# 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 = AsGa2 # 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 5.871349939e+00 2.02 5.144905140e+00 2.04 4.464995151e+00 2.06 3.829713695e+00 2.08 3.237210024e+00 2.10 2.685670159e+00 2.12 2.173308139e+00 2.14 1.698356162e+00 2.16 1.259068953e+00 2.18 8.537332691e-01 2.20 4.806822875e-01 2.22 1.383086786e-01 2.24 -1.749069354e-01 2.26 -4.601029608e-01 2.28 -7.197640904e-01 2.30 -9.586310336e-01 2.32 -1.177965186e+00 2.34 -1.378736378e+00 2.36 -1.561881922e+00 2.38 -1.728304919e+00 2.40 -1.878875211e+00 2.42 -2.014431512e+00 2.44 -2.135781618e+00 2.46 -2.243703782e+00 2.48 -2.338946621e+00 2.50 -2.422231034e+00 2.52 -2.494249702e+00 2.54 -2.555669952e+00 2.56 -2.607130934e+00 2.58 -2.649248934e+00 2.60 -2.682597815e+00 2.62 -2.705800271e+00 2.64 -2.718211234e+00 2.66 -2.720587784e+00 2.68 -2.713676443e+00 2.70 -2.698212945e+00 2.72 -2.674924553e+00 2.74 -2.644530545e+00 2.76 -2.607743521e+00 2.78 -2.565272110e+00 2.80 -2.517822562e+00 2.82 -2.466100962e+00 2.84 -2.410815500e+00 2.86 -2.352677426e+00 2.88 -2.292401269e+00 2.90 -2.230702308e+00 2.92 -2.168290846e+00 2.94 -2.105861545e+00 2.96 -2.044076902e+00 2.98 -1.983544110e+00 3.00 -1.924785993e+00 3.02 -1.866553416e+00 3.04 -1.807498114e+00 3.06 -1.747792589e+00 3.08 -1.687453022e+00 3.10 -1.626340400e+00 3.12 -1.564177665e+00 3.14 -1.500585767e+00 3.16 -1.435138821e+00 3.18 -1.367441889e+00 3.20 -1.297228941e+00 3.22 -1.225013872e+00 3.24 -1.152095008e+00 3.26 -1.078821695e+00 3.28 -1.005500618e+00 3.30 -9.324384177e-01 3.32 -8.599415098e-01 3.34 -7.883162333e-01 3.36 -7.178687232e-01 3.38 -6.489048646e-01 3.40 -5.817302499e-01 3.42 -5.166501020e-01 3.44 -4.539691737e-01 3.46 -3.939919258e-01 3.48 -3.370226402e-01 3.50 -2.833661641e-01 3.52 -2.333295709e-01 3.54 -1.872254148e-01 3.56 -1.453762729e-01 3.58 -1.081159484e-01 3.60 -7.577356186e-02 3.62 -4.862254695e-02 3.64 -2.679327960e-02 3.66 -1.028145379e-02 3.68 1.593888158e-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