# 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_002 # composition = OZn2 # 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 7.108136809e+03 0.68 6.419351453e+03 0.70 5.815476962e+03 0.72 5.281255239e+03 0.74 4.798218226e+03 0.76 4.357922448e+03 0.78 3.964253058e+03 0.80 3.618443859e+03 0.82 3.308326010e+03 0.84 3.019294838e+03 0.86 2.750284094e+03 0.88 2.507786157e+03 0.90 2.293970501e+03 0.92 2.109565098e+03 0.94 1.957845295e+03 0.96 1.821192919e+03 0.98 1.687452264e+03 1.00 1.556697807e+03 1.02 1.431942637e+03 1.04 1.315654254e+03 1.06 1.207899166e+03 1.08 1.110831144e+03 1.10 1.023341071e+03 1.12 9.442808822e+02 1.14 8.734216744e+02 1.16 8.115012855e+02 1.18 7.575042075e+02 1.20 7.091979571e+02 1.22 6.635442093e+02 1.24 6.206610057e+02 1.26 5.805222660e+02 1.28 5.412877927e+02 1.30 5.032536092e+02 1.32 4.673167614e+02 1.34 4.334728832e+02 1.36 4.012639697e+02 1.38 3.712026906e+02 1.40 3.430764654e+02 1.42 3.167752460e+02 1.44 2.923889736e+02 1.46 2.698173785e+02 1.48 2.483903105e+02 1.50 2.272413390e+02 1.52 2.059657214e+02 1.54 1.835404248e+02 1.56 1.582249497e+02 1.58 1.287741211e+02 1.60 9.674839276e+01 1.62 7.515720553e+01 1.64 7.003001629e+01 1.66 6.494749825e+01 1.68 5.967547454e+01 1.70 5.427398130e+01 1.72 4.880389512e+01 1.74 4.333676312e+01 1.76 3.796745339e+01 1.78 3.282781518e+01 1.80 2.809566637e+01 1.82 2.398785299e+01 1.84 2.072373221e+01 1.86 1.845672004e+01 1.88 1.703965869e+01 1.90 1.578115381e+01 1.92 1.460761452e+01 1.94 1.351355797e+01 1.96 1.249384710e+01 1.98 1.154366906e+01 2.00 1.065851491e+01 2.02 9.834160696e+00 2.04 9.066649580e+00 2.06 8.352275184e+00 2.08 7.687565925e+00 2.10 7.069270337e+00 2.12 6.494343312e+00 2.14 5.959933192e+00 2.16 5.463369667e+00 2.18 5.002152430e+00 2.20 4.573940533e+00 2.22 4.176542411e+00 2.24 3.807906521e+00 2.26 3.466112568e+00 2.28 3.149363275e+00 2.30 2.853974827e+00 2.32 2.537648201e+00 2.34 2.190412705e+00 2.36 1.820029385e+00 2.38 1.433382732e+00 2.40 1.036688957e+00 2.42 6.203653146e-01 2.44 1.879938110e-01 2.46 -2.343519611e-01 2.48 -6.212803242e-01 2.50 -9.497809511e-01 2.52 -1.200999958e+00 2.54 -1.362028266e+00 2.56 -1.427544732e+00 2.58 -1.401008887e+00 2.60 -1.294950390e+00 2.62 -1.129872695e+00 2.64 -9.315272549e-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