# 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 = Co2Pt # 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 2.509673339e+02 1.16 2.312028939e+02 1.18 2.130207302e+02 1.20 1.962678579e+02 1.22 1.808059335e+02 1.24 1.665174880e+02 1.26 1.532985893e+02 1.28 1.410533604e+02 1.30 1.296958303e+02 1.32 1.191541534e+02 1.34 1.093707196e+02 1.36 1.002956853e+02 1.38 9.187884766e+01 1.40 8.406661804e+01 1.42 7.680475690e+01 1.44 7.004323160e+01 1.46 6.374008052e+01 1.48 5.786216226e+01 1.50 5.238233725e+01 1.52 4.727541611e+01 1.54 4.251670488e+01 1.56 3.810705320e+01 1.58 3.408928685e+01 1.60 3.042938491e+01 1.62 2.709235445e+01 1.64 2.404771735e+01 1.66 2.126947229e+01 1.68 1.873570905e+01 1.70 1.642774213e+01 1.72 1.432895729e+01 1.74 1.242366567e+01 1.76 1.069630055e+01 1.78 9.131282452e+00 1.80 7.713518096e+00 1.82 6.429065960e+00 1.84 5.265511015e+00 1.86 4.211937911e+00 1.88 3.258649622e+00 1.90 2.396825121e+00 1.92 1.618265607e+00 1.94 9.153138586e-01 1.96 2.809327668e-01 1.98 -2.911723859e-01 2.00 -8.065157477e-01 2.02 -1.269912334e+00 2.04 -1.685624457e+00 2.06 -2.057508012e+00 2.08 -2.389128571e+00 2.10 -2.683841428e+00 2.12 -2.944833441e+00 2.14 -3.175125120e+00 2.16 -3.377539314e+00 2.18 -3.554654885e+00 2.20 -3.708769396e+00 2.22 -3.842300243e+00 2.24 -3.958741755e+00 2.26 -4.059178592e+00 2.28 -4.144324722e+00 2.30 -4.214860329e+00 2.32 -4.271445358e+00 2.34 -4.314825633e+00 2.36 -4.345637242e+00 2.38 -4.364415381e+00 2.40 -4.371734270e+00 2.42 -4.368212458e+00 2.44 -4.354525134e+00 2.46 -4.331422703e+00 2.48 -4.299750046e+00 2.50 -4.260384032e+00 2.52 -4.214147618e+00 2.54 -4.161967550e+00 2.56 -4.104851832e+00 2.58 -4.043818355e+00 2.60 -3.979814870e+00 2.62 -3.913647193e+00 2.64 -3.845931698e+00 2.66 -3.777081192e+00 2.68 -3.707323025e+00 2.70 -3.636739007e+00 2.72 -3.565312959e+00 2.74 -3.492973934e+00 2.76 -3.419628878e+00 2.78 -3.345184096e+00 2.80 -3.269558485e+00 2.82 -3.192692613e+00 2.84 -3.114557473e+00 2.86 -3.035165362e+00 2.88 -2.954583679e+00 2.90 -2.872950472e+00 2.92 -2.790488504e+00 2.94 -2.707513280e+00 2.96 -2.624496001e+00 2.98 -2.542139227e+00 3.00 -2.461154411e+00 3.02 -2.382180428e+00 3.04 -2.305741049e+00 3.06 -2.232215682e+00 3.08 -2.161828495e+00 3.10 -2.094656111e+00 3.12 -2.030650043e+00 3.14 -1.969667880e+00 3.16 -1.911506824e+00 3.18 -1.855934390e+00 3.20 -1.802712961e+00 3.22 -1.751617013e+00 3.24 -1.702443432e+00 3.26 -1.655016239e+00 3.28 -1.609187324e+00 3.30 -1.564834660e+00 3.32 -1.521859137e+00 3.34 -1.480180866e+00 3.36 -1.439735448e+00 3.38 -1.400470546e+00 3.40 -1.362342889e+00 3.42 -1.325315782e+00 3.44 -1.289357059e+00 3.46 -1.254437477e+00 3.48 -1.220529438e+00 3.50 -1.187605993e+00 3.52 -1.155640077e+00 3.54 -1.124603906e+00 3.56 -1.094468550e+00 3.58 -1.065203640e+00 3.60 -1.036777233e+00 3.62 -1.009155836e+00 3.64 -9.823046122e-01 3.66 -9.561877464e-01 3.68 -9.307689877e-01 3.70 -9.060123111e-01 3.72 -8.818826577e-01 3.74 -8.583466792e-01 3.76 -8.353734131e-01 3.78 -8.129348163e-01 3.80 -7.910061037e-01 3.82 -7.695658633e-01 3.84 -7.485959469e-01 3.86 -7.280811620e-01 3.88 -7.080088107e-01 3.90 -6.883681300e-01 3.92 -6.691496939e-01 3.94 -6.503448288e-01 3.96 -6.319450868e-01 3.98 -6.139418128e-01 4.00 -5.963258283e-01 4.02 -5.790872486e-01 4.04 -5.622154424e-01 4.06 -5.456991406e-01 4.08 -5.295266943e-01 4.10 -5.136864739e-01 4.12 -4.981674199e-01 4.14 -4.829596570e-01 4.16 -4.680552092e-01 4.18 -4.534486783e-01 4.20 -4.391378156e-01 4.22 -4.251238662e-01 4.24 -4.114115656e-01 4.26 -3.980086908e-01 4.28 -3.849251265e-01 4.30 -3.721714850e-01 4.32 -3.597574160e-01 4.34 -3.476898207e-01 4.36 -3.359712208e-01 4.38 -3.245985168e-01 4.40 -3.135622942e-01 4.42 -3.028467326e-01 4.44 -2.924300676e-01 4.46 -2.822854787e-01 4.48 -2.723822418e-01 4.50 -2.626869931e-01 4.52 -2.531649848e-01 4.54 -2.437812626e-01 4.56 -2.345017408e-01 4.58 -2.252941826e-01 4.60 -2.161291163e-01 4.62 -2.069807190e-01 4.64 -1.978276954e-01 4.66 -1.886541604e-01 4.68 -1.794505113e-01 4.70 -1.702142506e-01 4.72 -1.609506942e-01 4.74 -1.516734794e-01 4.76 -1.424047741e-01 4.78 -1.331750927e-01 4.80 -1.240226405e-01 4.82 -1.149921506e-01 4.84 -1.061332156e-01 4.86 -9.749820306e-02 4.88 -8.913987807e-02 4.90 -8.110891960e-02 4.92 -7.345153666e-02 4.94 -6.620738573e-02 4.96 -5.940795331e-02 4.98 -5.307552739e-02 5.00 -4.722278455e-02 5.02 -4.185296237e-02 5.04 -3.696054806e-02 5.06 -3.253235579e-02 5.08 -2.854934949e-02 5.10 -2.498741987e-02 5.12 -2.181805190e-02 5.14 -1.901084147e-02 5.16 -1.653455588e-02 5.18 -1.435779751e-02 5.20 -1.245068524e-02 5.22 -1.078474066e-02 5.24 -9.333165406e-03 5.26 -8.071122230e-03 5.28 -6.975879609e-03 5.30 -6.026851173e-03 5.32 -5.205557550e-03 5.34 -4.495534012e-03 5.36 -3.882202912e-03 5.38 -3.352725804e-03 5.40 -2.895846473e-03 5.42 -2.501733049e-03 5.44 -2.161824839e-03 5.46 -1.868687590e-03 5.48 -1.615879360e-03 5.50 -1.397828094e-03 5.52 -1.209721220e-03 5.54 -1.047407025e-03 5.56 -9.073072402e-04 5.58 -7.863400500e-04 5.60 -6.818526282e-04 5.62 -5.915622800e-04 5.64 -5.135052671e-04 5.66 -4.459924433e-04 5.68 -3.875708832e-04 5.70 -3.369907605e-04 5.72 -2.931768008e-04 5.74 -2.552037079e-04 5.76 -2.222750329e-04 5.78 -1.937050157e-04 5.80 -1.689029916e-04 5.82 -1.473600047e-04 5.84 -1.286373205e-04 5.86 -1.123565677e-04 5.88 -9.819128059e-05 5.90 -8.585964120e-05 5.92 -7.511825135e-05 5.94 -6.575678662e-05 5.96 -5.759340684e-05 5.98 -5.047081462e-05 6.00 -4.425286944e-05