# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Ag2Cu # 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 3.120731935e+02 0.90 2.865193260e+02 0.92 2.638708118e+02 0.94 2.437049170e+02 0.96 2.256518082e+02 0.98 2.094141830e+02 1.00 1.947353191e+02 1.02 1.813978855e+02 1.04 1.692231713e+02 1.06 1.580581118e+02 1.08 1.477749121e+02 1.10 1.382677033e+02 1.12 1.294443822e+02 1.14 1.212252376e+02 1.16 1.135500761e+02 1.18 1.063672634e+02 1.20 9.963303328e+01 1.22 9.330457058e+01 1.24 8.735374770e+01 1.26 8.175134271e+01 1.28 7.647345399e+01 1.30 7.149823567e+01 1.32 6.680619680e+01 1.34 6.238139635e+01 1.36 5.820870949e+01 1.38 5.427407812e+01 1.40 5.056664145e+01 1.42 4.707476431e+01 1.44 4.378761134e+01 1.46 4.069257676e+01 1.48 3.778073415e+01 1.50 3.504513841e+01 1.52 3.247681508e+01 1.54 3.006644287e+01 1.56 2.780722153e+01 1.58 2.569135270e+01 1.60 2.371135981e+01 1.62 2.185957691e+01 1.64 2.012934562e+01 1.66 1.847048249e+01 1.68 1.695939053e+01 1.70 1.554717130e+01 1.72 1.422799432e+01 1.74 1.299672248e+01 1.76 1.184749024e+01 1.78 1.077561348e+01 1.80 9.757827098e+00 1.82 8.819824084e+00 1.84 7.936753363e+00 1.86 7.105967627e+00 1.88 6.325113430e+00 1.90 5.592036668e+00 1.92 4.904571036e+00 1.94 4.260638198e+00 1.96 3.658237892e+00 1.98 3.094267892e+00 2.00 2.567698336e+00 2.02 2.077207493e+00 2.04 1.621002759e+00 2.06 1.197347615e+00 2.08 8.045610715e-01 2.10 4.410178583e-01 2.12 1.051487452e-01 2.14 -2.045396555e-01 2.16 -4.896262717e-01 2.18 -7.515620121e-01 2.20 -9.915038909e-01 2.22 -1.210486983e+00 2.24 -1.409406217e+00 2.26 -1.590129631e+00 2.28 -1.753766326e+00 2.30 -1.901373991e+00 2.32 -2.033959919e+00 2.34 -2.152482203e+00 2.36 -2.257851065e+00 2.38 -2.350930294e+00 2.40 -2.432537923e+00 2.42 -2.503509368e+00 2.44 -2.564410320e+00 2.46 -2.615651619e+00 2.48 -2.658239179e+00 2.50 -2.692870902e+00 2.52 -2.720125828e+00 2.54 -2.740549952e+00 2.56 -2.754657717e+00 2.58 -2.762910197e+00 2.60 -2.766676182e+00 2.62 -2.765696652e+00 2.64 -2.760108852e+00 2.66 -2.750296189e+00 2.68 -2.736618284e+00 2.70 -2.719412257e+00 2.72 -2.698993937e+00 2.74 -2.675659011e+00 2.76 -2.649684082e+00 2.78 -2.621352484e+00 2.80 -2.590262076e+00 2.82 -2.556889858e+00 2.84 -2.521872568e+00 2.86 -2.485289120e+00 2.88 -2.447256827e+00 2.90 -2.408141707e+00 2.92 -2.368193960e+00 2.94 -2.327433701e+00 2.96 -2.285994278e+00 2.98 -2.243999123e+00 3.00 -2.201562519e+00 3.02 -2.158791775e+00 3.04 -2.116036278e+00 3.06 -2.073462881e+00 3.08 -2.030795331e+00 3.10 -1.988116278e+00 3.12 -1.945497406e+00 3.14 -1.903003936e+00 3.16 -1.860695504e+00 3.18 -1.818627414e+00 3.20 -1.776848448e+00 3.22 -1.735405141e+00 3.24 -1.694336918e+00 3.26 -1.653682648e+00 3.28 -1.613473361e+00 3.30 -1.573738602e+00 3.32 -1.534516174e+00 3.34 -1.495815597e+00 3.36 -1.457617789e+00 3.38 -1.419886685e+00 3.40 -1.382580454e+00 3.42 -1.345989864e+00 3.44 -1.310018620e+00 3.46 -1.274684668e+00 3.48 -1.239985763e+00 3.50 -1.205917716e+00 3.52 -1.172475245e+00 3.54 -1.139662863e+00 3.56 -1.107486645e+00 3.58 -1.075931374e+00 3.60 -1.044978363e+00 3.62 -1.014645119e+00 3.64 -9.849515833e-01 3.66 -9.559160078e-01 3.68 -9.274932324e-01 3.70 -8.994205686e-01 3.72 -8.718333009e-01 3.74 -8.448929157e-01 3.76 -8.187101122e-01 3.78 -7.933726684e-01 3.80 -7.689448780e-01 3.82 -7.454693662e-01 3.84 -7.231663064e-01 3.86 -7.018911844e-01 3.88 -6.812521388e-01 3.90 -6.609845223e-01 3.92 -6.408986899e-01 3.94 -6.208648807e-01 3.96 -6.008006789e-01 3.98 -5.806606545e-01 4.00 -5.604632318e-01 4.02 -5.401999486e-01 4.04 -5.198189919e-01 4.06 -4.993008468e-01 4.08 -4.786056121e-01 4.10 -4.577227405e-01 4.12 -4.368277730e-01 4.14 -4.160727541e-01 4.16 -3.955815755e-01 4.18 -3.754541371e-01 4.20 -3.557699373e-01 4.22 -3.365911516e-01 4.24 -3.179444077e-01 4.26 -2.998663754e-01 4.28 -2.824099759e-01 4.30 -2.656111145e-01 4.32 -2.494918439e-01 4.34 -2.340630228e-01 4.36 -2.193265367e-01 4.38 -2.052771530e-01 4.40 -1.919040592e-01 4.42 -1.791921365e-01 4.44 -1.671230148e-01 4.46 -1.556759376e-01 4.48 -1.448284774e-01 4.50 -1.345571075e-01 4.52 -1.248376706e-01 4.54 -1.156457543e-01 4.56 -1.069569909e-01 4.58 -9.874729312e-02 4.60 -9.099303404e-02 4.62 -8.367118663e-02 4.64 -7.675942611e-02 4.66 -7.023620631e-02 4.68 -6.408080764e-02 4.70 -5.827336728e-02 4.72 -5.279489465e-02 4.74 -4.762727407e-02 4.76 -4.275326005e-02 4.78 -3.815646017e-02 4.80 -3.381350457e-02 4.82 -2.994824635e-02 4.84 -2.638935169e-02 4.86 -2.302689665e-02 4.88 -1.985018281e-02 4.90 -1.684906817e-02 4.92 -1.401339494e-02 4.94 -1.126883908e-02 4.96 -9.616475991e-03 4.98 -8.975011412e-03 5.00 -8.312128797e-03 5.02 -7.689496662e-03 5.04 -7.105156013e-03 5.06 -6.556796437e-03 5.08 -6.042243483e-03 5.10 -5.559451116e-03 5.12 -5.106494565e-03 5.14 -4.681563407e-03 5.16 -4.282954988e-03 5.18 -3.909068210e-03 5.20 -3.558397659e-03 5.22 -3.229528057e-03 5.24 -2.921128938e-03 5.26 -2.631949657e-03 5.28 -2.360814690e-03 5.30 -2.106619218e-03 5.32 -1.868324944e-03 5.34 -1.644956118e-03 5.36 -1.435595822e-03 5.38 -1.239382479e-03 5.40 -1.055506582e-03 5.42 -8.832075757e-04 5.44 -7.217709234e-04 5.46 -5.705253664e-04 5.48 -4.288403504e-04 5.50 -2.961236058e-04 5.52 -1.718188399e-04 5.54 -5.465889540e-05 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