# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Beland-L-K-Lu-C-Osetskiy-Y-N-et-al--Ni-Co # implementation = 2016--Beland-L-K--Ni-Co--LAMMPS--ipr2 # composition = CoNi2 # 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 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 4.589126806e+04 1.00 4.077237494e+04 1.02 3.607855361e+04 1.04 3.175554502e+04 1.06 2.776167093e+04 1.08 2.405721601e+04 1.10 2.061237283e+04 1.12 1.739925131e+04 1.14 1.440141760e+04 1.16 1.159841666e+04 1.18 8.973003752e+03 1.20 6.509281635e+03 1.22 4.192114648e+03 1.24 2.250535048e+03 1.26 1.032057180e+03 1.28 3.604698719e+02 1.30 5.780512086e+01 1.32 -3.619300141e+01 1.34 -3.831737279e+01 1.36 -2.473224959e+01 1.38 -1.454837289e+01 1.40 -7.024953258e+00 1.42 -1.511216855e+00 1.44 2.487960516e+00 1.46 5.356638471e+00 1.48 7.322583963e+00 1.50 8.638337452e+00 1.52 9.443963571e+00 1.54 9.854521418e+00 1.56 9.966385420e+00 1.58 9.856105212e+00 1.60 9.581988186e+00 1.62 9.193273042e+00 1.64 8.723147658e+00 1.66 8.195261628e+00 1.68 7.625766098e+00 1.70 7.026543905e+00 1.72 6.406162390e+00 1.74 5.772445532e+00 1.76 5.132489576e+00 1.78 4.497485196e+00 1.80 3.875273544e+00 1.82 3.271933322e+00 1.84 2.691501374e+00 1.86 2.135891540e+00 1.88 1.605973185e+00 1.90 1.100581815e+00 1.92 6.180762569e-01 1.94 1.560627679e-01 1.96 -2.885069912e-01 1.98 -7.187965344e-01 2.00 -1.138324644e+00 2.02 -1.529415544e+00 2.04 -1.875408216e+00 2.06 -2.180961118e+00 2.08 -2.450200136e+00 2.10 -2.686923308e+00 2.12 -2.893921240e+00 2.14 -3.074382400e+00 2.16 -3.230760100e+00 2.18 -3.365242614e+00 2.20 -3.479778840e+00 2.22 -3.576096804e+00 2.24 -3.655774118e+00 2.26 -3.720014423e+00 2.28 -3.770176732e+00 2.30 -3.807391648e+00 2.32 -3.832745530e+00 2.34 -3.847285813e+00 2.36 -3.852021901e+00 2.38 -3.847921819e+00 2.40 -3.835905125e+00 2.42 -3.816835795e+00 2.44 -3.791516338e+00 2.46 -3.760683439e+00 2.48 -3.725005754e+00 2.50 -3.685084363e+00 2.52 -3.641459207e+00 2.54 -3.594589819e+00 2.56 -3.544898200e+00 2.58 -3.492730694e+00 2.60 -3.438370783e+00 2.62 -3.382030461e+00 2.64 -3.323877290e+00 2.66 -3.264062684e+00 2.68 -3.202733475e+00 2.70 -3.140044014e+00 2.72 -3.076167131e+00 2.74 -3.011279562e+00 2.76 -2.945577028e+00 2.78 -2.879229362e+00 2.80 -2.812425404e+00 2.82 -2.745362167e+00 2.84 -2.678245306e+00 2.86 -2.611287341e+00 2.88 -2.544703522e+00 2.90 -2.478705504e+00 2.92 -2.413493284e+00 2.94 -2.349246080e+00 2.96 -2.286112959e+00 2.98 -2.224203966e+00 3.00 -2.163582413e+00 3.02 -2.104258606e+00 3.04 -2.046184943e+00 3.06 -1.989251786e+00 3.08 -1.933282761e+00 3.10 -1.878028017e+00 3.12 -1.823157773e+00 3.14 -1.768260962e+00 3.16 -1.712852602e+00 3.18 -1.656423212e+00 3.20 -1.598724982e+00 3.22 -1.540492748e+00 3.24 -1.483777553e+00 3.26 -1.430428289e+00 3.28 -1.380546498e+00 3.30 -1.333019485e+00 3.32 -1.287463475e+00 3.34 -1.242923924e+00 3.36 -1.201060980e+00 3.38 -1.166396967e+00 3.40 -1.138778504e+00 3.42 -1.115144319e+00 3.44 -1.093754720e+00 3.46 -1.073797946e+00 3.48 -1.054857619e+00 3.50 -1.036700350e+00 3.52 -1.019185361e+00 3.54 -1.002222218e+00 3.56 -9.857495470e-01 3.58 -9.697236633e-01 3.60 -9.541121635e-01 3.62 -9.388901650e-01 3.64 -9.240380133e-01 3.66 -9.095398253e-01 3.68 -8.953825296e-01 3.70 -8.815552103e-01 3.72 -8.680486360e-01 3.74 -8.548549110e-01 3.76 -8.419672022e-01 3.78 -8.293795147e-01 3.80 -8.170865048e-01 3.82 -8.050833131e-01 3.84 -7.933654171e-01 3.86 -7.819272879e-01 3.88 -7.707676413e-01 3.90 -7.598803119e-01 3.92 -7.492609292e-01 3.94 -7.389049307e-01 3.96 -7.288074759e-01 3.98 -7.189633712e-01 4.00 -7.093670024e-01 4.02 -7.000122783e-01 4.04 -6.908925807e-01 4.06 -6.820007328e-01 4.08 -6.733289734e-01 4.10 -6.648689468e-01 4.12 -6.566117065e-01 4.14 -6.485477306e-01 4.16 -6.406669486e-01 4.18 -6.329587915e-01 4.20 -6.254122488e-01 4.22 -6.180159466e-01 4.24 -6.107582379e-01 4.26 -6.036273113e-01 4.28 -5.966113185e-01 4.30 -5.896985220e-01 4.32 -5.828774233e-01 4.34 -5.761369670e-01 4.36 -5.694667357e-01 4.38 -5.628570765e-01 4.40 -5.562996483e-01 4.42 -5.497869968e-01 4.44 -5.433134434e-01 4.46 -5.368743817e-01 4.48 -5.304702836e-01 4.50 -5.241049568e-01 4.52 -5.177761557e-01 4.54 -5.114758774e-01 4.56 -5.052001762e-01 4.58 -4.989520094e-01 4.60 -4.927419498e-01 4.62 -4.865762851e-01 4.64 -4.804571199e-01 4.66 -4.743829263e-01 4.68 -4.683460566e-01 4.70 -4.623416222e-01 4.72 -4.563650185e-01 4.74 -4.504109870e-01 4.76 -4.444737359e-01 4.78 -4.385470365e-01 4.80 -4.326243129e-01 4.82 -4.266987252e-01 4.84 -4.207632411e-01 4.86 -4.148107184e-01 4.88 -4.088339780e-01 4.90 -4.028258672e-01 4.92 -3.967793582e-01 4.94 -3.906876246e-01 4.96 -3.845441290e-01 4.98 -3.783427166e-01 5.00 -3.720777039e-01 5.02 -3.657439654e-01 5.04 -3.593370447e-01 5.06 -3.528532565e-01 5.08 -3.462897939e-01 5.10 -3.396448391e-01 5.12 -3.329176261e-01 5.14 -3.261085856e-01 5.16 -3.192194445e-01 5.18 -3.122533390e-01 5.20 -3.052146574e-01 5.22 -2.981083329e-01 5.24 -2.909397371e-01 5.26 -2.837146451e-01 5.28 -2.764392964e-01 5.30 -2.691202223e-01 5.32 -2.617642399e-01 5.34 -2.543784923e-01 5.36 -2.469704175e-01 5.38 -2.395477827e-01 5.40 -2.321184914e-01 5.42 -2.246904595e-01 5.44 -2.172718646e-01 5.46 -2.098709463e-01 5.48 -2.024962925e-01 5.50 -1.951563017e-01 5.52 -1.878592783e-01 5.54 -1.806134863e-01 5.56 -1.734272005e-01 5.58 -1.663084130e-01 5.60 -1.592661067e-01 5.62 -1.523087705e-01 5.64 -1.454441898e-01 5.66 -1.386798508e-01 5.68 -1.320230222e-01 5.70 -1.254808359e-01 5.72 -1.190595981e-01 5.74 -1.127666886e-01 5.76 -1.066068796e-01 5.78 -1.006161874e-01 5.80 -9.480643199e-02 5.82 -8.910671005e-02 5.84 -8.347873327e-02 5.86 -7.797073201e-02 5.88 -7.263791957e-02 5.90 -6.752426183e-02 5.92 -6.265874462e-02 5.94 -5.808551508e-02 5.96 -5.383895073e-02 5.98 -4.993757789e-02 6.00 -4.638384504e-02