# 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 = AgAu2 # 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 9.949161946e+02 0.90 9.053380768e+02 0.92 8.245103918e+02 0.94 7.515003326e+02 0.96 6.854888384e+02 0.98 6.257549654e+02 1.00 5.716613487e+02 1.02 5.226414886e+02 1.04 4.781907919e+02 1.06 4.378583465e+02 1.08 4.012392449e+02 1.10 3.679722510e+02 1.12 3.377311645e+02 1.14 3.102227759e+02 1.16 2.851835365e+02 1.18 2.623755497e+02 1.20 2.415838006e+02 1.22 2.226150628e+02 1.24 2.052947670e+02 1.26 1.894647541e+02 1.28 1.749828725e+02 1.30 1.617214142e+02 1.32 1.495649285e+02 1.34 1.384093265e+02 1.36 1.281600015e+02 1.38 1.187327726e+02 1.40 1.100516510e+02 1.42 1.020479768e+02 1.44 9.465994184e+01 1.46 8.783187369e+01 1.48 8.151326701e+01 1.50 7.565917875e+01 1.52 7.022908064e+01 1.54 6.518612037e+01 1.56 6.049746199e+01 1.58 5.613334645e+01 1.60 5.206692325e+01 1.62 4.827395448e+01 1.64 4.473188546e+01 1.66 4.142139184e+01 1.68 3.832473930e+01 1.70 3.542567254e+01 1.72 3.270935014e+01 1.74 3.016244823e+01 1.76 2.777690982e+01 1.78 2.554056165e+01 1.80 2.344621675e+01 1.82 2.146292140e+01 1.84 1.962432521e+01 1.86 1.790067659e+01 1.88 1.628508048e+01 1.90 1.477138204e+01 1.92 1.335367897e+01 1.94 1.202650997e+01 1.96 1.078481022e+01 1.98 9.623638507e+00 2.00 8.538754456e+00 2.02 7.526060586e+00 2.04 6.581684643e+00 2.06 5.701975198e+00 2.08 4.883478960e+00 2.10 4.122921278e+00 2.12 3.417189426e+00 2.14 2.763318381e+00 2.16 2.158369102e+00 2.18 1.599609290e+00 2.20 1.084547629e+00 2.22 6.104770931e-01 2.24 1.752084577e-01 2.26 -2.233410899e-01 2.28 -5.871650575e-01 2.30 -9.185186729e-01 2.32 -1.219479648e+00 2.34 -1.491959231e+00 2.36 -1.737783044e+00 2.38 -1.958692897e+00 2.40 -2.156346715e+00 2.42 -2.332455418e+00 2.44 -2.488411893e+00 2.46 -2.625616400e+00 2.48 -2.745416739e+00 2.50 -2.849087793e+00 2.52 -2.937833360e+00 2.54 -3.012555944e+00 2.56 -3.074451056e+00 2.58 -3.124622481e+00 2.60 -3.164031863e+00 2.62 -3.193564342e+00 2.64 -3.214048217e+00 2.66 -3.226257669e+00 2.68 -3.230915425e+00 2.70 -3.228695378e+00 2.72 -3.220225180e+00 2.74 -3.206088778e+00 2.76 -3.186828896e+00 2.78 -3.163014296e+00 2.80 -3.135235567e+00 2.82 -3.103727352e+00 2.84 -3.068890767e+00 2.86 -3.031096977e+00 2.88 -2.990683755e+00 2.90 -2.947954138e+00 2.92 -2.902868297e+00 2.94 -2.856044730e+00 2.96 -2.807744592e+00 2.98 -2.758196759e+00 3.00 -2.707611596e+00 3.02 -2.656181356e+00 3.04 -2.604083982e+00 3.06 -2.551438388e+00 3.08 -2.498365248e+00 3.10 -2.445068089e+00 3.12 -2.391676185e+00 3.14 -2.338298866e+00 3.16 -2.285037543e+00 3.18 -2.231983658e+00 3.20 -2.179219847e+00 3.22 -2.126821276e+00 3.24 -2.074854767e+00 3.26 -2.023380551e+00 3.28 -1.972453082e+00 3.30 -1.922119336e+00 3.32 -1.872423038e+00 3.34 -1.823400277e+00 3.36 -1.775085161e+00 3.38 -1.727505249e+00 3.40 -1.680728472e+00 3.42 -1.635323288e+00 3.44 -1.590680123e+00 3.46 -1.546837814e+00 3.48 -1.503820004e+00 3.50 -1.461594982e+00 3.52 -1.420127679e+00 3.54 -1.379398373e+00 3.56 -1.339418909e+00 3.58 -1.300227997e+00 3.60 -1.261862592e+00 3.62 -1.224335848e+00 3.64 -1.187614550e+00 3.66 -1.151713312e+00 3.68 -1.116647605e+00 3.70 -1.082426597e+00 3.72 -1.049005808e+00 3.74 -1.016216614e+00 3.76 -9.841611036e-01 3.78 -9.529345484e-01 3.80 -9.226108986e-01 3.82 -8.932428013e-01 3.84 -8.648620741e-01 3.86 -8.375319988e-01 3.88 -8.113512870e-01 3.90 -7.860307463e-01 3.92 -7.613309186e-01 3.94 -7.370834911e-01 3.96 -7.131094693e-01 3.98 -6.892496093e-01 4.00 -6.655458834e-01 4.02 -6.420518881e-01 4.04 -6.188237311e-01 4.06 -5.959173193e-01 4.08 -5.733857593e-01 4.10 -5.512051957e-01 4.12 -5.295633488e-01 4.14 -5.085411233e-01 4.16 -4.880629644e-01 4.18 -4.680721042e-01 4.20 -4.485272099e-01 4.22 -4.293994763e-01 4.24 -4.106701225e-01 4.26 -3.923282505e-01 4.28 -3.743690276e-01 4.30 -3.567921541e-01 4.32 -3.396005815e-01 4.34 -3.227994525e-01 4.36 -3.063884263e-01 4.38 -2.903339605e-01 4.40 -2.746954830e-01 4.42 -2.595354682e-01 4.44 -2.448991868e-01 4.46 -2.308177345e-01 4.48 -2.173105933e-01 4.50 -2.043877925e-01 4.52 -1.920517276e-01 4.54 -1.802986891e-01 4.56 -1.691201424e-01 4.58 -1.585037962e-01 4.60 -1.484344903e-01 4.62 -1.388949315e-01 4.64 -1.298663011e-01 4.66 -1.213287538e-01 4.68 -1.132618230e-01 4.70 -1.056447499e-01 4.72 -9.845674751e-02 4.74 -9.167721068e-02 4.76 -8.528588123e-02 4.78 -7.926297425e-02 4.80 -7.357651508e-02 4.82 -6.859863652e-02 4.84 -6.405815200e-02 4.86 -5.977972696e-02 4.88 -5.574929367e-02 4.90 -5.195336526e-02 4.92 -4.837904383e-02 4.94 -4.501402138e-02 4.96 -4.184657423e-02 4.98 -3.886555297e-02 5.00 -3.606036912e-02 5.02 -3.342097907e-02 5.04 -3.093786622e-02 5.06 -2.860202119e-02 5.08 -2.640492155e-02 5.10 -2.433851109e-02 5.12 -2.239517902e-02 5.14 -2.056773900e-02 5.16 -1.884940842e-02 5.18 -1.723378820e-02 5.20 -1.571484324e-02 5.22 -1.428688351e-02 5.24 -1.294454554e-02 5.26 -1.168277475e-02 5.28 -1.049680862e-02 5.30 -9.382160637e-03 5.32 -8.334604953e-03 5.34 -7.350161624e-03 5.36 -6.425082740e-03 5.38 -5.555839264e-03 5.40 -4.739108647e-03 5.42 -3.971762932e-03 5.44 -3.250857531e-03 5.46 -2.573620673e-03 5.48 -1.937443468e-03 5.50 -1.339870533e-03 5.52 -7.785910150e-04 5.54 -2.480450510e-04 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