# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Murdick-D-A-Zhou-X-W-Wadley-H-N-G-et-al--Ga-As # implementation = 2006--Murdick-D-A--Ga-As--LAMMPS--ipr1 # composition = As2Ga # 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 2.00 6.565295500e+00 2.02 5.781152078e+00 2.04 5.048356047e+00 2.06 4.364543622e+00 2.08 3.727424367e+00 2.10 3.134765110e+00 2.12 2.584380634e+00 2.14 2.074123408e+00 2.16 1.601884368e+00 2.18 1.165593164e+00 2.20 7.632244203e-01 2.22 3.927989321e-01 2.24 5.240189916e-02 2.26 -2.593200287e-01 2.28 -5.443775542e-01 2.30 -8.062785610e-01 2.32 -1.046335445e+00 2.34 -1.265664265e+00 2.36 -1.465342902e+00 2.38 -1.646410185e+00 2.40 -1.809866749e+00 2.42 -1.956677515e+00 2.44 -2.087770923e+00 2.46 -2.204040842e+00 2.48 -2.306346761e+00 2.50 -2.395515516e+00 2.52 -2.472340584e+00 2.54 -2.537585300e+00 2.56 -2.591979887e+00 2.58 -2.636227157e+00 2.60 -2.670988884e+00 2.62 -2.695729049e+00 2.64 -2.710348219e+00 2.66 -2.715595620e+00 2.68 -2.712210935e+00 2.70 -2.700922058e+00 2.72 -2.682444520e+00 2.74 -2.657479403e+00 2.76 -2.626711052e+00 2.78 -2.590806042e+00 2.80 -2.550410973e+00 2.82 -2.506151013e+00 2.84 -2.458628542e+00 2.86 -2.408421198e+00 2.88 -2.356080335e+00 2.90 -2.302128409e+00 2.92 -2.247055093e+00 2.94 -2.191311917e+00 2.96 -2.135304811e+00 2.98 -2.079384422e+00 3.00 -2.023836461e+00 3.02 -1.967097500e+00 3.04 -1.907627685e+00 3.06 -1.845644533e+00 3.08 -1.781317345e+00 3.10 -1.714782576e+00 3.12 -1.646167601e+00 3.14 -1.575623881e+00 3.16 -1.503367228e+00 3.18 -1.429641265e+00 3.20 -1.354666196e+00 3.22 -1.278760087e+00 3.24 -1.202238577e+00 3.26 -1.125417308e+00 3.28 -1.048611839e+00 3.30 -9.721376947e-01 3.32 -8.963101886e-01 3.34 -8.214445784e-01 3.36 -7.478559359e-01 3.38 -6.758591047e-01 3.40 -6.057686537e-01 3.42 -5.378987866e-01 3.44 -4.725632056e-01 3.46 -4.100752164e-01 3.48 -3.507476720e-01 3.50 -2.948933886e-01 3.52 -2.428262214e-01 3.54 -1.948634861e-01 3.56 -1.513299201e-01 3.58 -1.125600517e-01 3.60 -7.888637584e-02 3.62 -5.059095841e-02 3.64 -2.781128323e-02 3.66 -1.056750338e-02 3.68 1.598164791e-04 3.70 2.825383704e-17 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