# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2006--Erhart-P-Juslin-N-Goy-O-et-al--Zn-O # implementation = Tersoff_LAMMPS_ErhartJuslinGoy_2006_ZnO__MO_616776018688_003 # composition = O2Zn # 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 2024-11-27 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 6.561423946e+03 0.68 5.909507535e+03 0.70 5.346413756e+03 0.72 4.859041853e+03 0.74 4.413886450e+03 0.76 4.007578306e+03 0.78 3.644769963e+03 0.80 3.326095191e+03 0.82 3.047464382e+03 0.84 2.795648492e+03 0.86 2.560877138e+03 0.88 2.344830621e+03 0.90 2.150475724e+03 0.92 1.980560775e+03 0.94 1.835269442e+03 0.96 1.698205650e+03 0.98 1.560008584e+03 1.00 1.423422306e+03 1.02 1.293666951e+03 1.04 1.175561654e+03 1.06 1.072592837e+03 1.08 9.907199696e+02 1.10 9.238080421e+02 1.12 8.651299407e+02 1.14 8.114813539e+02 1.16 7.609509277e+02 1.18 7.116680252e+02 1.20 6.637938897e+02 1.22 6.177774201e+02 1.24 5.741652502e+02 1.26 5.333890781e+02 1.28 4.939033808e+02 1.30 4.564059749e+02 1.32 4.221040546e+02 1.34 3.907752020e+02 1.36 3.616226021e+02 1.38 3.350689168e+02 1.40 3.110162079e+02 1.42 2.893596264e+02 1.44 2.700526054e+02 1.46 2.528823099e+02 1.48 2.370315399e+02 1.50 2.216075806e+02 1.52 2.066311903e+02 1.54 1.921946777e+02 1.56 1.784968016e+02 1.58 1.658746368e+02 1.60 1.547651966e+02 1.62 1.455322328e+02 1.64 1.374039611e+02 1.66 1.289816595e+02 1.68 1.203096399e+02 1.70 1.114356218e+02 1.72 1.023988961e+02 1.74 9.324665393e+01 1.76 8.405975832e+01 1.78 7.499173620e+01 1.80 6.631870385e+01 1.82 5.847744862e+01 1.84 5.203175693e+01 1.86 4.749429157e+01 1.88 4.469451652e+01 1.90 4.218731804e+01 1.92 3.981988669e+01 1.94 3.758444773e+01 1.96 3.544911727e+01 1.98 3.330362425e+01 2.00 3.114391537e+01 2.02 2.897503765e+01 2.04 2.679721134e+01 2.06 2.460604541e+01 2.08 2.239249041e+01 2.10 2.014257950e+01 2.12 1.783707161e+01 2.14 1.545130260e+01 2.16 1.295605290e+01 2.18 1.032146977e+01 2.20 7.528870058e+00 2.22 4.600573115e+00 2.24 1.663307630e+00 2.26 -9.552822330e-01 2.28 -2.694459773e+00 2.30 -3.077002149e+00 2.32 -3.027031071e+00 2.34 -2.974343988e+00 2.36 -2.919338585e+00 2.38 -2.862379502e+00 2.40 -2.803800654e+00 2.42 -2.736809723e+00 2.44 -2.653712451e+00 2.46 -2.553281348e+00 2.48 -2.434353052e+00 2.50 -2.296205059e+00 2.52 -2.138883291e+00 2.54 -1.963449864e+00 2.56 -1.772128695e+00 2.58 -1.568335938e+00 2.60 -1.356592089e+00 2.62 -1.142322511e+00 2.64 -9.315626453e-01 2.66 -7.305926090e-01 2.68 -5.455326393e-01 2.70 -3.819351896e-01 2.72 -2.444106985e-01 2.74 -1.363216829e-01 2.76 -5.957364990e-02 2.78 -1.452174793e-02 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