# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CoMo2 # 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 2024-04-11 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 2.917933126e+02 1.16 2.678392556e+02 1.18 2.459102137e+02 1.20 2.258260787e+02 1.22 2.074209408e+02 1.24 1.905417374e+02 1.26 1.750490011e+02 1.28 1.608173474e+02 1.30 1.477338860e+02 1.32 1.356953272e+02 1.34 1.246058533e+02 1.36 1.143769703e+02 1.38 1.049287961e+02 1.40 9.619131710e+01 1.42 8.810439242e+01 1.44 8.061631842e+01 1.46 7.368180710e+01 1.48 6.726038310e+01 1.50 6.131551351e+01 1.52 5.581411791e+01 1.54 5.072609946e+01 1.56 4.602382696e+01 1.58 4.168159169e+01 1.60 3.767507352e+01 1.62 3.398352275e+01 1.64 3.058999368e+01 1.66 2.747204712e+01 1.68 2.460794960e+01 1.70 2.197768207e+01 1.72 1.956144272e+01 1.74 1.734058328e+01 1.76 1.529788016e+01 1.78 1.341772203e+01 1.80 1.168630011e+01 1.82 1.009170987e+01 1.84 8.623896753e+00 1.86 7.274440233e+00 1.88 6.036214750e+00 1.90 4.902986860e+00 1.92 3.869018522e+00 1.94 2.928742627e+00 1.96 2.076553712e+00 1.98 1.306722198e+00 2.00 6.134045365e-01 2.02 -9.304616959e-03 2.04 -5.673304230e-01 2.06 -1.066602157e+00 2.08 -1.513036486e+00 2.10 -1.912478169e+00 2.12 -2.270577616e+00 2.14 -2.592619549e+00 2.16 -2.883343687e+00 2.18 -3.146805751e+00 2.20 -3.386314871e+00 2.22 -3.604458422e+00 2.24 -3.803198935e+00 2.26 -3.984011349e+00 2.28 -4.147870000e+00 2.30 -4.295402701e+00 2.32 -4.427910986e+00 2.34 -4.546540395e+00 2.36 -4.652287943e+00 2.38 -4.746052296e+00 2.40 -4.828658974e+00 2.42 -4.900855699e+00 2.44 -4.962941428e+00 2.46 -5.014841751e+00 2.48 -5.056567959e+00 2.50 -5.088203596e+00 2.52 -5.109879634e+00 2.54 -5.121770896e+00 2.56 -5.124116497e+00 2.58 -5.117099346e+00 2.60 -5.100912922e+00 2.62 -5.075760366e+00 2.64 -5.041835155e+00 2.66 -4.999306820e+00 2.68 -4.948317969e+00 2.70 -4.888993571e+00 2.72 -4.821455837e+00 2.74 -4.745804341e+00 2.76 -4.662145928e+00 2.78 -4.570650291e+00 2.80 -4.471561197e+00 2.82 -4.365206501e+00 2.84 -4.252009691e+00 2.86 -4.132502875e+00 2.88 -4.007339451e+00 2.90 -3.877303293e+00 2.92 -3.743310540e+00 2.94 -3.606400150e+00 2.96 -3.467710567e+00 2.98 -3.328441897e+00 3.00 -3.189805588e+00 3.02 -3.052966213e+00 3.04 -2.918981898e+00 3.06 -2.788750835e+00 3.08 -2.662970795e+00 3.10 -2.542116625e+00 3.12 -2.426437703e+00 3.14 -2.315973998e+00 3.16 -2.210586571e+00 3.18 -2.109996958e+00 3.20 -2.013829805e+00 3.22 -1.921654272e+00 3.24 -1.833021216e+00 3.26 -1.747494639e+00 3.28 -1.664676956e+00 3.30 -1.584228232e+00 3.32 -1.505879779e+00 3.34 -1.429442472e+00 3.36 -1.354810021e+00 3.38 -1.281957342e+00 3.40 -1.210934196e+00 3.42 -1.141854404e+00 3.44 -1.074881280e+00 3.46 -1.010210282e+00 3.48 -9.480502371e-01 3.50 -8.886047226e-01 3.52 -8.320551919e-01 3.54 -7.785472304e-01 3.56 -7.281808857e-01 3.58 -6.810054886e-01 3.60 -6.370188251e-01 3.62 -5.961700641e-01 3.64 -5.583655387e-01 3.66 -5.234763538e-01 3.68 -4.913468288e-01 3.70 -4.618029316e-01 3.72 -4.346600761e-01 3.74 -4.097298789e-01 3.76 -3.868256795e-01 3.78 -3.657667897e-01 3.80 -3.463815518e-01 3.82 -3.285093546e-01 3.84 -3.120017865e-01 3.86 -2.967231060e-01 3.88 -2.825502005e-01 3.90 -2.693721773e-01 3.92 -2.570897066e-01 3.94 -2.456142127e-01 3.96 -2.348669844e-01 3.98 -2.247782589e-01 4.00 -2.152863160e-01 4.02 -2.063366110e-01 4.04 -1.978809616e-01 4.06 -1.898766916e-01 4.08 -1.822860323e-01 4.10 -1.750758409e-01 4.12 -1.682166443e-01 4.14 -1.616821835e-01 4.16 -1.554490149e-01 4.18 -1.494961492e-01 4.20 -1.438047312e-01 4.22 -1.383577548e-01 4.24 -1.331398137e-01 4.26 -1.281368827e-01 4.28 -1.233361256e-01 4.30 -1.187257272e-01 4.32 -1.142947463e-01 4.34 -1.100329853e-01 4.36 -1.059308762e-01 4.38 -1.019793786e-01 4.40 -9.816988894e-02 4.42 -9.449415969e-02 4.44 -9.094422648e-02 4.46 -8.751234302e-02 4.48 -8.419092308e-02 4.50 -8.097248971e-02 4.52 -7.784963193e-02 4.54 -7.481497011e-02 4.56 -7.186113151e-02 4.58 -6.898073805e-02 4.60 -6.616640886e-02 4.62 -6.341078433e-02 4.64 -6.070657134e-02 4.66 -5.804661648e-02 4.68 -5.542401316e-02 4.70 -5.283224639e-02 4.72 -5.026537858e-02 4.74 -4.771827709e-02 4.76 -4.518688037e-02 4.78 -4.266849335e-02 4.80 -4.016209098e-02 4.82 -3.766861636e-02 4.84 -3.519122946e-02 4.86 -3.273546965e-02 4.88 -3.030928854e-02 4.90 -2.792291564e-02 4.92 -2.558853150e-02 4.94 -2.331974448e-02 4.96 -2.113064586e-02 4.98 -1.903535480e-02 5.00 -1.704739222e-02 5.02 -1.517849633e-02 5.04 -1.343794946e-02 5.06 -1.183211367e-02 5.08 -1.036421189e-02 5.10 -9.034356397e-03 5.12 -7.839793720e-03 5.14 -6.775312607e-03 5.16 -5.833751037e-03 5.18 -5.006539503e-03 5.20 -4.284227676e-03 5.22 -3.656956180e-03 5.24 -3.114850695e-03 5.26 -2.648329471e-03 5.28 -2.248325813e-03 5.30 -1.906434140e-03 5.32 -1.614991873e-03 5.34 -1.367110650e-03 5.36 -1.156669790e-03 5.38 -9.782834356e-04 5.40 -8.272507930e-04 5.42 -6.994968815e-04 5.44 -5.915092911e-04 5.46 -5.002748647e-04 5.48 -4.232189121e-04 5.50 -3.581485665e-04 5.52 -3.032011529e-04 5.54 -2.567979130e-04 5.56 -2.176030740e-04 5.58 -1.844880207e-04 5.60 -1.565001980e-04 5.62 -1.328363001e-04 5.64 -1.128192840e-04 5.66 -9.587874717e-05 5.68 -8.153424073e-05 5.70 -6.938111764e-05 5.72 -5.907856134e-05 5.74 -5.033947704e-05 5.76 -4.292196880e-05 5.78 -3.662216216e-05 5.80 -3.126816507e-05 5.82 -2.671498993e-05 5.84 -2.284028566e-05 5.86 -1.954075151e-05 5.88 -1.672912417e-05 5.90 -1.433164649e-05 5.92 -1.228594057e-05 5.94 -1.053922033e-05 5.96 -9.046788953e-06 5.98 -7.770775371e-06 6.00 -6.679071346e-06