# 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 = AgCu2 # 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 2.069699450e+02 0.90 1.927404833e+02 0.92 1.797840340e+02 0.94 1.679219933e+02 0.96 1.569964765e+02 0.98 1.469019966e+02 1.00 1.375369465e+02 1.02 1.288198294e+02 1.04 1.206865865e+02 1.06 1.130725308e+02 1.08 1.059408199e+02 1.10 9.925127763e+01 1.12 9.296734671e+01 1.14 8.705416716e+01 1.16 8.148524651e+01 1.18 7.624291921e+01 1.20 7.130624221e+01 1.22 6.665315307e+01 1.24 6.227367363e+01 1.26 5.815071240e+01 1.28 5.427131753e+01 1.30 5.062042572e+01 1.32 4.718393054e+01 1.34 4.395402596e+01 1.36 4.091916248e+01 1.38 3.806708883e+01 1.40 3.539154784e+01 1.42 3.288302741e+01 1.44 3.052973836e+01 1.46 2.832206954e+01 1.48 2.625477604e+01 1.50 2.432200264e+01 1.52 2.251580716e+01 1.54 2.082781657e+01 1.56 1.925305149e+01 1.58 1.778492992e+01 1.60 1.639503266e+01 1.62 1.511973657e+01 1.64 1.393133915e+01 1.66 1.282368598e+01 1.68 1.179214886e+01 1.70 1.078527856e+01 1.72 9.864676380e+00 1.74 8.988384359e+00 1.76 8.153620481e+00 1.78 7.359593949e+00 1.80 6.606814623e+00 1.82 5.894150603e+00 1.84 5.220480620e+00 1.86 4.584579196e+00 1.88 3.985326957e+00 1.90 3.421645954e+00 1.92 2.892015628e+00 1.94 2.393582590e+00 1.96 1.927375553e+00 1.98 1.491010931e+00 2.00 1.083869787e+00 2.02 7.051389778e-01 2.04 3.535011802e-01 2.06 2.765885533e-02 2.08 -2.736613286e-01 2.10 -5.509803366e-01 2.12 -8.048963353e-01 2.14 -1.038067924e+00 2.16 -1.252132257e+00 2.18 -1.447773028e+00 2.20 -1.625954117e+00 2.22 -1.787754261e+00 2.24 -1.934077586e+00 2.26 -2.065821961e+00 2.28 -2.183876006e+00 2.30 -2.289088957e+00 2.32 -2.382142300e+00 2.34 -2.463062290e+00 2.36 -2.533550288e+00 2.38 -2.594285513e+00 2.40 -2.645921479e+00 2.42 -2.689108414e+00 2.44 -2.724407123e+00 2.46 -2.752325291e+00 2.48 -2.773585655e+00 2.50 -2.789041520e+00 2.52 -2.798610337e+00 2.54 -2.802751863e+00 2.56 -2.801887553e+00 2.58 -2.796390879e+00 2.60 -2.787551604e+00 2.62 -2.775025760e+00 2.64 -2.758882986e+00 2.66 -2.738727820e+00 2.68 -2.713954919e+00 2.70 -2.686643873e+00 2.72 -2.656978543e+00 2.74 -2.625192351e+00 2.76 -2.591503806e+00 2.78 -2.556117241e+00 2.80 -2.519223600e+00 2.82 -2.481001164e+00 2.84 -2.441616205e+00 2.86 -2.401223686e+00 2.88 -2.359967908e+00 2.90 -2.317994730e+00 2.92 -2.275545543e+00 2.94 -2.232590594e+00 2.96 -2.189189844e+00 2.98 -2.145439801e+00 3.00 -2.101503316e+00 3.02 -2.057463255e+00 3.04 -2.013984945e+00 3.06 -1.971319075e+00 3.08 -1.928696206e+00 3.10 -1.886192766e+00 3.12 -1.843867976e+00 3.14 -1.801775102e+00 3.16 -1.759961113e+00 3.18 -1.718502306e+00 3.20 -1.677371177e+00 3.22 -1.636529755e+00 3.24 -1.595862174e+00 3.26 -1.555321890e+00 3.28 -1.515205418e+00 3.30 -1.475699727e+00 3.32 -1.436778856e+00 3.34 -1.398433755e+00 3.36 -1.360687395e+00 3.38 -1.323554890e+00 3.40 -1.287052120e+00 3.42 -1.251269219e+00 3.44 -1.216123126e+00 3.46 -1.181614548e+00 3.48 -1.147748469e+00 3.50 -1.114534926e+00 3.52 -1.081968722e+00 3.54 -1.050047398e+00 3.56 -1.018778331e+00 3.58 -9.881649203e-01 3.60 -9.581898567e-01 3.62 -9.288488924e-01 3.64 -9.001519539e-01 3.66 -8.720986673e-01 3.68 -8.446899343e-01 3.70 -8.178373621e-01 3.72 -7.915296752e-01 3.74 -7.658233178e-01 3.76 -7.407493021e-01 3.78 -7.163461075e-01 3.80 -6.926429244e-01 3.82 -6.696649940e-01 3.84 -6.475233659e-01 3.86 -6.260156266e-01 3.88 -6.049406906e-01 3.90 -5.842649899e-01 3.92 -5.639721400e-01 3.94 -5.440582425e-01 3.96 -5.245281851e-01 3.98 -5.053927087e-01 4.00 -4.866711013e-01 4.02 -4.684937650e-01 4.04 -4.507587879e-01 4.06 -4.332435092e-01 4.08 -4.158764690e-01 4.10 -3.986506064e-01 4.12 -3.815662792e-01 4.14 -3.646296328e-01 4.16 -3.478512014e-01 4.18 -3.312447144e-01 4.20 -3.148260934e-01 4.22 -2.986126030e-01 4.24 -2.826221511e-01 4.26 -2.668385555e-01 4.28 -2.512166918e-01 4.30 -2.372913783e-01 4.32 -2.242795600e-01 4.34 -2.115988338e-01 4.36 -1.993057907e-01 4.38 -1.874314675e-01 4.40 -1.759971057e-01 4.42 -1.650158899e-01 4.44 -1.544943982e-01 4.46 -1.444338307e-01 4.48 -1.348310554e-01 4.50 -1.256794803e-01 4.52 -1.169697941e-01 4.54 -1.086905849e-01 4.56 -1.008288602e-01 4.58 -9.337047779e-02 4.60 -8.630050079e-02 4.62 -7.960349223e-02 4.64 -7.326375498e-02 4.66 -6.726553003e-02 4.68 -6.159315160e-02 4.70 -5.623117197e-02 4.72 -5.116445987e-02 4.74 -4.637827592e-02 4.76 -4.185833164e-02 4.78 -3.759082783e-02 4.80 -3.356248359e-02 4.82 -2.976055363e-02 4.84 -2.617283842e-02 4.86 -2.278768609e-02 4.88 -1.959398776e-02 4.90 -1.658116995e-02 4.92 -1.373862508e-02 4.94 -1.099065306e-02 4.96 -9.350886557e-03 4.98 -8.733231274e-03 5.00 -8.091471293e-03 5.02 -7.488262424e-03 5.04 -6.921786236e-03 5.06 -6.389857237e-03 5.08 -5.890417011e-03 5.10 -5.421527007e-03 5.12 -4.981361766e-03 5.14 -4.568202443e-03 5.16 -4.180430679e-03 5.18 -3.816522852e-03 5.20 -3.475044667e-03 5.22 -3.154646057e-03 5.24 -2.854056306e-03 5.26 -2.572079470e-03 5.28 -2.307590079e-03 5.30 -2.059529100e-03 5.32 -1.826900099e-03 5.34 -1.608765601e-03 5.36 -1.404243679e-03 5.38 -1.212504746e-03 5.40 -1.032768540e-03 5.42 -8.643012519e-04 5.44 -7.064128086e-04 5.46 -5.584543354e-04 5.48 -4.198157664e-04 5.50 -2.899235927e-04 5.52 -1.682387087e-04 5.54 -5.352519014e-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