+00 3.02 -1.619848730e+00 3.04 -1.611217215e+00 3.06 -1.602381285e+00 3.08 -1.593340406e+00 3.10 -1.584094096e+00 3.12 -1.574641937e+00 3.14 -1.564983584e+00 3.16 -1.555118773e+00 3.18 -1.545047326e+00 3.20 -1.534973448e+00 3.22 -1.525223879e+00 3.24 -1.515792091e+00 3.26 -1.506667168e+00 3.28 -1.497838574e+00 3.30 -1.489296141e+00 3.32 -1.481030061e+00 3.34 -1.473030873e+00 3.36 -1.465289454e+00 3.38 -1.457797010e+00 3.40 -1.450545063e+00 3.42 -1.443525445e+00 3.44 -1.436730282e+00 3.46 -1.430151990e+00 3.48 -1.423783262e+00 3.50 -1.417617059e+00 3.52 -1.411646599e+00 3.54 -1.405865351e+00 3.56 -1.400267025e+00 3.58 -1.394845562e+00 3.60 -1.389595126e+00 3.62 -1.384510096e+00 3.64 -1.379585059e+00 3.66 -1.374814801e+00 3.68 -1.370205621e+00 3.70 -1.365999984e+00 3.72 -1.362289095e+00 3.74 -1.359061955e+00 3.76 -1.356307875e+00 3.78 -1.354016462e+00 3.80 -1.352177614e+00 3.82 -1.350781507e+00 3.84 -1.349815414e+00 3.86 -1.348696302e+00 3.88 -1.347003694e+00 3.90 -1.344746403e+00 3.92 -1.341933099e+00 3.94 -1.338572311e+00 3.96 -1.334672425e+00 3.98 -1.330241691e+00 4.00 -1.325288225e+00 4.02 -1.319820007e+00 4.04 -1.313844888e+00 4.06 -1.307370591e+00 4.08 -1.300404710e+00 4.10 -1.292954717e+00 4.12 -1.285027960e+00 4.14 -1.276631667e+00 4.16 -1.267772950e+00 4.18 -1.258458801e+00 4.20 -1.248696099e+00 4.22 -1.238491613e+00 4.24 -1.227851998e+00 4.26 -1.216783802e+00 4.28 -1.205293465e+00 4.30 -1.193387324e+00 4.32 -1.181071611e+00 4.34 -1.168352456e+00 4.36 -1.155235890e+00 4.38 -1.141727847e+00 4.40 -1.127834163e+00 4.42 -1.113560578e+00 4.44 -1.098912742e+00 4.46 -1.083896211e+00 4.48 -1.068516450e+00 4.50 -1.052778839e+00 4.52 -1.036935438e+00 4.54 -1.021282117e+00 4.56 -1.005816462e+00 4.58 -9.905355300e-01 4.60 -9.754364375e-01 4.62 -9.605163659e-01 4.64 -9.457725569e-01 4.66 -9.312023112e-01 4.68 -9.168029870e-01 4.70 -9.025719986e-01 4.72 -8.885068142e-01 4.74 -8.746049553e-01 4.76 -8.608639945e-01 4.78 -8.472815546e-01 4.80 -8.338553073e-01 4.82 -8.205829714e-01 4.84 -8.074623122e-01 4.86 -7.944911397e-01 4.88 -7.816673078e-01 4.90 -7.689887131e-01 4.92 -7.564532936e-01 4.94 -7.440590281e-01 4.96 -7.318039345e-01 4.98 -7.196860693e-01 5.00 -7.077035266e-01 5.02 -6.958544368e-01 5.04 -6.841369661e-01 5.06 -6.725493154e-01 5.08 -6.610897195e-01 5.10 -6.497564462e-01 5.12 -6.385477957e-01 5.14 -6.274620995e-01 5.16 -6.164977198e-01 5.18 -6.056530490e-01 5.20 -5.949265086e-01 5.22 -5.843165485e-01 5.24 -5.738216467e-01 5.26 -5.634403085e-01 5.28 -5.531710657e-01 5.30 -5.430124759e-01 5.32 -5.329631224e-01 5.34 -5.230216131e-01 5.36 -5.131865801e-01 5.38 -5.034566794e-01 5.40 -4.938305900e-01 5.42 -4.843070135e-01 5.44 -4.748846736e-01 5.46 -4.655623158e-01 5.48 -4.563387066e-01 5.50 -4.472126332e-01 5.52 -4.381829032e-01 5.54 -4.292483437e-01 5.56 -4.204078015e-01 5.58 -4.116601420e-01 5.60 -4.030042494e-01 5.62 -3.944390260e-01 5.64 -3.859633918e-01 5.66 -3.775762842e-01 5.68 -3.692766577e-01 5.70 -3.610634834e-01 5.72 -3.529357488e-01 5.74 -3.448924573e-01 5.76 -3.369326279e-01 5.78 -3.290552951e-01 5.80 -3.212595083e-01 5.82 -3.135443318e-01 5.84 -3.059088440e-01 5.86 -2.983521378e-01 5.88 -2.908733197e-01 5.90 -2.834715099e-01 5.92 -2.761458419e-01 5.94 -2.688954621e-01 5.96 -2.617195300e-01 5.98 -2.546172173e-01 6.00 -2.475877083e-01