# 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 = 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 1.005143594e+03 0.90 9.148171545e+02 0.92 8.332950785e+02 0.94 7.596391886e+02 0.96 6.930259879e+02 0.98 6.327306778e+02 1.00 5.781126116e+02 1.02 5.286024907e+02 1.04 4.836933564e+02 1.06 4.429322468e+02 1.08 4.059124466e+02 1.10 3.722710567e+02 1.12 3.416804409e+02 1.14 3.138460521e+02 1.16 2.885031076e+02 1.18 2.654125796e+02 1.20 2.443583453e+02 1.22 2.251461231e+02 1.24 2.076003441e+02 1.26 1.915619054e+02 1.28 1.768877297e+02 1.30 1.634492311e+02 1.32 1.511300546e+02 1.34 1.398252593e+02 1.36 1.294394387e+02 1.38 1.198875872e+02 1.40 1.110929453e+02 1.42 1.029861097e+02 1.44 9.550455654e+01 1.46 8.859194386e+01 1.48 8.219711806e+01 1.50 7.627449760e+01 1.52 7.078296015e+01 1.54 6.568511653e+01 1.56 6.094757806e+01 1.58 5.654008704e+01 1.60 5.243532431e+01 1.62 4.860863868e+01 1.64 4.503705540e+01 1.66 4.170085446e+01 1.68 3.858194151e+01 1.70 3.566373191e+01 1.72 3.293108891e+01 1.74 3.037039674e+01 1.76 2.797345161e+01 1.78 2.572536213e+01 1.80 2.362021596e+01 1.82 2.162751975e+01 1.84 1.977955921e+01 1.86 1.804682825e+01 1.88 1.642245420e+01 1.90 1.490029312e+01 1.92 1.347445495e+01 1.94 1.213948610e+01 1.96 1.089032507e+01 1.98 9.722055141e+00 2.00 8.630411275e+00 2.02 7.611287870e+00 2.04 6.660805297e+00 2.06 5.775303397e+00 2.08 4.951319216e+00 2.10 4.185567869e+00 2.12 3.474926119e+00 2.14 2.816418384e+00 2.16 2.207109949e+00 2.18 1.644256036e+00 2.20 1.125341802e+00 2.22 6.476591860e-01 2.24 2.090034216e-01 2.26 -1.926984926e-01 2.28 -5.595474994e-01 2.30 -8.937071407e-01 2.32 -1.197283093e+00 2.34 -1.472194555e+00 2.36 -1.720274958e+00 2.38 -1.943273809e+00 2.40 -2.142856733e+00 2.42 -2.320735800e+00 2.44 -2.478317063e+00 2.46 -2.617009298e+00 2.48 -2.738167628e+00 2.50 -2.843074176e+00 2.52 -2.932940119e+00 2.54 -3.008713027e+00 2.56 -3.071520841e+00 2.58 -3.122519912e+00 2.60 -3.162667758e+00 2.62 -3.192855861e+00 2.64 -3.213918715e+00 2.66 -3.226636451e+00 2.68 -3.231737479e+00 2.70 -3.229901103e+00 2.72 -3.221760105e+00 2.74 -3.207903279e+00 2.76 -3.188877910e+00 2.78 -3.165255136e+00 2.80 -3.137626066e+00 2.82 -3.106234957e+00 2.84 -3.071486369e+00 2.86 -3.033754594e+00 2.88 -2.993391535e+00 2.90 -2.950664686e+00 2.92 -2.905681960e+00 2.94 -2.858847371e+00 2.96 -2.810525216e+00 2.98 -2.760943974e+00 3.00 -2.710315227e+00 3.02 -2.658831820e+00 3.04 -2.606683403e+00 3.06 -2.553949118e+00 3.08 -2.500801518e+00 3.10 -2.447433825e+00 3.12 -2.393966848e+00 3.14 -2.340512420e+00 3.16 -2.287172343e+00 3.18 -2.234038691e+00 3.20 -2.181194998e+00 3.22 -2.128716509e+00 3.24 -2.076670376e+00 3.26 -2.025117976e+00 3.28 -1.974112828e+00 3.30 -1.923703498e+00 3.32 -1.873932567e+00 3.34 -1.824837795e+00 3.36 -1.776451549e+00 3.38 -1.728803895e+00 3.40 -1.681959994e+00 3.42 -1.636485529e+00 3.44 -1.591771501e+00 3.46 -1.547853886e+00 3.48 -1.504766655e+00 3.50 -1.462494607e+00 3.52 -1.420992167e+00 3.54 -1.380229902e+00 3.56 -1.340203615e+00 3.58 -1.300953830e+00 3.60 -1.262523383e+00 3.62 -1.224944611e+00 3.64 -1.188186275e+00 3.66 -1.152246784e+00 3.68 -1.117140661e+00 3.70 -1.082874998e+00 3.72 -1.049449992e+00 3.74 -1.016680882e+00 3.76 -9.846052360e-01 3.78 -9.533267390e-01 3.80 -9.229256024e-01 3.82 -8.934600246e-01 3.84 -8.649691608e-01 3.86 -8.374736396e-01 3.88 -8.111448126e-01 3.90 -7.857700152e-01 3.92 -7.610844919e-01 3.94 -7.368997936e-01 3.96 -7.130579847e-01 3.98 -6.893501772e-01 4.00 -6.657885426e-01 4.02 -6.424229400e-01 4.04 -6.193071084e-01 4.06 -5.964956499e-01 4.08 -5.740417934e-01 4.10 -5.519538901e-01 4.12 -5.303132357e-01 4.14 -5.092941459e-01 4.16 -4.888271392e-01 4.18 -4.688534172e-01 4.20 -4.493299117e-01 4.22 -4.302263531e-01 4.24 -4.115227414e-01 4.26 -3.932071797e-01 4.28 -3.752740303e-01 4.30 -3.577223594e-01 4.32 -3.405546318e-01 4.34 -3.237756309e-01 4.36 -3.073906343e-01 4.38 -2.913642172e-01 4.40 -2.757349610e-01 4.42 -2.605693397e-01 4.44 -2.459159353e-01 4.46 -2.318085749e-01 4.48 -2.182689839e-01 4.50 -2.053090255e-01 4.52 -1.929325862e-01 4.54 -1.811371609e-01 4.56 -1.699151800e-01 4.58 -1.592551189e-01 4.60 -1.491424189e-01 4.62 -1.395602529e-01 4.64 -1.304901557e-01 4.66 -1.219125441e-01 4.68 -1.138071387e-01 4.70 -1.061533072e-01 4.72 -9.893034026e-02 4.74 -9.211767141e-02 4.76 -8.569505023e-02 4.78 -7.964267546e-02 4.80 -7.392852393e-02 4.82 -6.892506825e-02 4.84 -6.436068029e-02 4.86 -6.005979184e-02 4.88 -5.600828008e-02 4.90 -5.219259913e-02 4.92 -4.859978975e-02 4.94 -4.521748147e-02 4.96 -4.203388802e-02 4.98 -3.903779804e-02 5.00 -3.621856227e-02 5.02 -3.356607808e-02 5.04 -3.107077176e-02 5.06 -2.872357907e-02 5.08 -2.651592512e-02 5.10 -2.443970365e-02 5.12 -2.248725634e-02 5.14 -2.065135186e-02 5.16 -1.892516502e-02 5.18 -1.730225661e-02 5.20 -1.577655373e-02 5.22 -1.434233082e-02 5.24 -1.299419105e-02 5.26 -1.172704855e-02 5.28 -1.053611150e-02 5.30 -9.416865922e-03 5.32 -8.365060307e-03 5.34 -7.376690708e-03 5.36 -6.447986784e-03 5.38 -5.575398551e-03 5.40 -4.755583902e-03 5.42 -3.985396627e-03 5.44 -3.261875105e-03 5.46 -2.582231676e-03 5.48 -1.943842633e-03 5.50 -1.344238771e-03 5.52 -7.810963563e-04 5.54 -2.488328798e-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