# 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 = CuNi2 # 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 5.791706433e+01 1.00 5.491720659e+01 1.02 5.228607104e+01 1.04 4.997724644e+01 1.06 4.796348606e+01 1.08 4.619728218e+01 1.10 4.466582911e+01 1.12 4.335369150e+01 1.14 4.225045663e+01 1.16 4.132671732e+01 1.18 4.056095219e+01 1.20 3.992520990e+01 1.22 3.918582729e+01 1.24 3.821033433e+01 1.26 3.661146597e+01 1.28 3.490564998e+01 1.30 3.314801308e+01 1.32 3.137093592e+01 1.34 2.959825205e+01 1.36 2.784717349e+01 1.38 2.613772217e+01 1.40 2.447364041e+01 1.42 2.285634112e+01 1.44 2.128464773e+01 1.46 1.976806796e+01 1.48 1.830818658e+01 1.50 1.690847782e+01 1.52 1.557153047e+01 1.54 1.429245995e+01 1.56 1.307590503e+01 1.58 1.192441593e+01 1.60 1.083439235e+01 1.62 9.803263396e+00 1.64 8.828041249e+00 1.66 7.904722272e+00 1.68 7.029565590e+00 1.70 6.205244746e+00 1.72 5.429766227e+00 1.74 4.699864239e+00 1.76 4.013272484e+00 1.78 3.370221952e+00 1.80 2.767813209e+00 1.82 2.202668257e+00 1.84 1.671332864e+00 1.86 1.170974533e+00 1.88 7.061891744e-01 1.90 2.769040338e-01 1.92 -1.195886453e-01 1.94 -4.855820265e-01 1.96 -8.229234176e-01 1.98 -1.132641089e+00 2.00 -1.415965280e+00 2.02 -1.674885156e+00 2.04 -1.911212327e+00 2.06 -2.126698618e+00 2.08 -2.323044727e+00 2.10 -2.501938466e+00 2.12 -2.665295969e+00 2.14 -2.812236763e+00 2.16 -2.942993612e+00 2.18 -3.058893913e+00 2.20 -3.161115638e+00 2.22 -3.250770659e+00 2.24 -3.328704192e+00 2.26 -3.395306235e+00 2.28 -3.450732942e+00 2.30 -3.494831785e+00 2.32 -3.528546599e+00 2.34 -3.552592023e+00 2.36 -3.567647273e+00 2.38 -3.574358389e+00 2.40 -3.573402945e+00 2.42 -3.565510759e+00 2.44 -3.551271102e+00 2.46 -3.531261734e+00 2.48 -3.507444234e+00 2.50 -3.480383927e+00 2.52 -3.449758343e+00 2.54 -3.415448300e+00 2.56 -3.376893614e+00 2.58 -3.334402598e+00 2.60 -3.288415418e+00 2.62 -3.239244386e+00 2.64 -3.187175161e+00 2.66 -3.132488454e+00 2.68 -3.075762651e+00 2.70 -3.017356451e+00 2.72 -2.957501389e+00 2.74 -2.896363807e+00 2.76 -2.834406205e+00 2.78 -2.772354205e+00 2.80 -2.709926880e+00 2.82 -2.647253720e+00 2.84 -2.584488071e+00 2.86 -2.521754293e+00 2.88 -2.459163663e+00 2.90 -2.396815043e+00 2.92 -2.334795504e+00 2.94 -2.273180939e+00 2.96 -2.212036622e+00 2.98 -2.151417755e+00 3.00 -2.091369880e+00 3.02 -2.031929480e+00 3.04 -1.973246528e+00 3.06 -1.915452146e+00 3.08 -1.858582746e+00 3.10 -1.802670254e+00 3.12 -1.747742915e+00 3.14 -1.693825986e+00 3.16 -1.640942457e+00 3.18 -1.589113826e+00 3.20 -1.538352549e+00 3.22 -1.488541791e+00 3.24 -1.440287036e+00 3.26 -1.393771929e+00 3.28 -1.348960722e+00 3.30 -1.305953883e+00 3.32 -1.264764302e+00 3.34 -1.224607280e+00 3.36 -1.185264105e+00 3.38 -1.146666902e+00 3.40 -1.108846544e+00 3.42 -1.071778759e+00 3.44 -1.035433478e+00 3.46 -9.997773227e-01 3.48 -9.647732557e-01 3.50 -9.303804053e-01 3.52 -8.966661224e-01 3.54 -8.639171014e-01 3.56 -8.321416031e-01 3.58 -8.013313887e-01 3.60 -7.714786860e-01 3.62 -7.425762870e-01 3.64 -7.146176837e-01 3.66 -6.875972020e-01 3.68 -6.615101428e-01 3.70 -6.363529230e-01 3.72 -6.121232270e-01 3.74 -5.888201597e-01 3.76 -5.664444087e-01 3.78 -5.449984151e-01 3.80 -5.244865529e-01 3.82 -5.049153194e-01 3.84 -4.862935018e-01 3.86 -4.686178559e-01 3.88 -4.517710330e-01 3.90 -4.357307744e-01 3.92 -4.204865999e-01 3.94 -4.057691290e-01 3.96 -3.913339583e-01 3.98 -3.772371774e-01 4.00 -3.634688341e-01 4.02 -3.500143943e-01 4.04 -3.368590237e-01 4.06 -3.239875655e-01 4.08 -3.113845145e-01 4.10 -2.990346727e-01 4.12 -2.869228238e-01 4.14 -2.751224894e-01 4.16 -2.636786806e-01 4.18 -2.525658362e-01 4.20 -2.417623623e-01 4.22 -2.312553776e-01 4.24 -2.210315724e-01 4.26 -2.110860432e-01 4.28 -2.014656440e-01 4.30 -1.921749425e-01 4.32 -1.832048703e-01 4.34 -1.745468909e-01 4.36 -1.661926465e-01 4.38 -1.581339477e-01 4.40 -1.503627742e-01 4.42 -1.428712734e-01 4.44 -1.356517591e-01 4.46 -1.286967150e-01 4.48 -1.219987924e-01 4.50 -1.155508109e-01 4.52 -1.093457535e-01 4.54 -1.033767468e-01 4.56 -9.763710663e-02 4.58 -9.212032780e-02 4.60 -8.682001227e-02 4.62 -8.172995165e-02 4.64 -7.684415316e-02 4.66 -7.215663255e-02 4.68 -6.766176018e-02 4.70 -6.335387794e-02 4.72 -5.922762544e-02 4.74 -5.527769864e-02 4.76 -5.149903532e-02 4.78 -4.788659116e-02 4.80 -4.443573604e-02 4.82 -4.114150158e-02 4.84 -3.799983577e-02 4.86 -3.500587572e-02 4.88 -3.215582862e-02 4.90 -2.944568705e-02 4.92 -2.687089021e-02 4.94 -2.442860518e-02 4.96 -2.211501359e-02 4.98 -1.992566255e-02 5.00 -1.785867657e-02 5.02 -1.591086847e-02 5.04 -1.407803081e-02 5.06 -1.235715538e-02 5.08 -1.074819716e-02 5.10 -9.247504942e-03 5.12 -7.850638808e-03 5.14 -6.554648647e-03 5.16 -5.363402975e-03 5.18 -4.273667439e-03 5.20 -3.281115792e-03 5.22 -2.380900763e-03 5.24 -1.567939530e-03 5.26 -8.391725668e-04 5.28 -2.010508567e-04 5.30 3.393381718e-04 5.32 7.777541046e-04 5.34 1.112259839e-03 5.36 1.343442826e-03 5.38 1.474557328e-03 5.40 1.518855736e-03 5.42 1.479286846e-03 5.44 1.353988582e-03 5.46 1.142007712e-03 5.48 8.429068501e-04 5.50 4.560027405e-04 5.52 -1.728030405e-05 5.54 -5.729257457e-04 5.56 -1.184364024e-03 5.58 -1.701666527e-03 5.60 -2.137037074e-03 5.62 -2.575933429e-03 5.64 -3.007413173e-03 5.66 -3.418957735e-03 5.68 -3.800914947e-03 5.70 -4.147783146e-03 5.72 -4.455475712e-03 5.74 -4.719916763e-03 5.76 -4.938550308e-03 5.78 -5.110080511e-03 5.80 -5.234249167e-03 5.82 -5.311645203e-03 5.84 -5.343542524e-03 5.86 -5.331762126e-03 5.88 -5.278555565e-03 5.90 -5.186506630e-03 5.92 -5.058449030e-03 5.94 -4.897397656e-03 5.96 -4.706491683e-03 5.98 -4.488947694e-03 6.00 -4.248021502e-03