# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # 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 2.023710587e+02 0.82 1.929836778e+02 0.84 1.845240239e+02 0.86 1.766998223e+02 0.88 1.693160777e+02 0.90 1.622360421e+02 0.92 1.553519703e+02 0.94 1.485961917e+02 0.96 1.419196438e+02 0.98 1.353156879e+02 1.00 1.287767496e+02 1.02 1.223126504e+02 1.04 1.159393412e+02 1.06 1.096652399e+02 1.08 1.035211349e+02 1.10 9.752095515e+01 1.12 9.168317299e+01 1.14 8.601907922e+01 1.16 8.054673838e+01 1.18 7.528017496e+01 1.20 7.023058846e+01 1.22 6.539935226e+01 1.24 6.079984383e+01 1.26 5.643247449e+01 1.28 5.229727994e+01 1.30 4.839090390e+01 1.32 4.470736766e+01 1.34 4.124506604e+01 1.36 3.799949837e+01 1.38 3.496150501e+01 1.40 3.212685095e+01 1.42 2.948509903e+01 1.44 2.702640681e+01 1.46 2.474094652e+01 1.48 2.262252410e+01 1.50 2.066451278e+01 1.52 1.885772656e+01 1.54 1.719220961e+01 1.56 1.566076813e+01 1.58 1.422590106e+01 1.60 1.291398733e+01 1.62 1.165124676e+01 1.64 1.049649562e+01 1.66 9.408972926e+00 1.68 8.386554203e+00 1.70 7.427819897e+00 1.72 6.529196928e+00 1.74 5.689184603e+00 1.76 4.903611456e+00 1.78 4.170072065e+00 1.80 3.487370542e+00 1.82 2.852845993e+00 1.84 2.263926041e+00 1.86 1.718320515e+00 1.88 1.214085843e+00 1.90 7.481814120e-01 1.92 3.176219744e-01 1.94 -8.084383522e-02 1.96 -4.468545825e-01 1.98 -7.832079440e-01 2.00 -1.091220113e+00 2.02 -1.372200502e+00 2.04 -1.627090428e+00 2.06 -1.857000409e+00 2.08 -2.064958505e+00 2.10 -2.252553873e+00 2.12 -2.420895956e+00 2.14 -2.571140371e+00 2.16 -2.704815673e+00 2.18 -2.822906900e+00 2.20 -2.926403521e+00 2.22 -3.016318054e+00 2.24 -3.093605641e+00 2.26 -3.158991433e+00 2.28 -3.212664399e+00 2.30 -3.256345481e+00 2.32 -3.290772931e+00 2.34 -3.316644999e+00 2.36 -3.334618390e+00 2.38 -3.345310297e+00 2.40 -3.349300364e+00 2.42 -3.347132590e+00 2.44 -3.339317156e+00 2.46 -3.326332196e+00 2.48 -3.308802267e+00 2.50 -3.287475958e+00 2.52 -3.262679227e+00 2.54 -3.234516122e+00 2.56 -3.203077352e+00 2.58 -3.168550437e+00 2.60 -3.129920953e+00 2.62 -3.088796434e+00 2.64 -3.045646103e+00 2.66 -3.000718586e+00 2.68 -2.954235028e+00 2.70 -2.906400749e+00 2.72 -2.857406191e+00 2.74 -2.807427835e+00 2.76 -2.756629060e+00 2.78 -2.705160941e+00 2.80 -2.653163028e+00 2.82 -2.600764088e+00 2.84 -2.548082752e+00 2.86 -2.495228194e+00 2.88 -2.442300732e+00 2.90 -2.389392405e+00 2.92 -2.336587515e+00 2.94 -2.283971769e+00 2.96 -2.232074344e+00 2.98 -2.180460261e+00 3.00 -2.129195918e+00 3.02 -2.078336795e+00 3.04 -2.028589815e+00 3.06 -1.980142607e+00 3.08 -1.932178032e+00 3.10 -1.884756679e+00 3.12 -1.837819480e+00 3.14 -1.791318778e+00 3.16 -1.745095347e+00 3.18 -1.699225847e+00 3.20 -1.654037051e+00 3.22 -1.609610304e+00 3.24 -1.565906571e+00 3.26 -1.522930491e+00 3.28 -1.480693325e+00 3.30 -1.439233849e+00 3.32 -1.398547238e+00 3.34 -1.358518781e+00 3.36 -1.319104556e+00 3.38 -1.280402989e+00 3.40 -1.242494106e+00 3.42 -1.205368427e+00 3.44 -1.169004445e+00 3.46 -1.133402858e+00 3.48 -1.098567533e+00 3.50 -1.064490666e+00 3.52 -1.031149033e+00 3.54 -9.985451104e-01 3.56 -9.666849481e-01 3.58 -9.355702546e-01 3.60 -9.051352360e-01 3.62 -8.753212115e-01 3.64 -8.461949751e-01 3.66 -8.177990052e-01 3.68 -7.901664784e-01 3.70 -7.633233382e-01 3.72 -7.372900428e-01 3.74 -7.121707694e-01 3.76 -6.878404803e-01 3.78 -6.641274702e-01 3.80 -6.409096959e-01 3.82 -6.181034654e-01 3.84 -5.956550028e-01 3.86 -5.734654285e-01 3.88 -5.514836975e-01 3.90 -5.297571829e-01 3.92 -5.083322792e-01 3.94 -4.872358269e-01 3.96 -4.664553556e-01 3.98 -4.461079795e-01 4.00 -4.263023911e-01 4.02 -4.072032680e-01 4.04 -3.887864992e-01 4.06 -3.709631888e-01 4.08 -3.536627978e-01 4.10 -3.368300936e-01 4.12 -3.204225144e-01 4.14 -3.044078991e-01 4.16 -2.887625423e-01 4.18 -2.734695346e-01 4.20 -2.585173540e-01 4.22 -2.438986751e-01 4.24 -2.296093706e-01 4.26 -2.156152212e-01 4.28 -2.018869907e-01 4.30 -1.898001021e-01 4.32 -1.786331258e-01 4.34 -1.677855618e-01 4.36 -1.572873929e-01 4.38 -1.471597978e-01 4.40 -1.374166567e-01 4.42 -1.280658351e-01 4.44 -1.191102752e-01 4.46 -1.105489219e-01 4.48 -1.023775069e-01 4.50 -9.458921067e-02 4.52 -8.717521958e-02 4.54 -8.012519293e-02 4.56 -7.342765330e-02 4.58 -6.707031143e-02 4.60 -6.104033510e-02 4.62 -5.532457037e-02 4.64 -4.990972254e-02 4.66 -4.478250282e-02 4.68 -3.992974610e-02 4.70 -3.533850444e-02 4.72 -3.099612002e-02 4.74 -2.689028100e-02 4.76 -2.300906317e-02 4.78 -1.934095963e-02 4.80 -1.587490078e-02 4.82 -1.335026559e-02 4.84 -1.096381856e-02 4.86 -8.708307765e-03 4.88 -6.576792101e-03 4.90 -4.562641676e-03 4.92 -2.659535152e-03 4.94 -8.614546998e-04 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00