# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Onat-B-Durukanoglu-S--Cu-Ni # implementation = 2013--Onat-B--Cu-Ni--LAMMPS--ipr2 # composition = Cu2Ni # 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 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 6.256273816e+01 1.00 5.982174730e+01 1.02 5.740767929e+01 1.04 5.529467479e+01 1.06 5.343967265e+01 1.08 5.180688751e+01 1.10 5.038821950e+01 1.12 4.916876982e+01 1.14 4.813573724e+01 1.16 4.725896937e+01 1.18 4.652086067e+01 1.20 4.584915265e+01 1.22 4.485524233e+01 1.24 4.288234182e+01 1.26 4.082999602e+01 1.28 3.873843557e+01 1.30 3.664536430e+01 1.32 3.457448412e+01 1.34 3.254427474e+01 1.36 3.056906507e+01 1.38 2.865629240e+01 1.40 2.680727355e+01 1.42 2.502071205e+01 1.44 2.329370052e+01 1.46 2.163439622e+01 1.48 2.004628411e+01 1.50 1.853056420e+01 1.52 1.708628172e+01 1.54 1.571122440e+01 1.56 1.440641499e+01 1.58 1.317221975e+01 1.60 1.200513661e+01 1.62 1.090185496e+01 1.64 9.858660632e+00 1.66 8.872580601e+00 1.68 7.941486709e+00 1.70 7.064147223e+00 1.72 6.238219917e+00 1.74 5.460911906e+00 1.76 4.730814394e+00 1.78 4.046434837e+00 1.80 3.404689745e+00 1.82 2.802288290e+00 1.84 2.238132686e+00 1.86 1.709672605e+00 1.88 1.217840029e+00 1.90 7.628193507e-01 1.92 3.419390110e-01 1.94 -4.692675516e-02 1.96 -4.051404529e-01 1.98 -7.341745517e-01 2.00 -1.035616805e+00 2.02 -1.311408385e+00 2.04 -1.563377471e+00 2.06 -1.793301170e+00 2.08 -2.002913244e+00 2.10 -2.193941472e+00 2.12 -2.368347454e+00 2.14 -2.525299213e+00 2.16 -2.665084080e+00 2.18 -2.789102494e+00 2.20 -2.898616922e+00 2.22 -2.994811813e+00 2.24 -3.078697276e+00 2.26 -3.150464555e+00 2.28 -3.210394477e+00 2.30 -3.258479574e+00 2.32 -3.295616408e+00 2.34 -3.322729220e+00 2.36 -3.340804649e+00 2.38 -3.350543028e+00 2.40 -3.352625662e+00 2.42 -3.348388258e+00 2.44 -3.339442663e+00 2.46 -3.325400268e+00 2.48 -3.306319427e+00 2.50 -3.282731649e+00 2.52 -3.255323650e+00 2.54 -3.223718488e+00 2.56 -3.187265379e+00 2.58 -3.146799508e+00 2.60 -3.103351217e+00 2.62 -3.057256790e+00 2.64 -3.008826907e+00 2.66 -2.958350790e+00 2.68 -2.906099842e+00 2.70 -2.852564242e+00 2.72 -2.798197612e+00 2.74 -2.743093605e+00 2.76 -2.687238501e+00 2.78 -2.630766780e+00 2.80 -2.573639422e+00 2.82 -2.515968534e+00 2.84 -2.457868348e+00 2.86 -2.399429802e+00 2.88 -2.340726663e+00 2.90 -2.282000278e+00 2.92 -2.223662791e+00 2.94 -2.165810240e+00 2.96 -2.108522374e+00 2.98 -2.051871972e+00 3.00 -1.995925522e+00 3.02 -1.940743931e+00 3.04 -1.886383208e+00 3.06 -1.832895143e+00 3.08 -1.780327966e+00 3.10 -1.728727016e+00 3.12 -1.678135401e+00 3.14 -1.628592736e+00 3.16 -1.580053162e+00 3.18 -1.532305280e+00 3.20 -1.485350562e+00 3.22 -1.439204382e+00 3.24 -1.394092872e+00 3.26 -1.350150150e+00 3.28 -1.307340764e+00 3.30 -1.265723235e+00 3.32 -1.225268505e+00 3.34 -1.185141025e+00 3.36 -1.145444687e+00 3.38 -1.106669746e+00 3.40 -1.068864046e+00 3.42 -1.032026797e+00 3.44 -9.961540830e-01 3.46 -9.612413134e-01 3.48 -9.272833725e-01 3.50 -8.942747528e-01 3.52 -8.622096976e-01 3.54 -8.310823291e-01 3.56 -8.008867885e-01 3.58 -7.716173635e-01 3.60 -7.432686249e-01 3.62 -7.158355572e-01 3.64 -6.893136972e-01 3.66 -6.636992683e-01 3.68 -6.389893240e-01 3.70 -6.151818915e-01 3.72 -5.922761229e-01 3.74 -5.702724514e-01 3.76 -5.491727557e-01 3.78 -5.289805326e-01 3.80 -5.097010795e-01 3.82 -4.913416894e-01 3.84 -4.739117889e-01 3.86 -4.573942473e-01 3.88 -4.415412288e-01 3.90 -4.262914258e-01 3.92 -4.116312932e-01 3.94 -3.974172999e-01 3.96 -3.835201821e-01 3.98 -3.699569242e-01 4.00 -3.567127891e-01 4.02 -3.437704175e-01 4.04 -3.311117988e-01 4.06 -3.187183007e-01 4.08 -3.065690864e-01 4.10 -2.947153664e-01 4.12 -2.832328292e-01 4.14 -2.721106820e-01 4.16 -2.613379831e-01 4.18 -2.509036126e-01 4.20 -2.407965046e-01 4.22 -2.310056487e-01 4.24 -2.215200851e-01 4.26 -2.123288992e-01 4.28 -2.034212213e-01 4.30 -1.947861736e-01 4.32 -1.864131582e-01 4.34 -1.783079449e-01 4.36 -1.704973437e-01 4.38 -1.629802643e-01 4.40 -1.557390904e-01 4.42 -1.487649720e-01 4.44 -1.420499907e-01 4.46 -1.355863810e-01 4.48 -1.293665568e-01 4.50 -1.233831014e-01 4.52 -1.176287694e-01 4.54 -1.120964841e-01 4.56 -1.067793376e-01 4.58 -1.016705825e-01 4.60 -9.676363977e-02 4.62 -9.205210970e-02 4.64 -8.752974688e-02 4.66 -8.319042262e-02 4.68 -7.902823191e-02 4.70 -7.503742735e-02 4.72 -7.121234965e-02 4.74 -6.754762537e-02 4.76 -6.403787106e-02 4.78 -6.067801500e-02 4.80 -5.746299109e-02 4.82 -5.438806676e-02 4.84 -5.144837689e-02 4.86 -4.863961014e-02 4.88 -4.595709893e-02 4.90 -4.339684013e-02 4.92 -4.095465256e-02 4.94 -3.862634059e-02 4.96 -3.640858131e-02 4.98 -3.429730766e-02 5.00 -3.228905896e-02 5.02 -3.038085571e-02 5.04 -2.856901951e-02 5.06 -2.684935134e-02 5.08 -2.521785576e-02 5.10 -2.367423996e-02 5.12 -2.221836994e-02 5.14 -2.084944465e-02 5.16 -1.956373967e-02 5.18 -1.835547884e-02 5.20 -1.722256363e-02 5.22 -1.616243934e-02 5.24 -1.517376851e-02 5.26 -1.425496398e-02 5.28 -1.340454002e-02 5.30 -1.262110389e-02 5.32 -1.190118382e-02 5.34 -1.124083838e-02 5.36 -1.063714120e-02 5.38 -1.009006081e-02 5.40 -9.603078839e-03 5.42 -9.176229541e-03 5.44 -8.806770192e-03 5.46 -8.502524528e-03 5.48 -8.207318030e-03 5.50 -7.924431255e-03 5.52 -7.659531906e-03 5.54 -7.415097336e-03 5.56 -7.192247447e-03 5.58 -6.991025154e-03 5.60 -6.808627516e-03 5.62 -6.636614574e-03 5.64 -6.475415307e-03 5.66 -6.325557264e-03 5.68 -6.186786119e-03 5.70 -6.058257040e-03 5.72 -5.938695407e-03 5.74 -5.826530455e-03 5.76 -5.720005917e-03 5.78 -5.621134689e-03 5.80 -5.543438106e-03 5.82 -5.475877271e-03 5.84 -5.406996211e-03 5.86 -5.328227945e-03 5.88 -5.233412962e-03 5.90 -5.118386195e-03 5.92 -4.980623963e-03 5.94 -4.818942806e-03 5.96 -4.633243510e-03 5.98 -4.424294112e-03 6.00 -4.193546706e-03