# 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 = AuPt2 # 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 1.345587474e+03 0.90 1.230163998e+03 0.92 1.125930376e+03 0.94 1.031636538e+03 0.96 9.461904287e+02 0.98 8.686384068e+02 1.00 7.981430258e+02 1.02 7.339693561e+02 1.04 6.754678808e+02 1.06 6.220659430e+02 1.08 5.732579451e+02 1.10 5.285937572e+02 1.12 4.876744619e+02 1.14 4.501452423e+02 1.16 4.156886768e+02 1.18 3.840219215e+02 1.20 3.548920584e+02 1.22 3.280719966e+02 1.24 3.033569780e+02 1.26 2.805631439e+02 1.28 2.595250399e+02 1.30 2.400935688e+02 1.32 2.221328504e+02 1.34 2.055205398e+02 1.36 1.901457991e+02 1.38 1.759078748e+02 1.40 1.627152620e+02 1.42 1.504845102e+02 1.44 1.391391762e+02 1.46 1.286099452e+02 1.48 1.188333425e+02 1.50 1.097512126e+02 1.52 1.013104243e+02 1.54 9.346237676e+01 1.56 8.616240836e+01 1.58 7.936926633e+01 1.60 7.304494901e+01 1.62 6.715485041e+01 1.64 6.166721611e+01 1.66 5.655254104e+01 1.68 5.178374561e+01 1.70 4.733588035e+01 1.72 4.318592088e+01 1.74 3.931258030e+01 1.76 3.569621490e+01 1.78 3.232858273e+01 1.80 2.919688082e+01 1.82 2.628999383e+01 1.84 2.359474765e+01 1.86 2.109542893e+01 1.88 1.878169357e+01 1.90 1.664163367e+01 1.92 1.466413934e+01 1.94 1.283879787e+01 1.96 1.115580848e+01 1.98 9.605937100e+00 2.00 8.180463576e+00 2.02 6.871198576e+00 2.04 5.670422404e+00 2.06 4.570701293e+00 2.08 3.564986450e+00 2.10 2.647043965e+00 2.12 1.810818406e+00 2.14 1.050777336e+00 2.16 3.615852056e-01 2.18 -2.621676834e-01 2.20 -8.252846926e-01 2.22 -1.332430284e+00 2.24 -1.787749990e+00 2.26 -2.195163495e+00 2.28 -2.558393802e+00 2.30 -2.880990791e+00 2.32 -3.166253052e+00 2.34 -3.417028744e+00 2.36 -3.636195161e+00 2.38 -3.826389130e+00 2.40 -3.989426108e+00 2.42 -4.128143288e+00 2.44 -4.244680115e+00 2.46 -4.340963844e+00 2.48 -4.418780143e+00 2.50 -4.479775797e+00 2.52 -4.525468261e+00 2.54 -4.557254821e+00 2.56 -4.576421383e+00 2.58 -4.584072961e+00 2.60 -4.581318062e+00 2.62 -4.569214766e+00 2.64 -4.548683392e+00 2.66 -4.520892554e+00 2.68 -4.486588246e+00 2.70 -4.446158635e+00 2.72 -4.400256745e+00 2.74 -4.349483965e+00 2.76 -4.294472285e+00 2.78 -4.234422472e+00 2.80 -4.170868180e+00 2.82 -4.104511312e+00 2.84 -4.035730948e+00 2.86 -3.964882134e+00 2.88 -3.892289949e+00 2.90 -3.818297629e+00 2.92 -3.743623535e+00 2.94 -3.667982351e+00 2.96 -3.591606229e+00 2.98 -3.514713820e+00 3.00 -3.437401087e+00 3.02 -3.359674629e+00 3.04 -3.281983116e+00 3.06 -3.204468504e+00 3.08 -3.127265913e+00 3.10 -3.050496644e+00 3.12 -2.974270412e+00 3.14 -2.898686159e+00 3.16 -2.823832966e+00 3.18 -2.749790927e+00 3.20 -2.676631227e+00 3.22 -2.604417422e+00 3.24 -2.533187221e+00 3.26 -2.463966178e+00 3.28 -2.396106121e+00 3.30 -2.329306392e+00 3.32 -2.263600520e+00 3.34 -2.199024675e+00 3.36 -2.135619910e+00 3.38 -2.073385585e+00 3.40 -2.012335091e+00 3.42 -1.952683512e+00 3.44 -1.894120726e+00 3.46 -1.836571548e+00 3.48 -1.780064436e+00 3.50 -1.724731835e+00 3.52 -1.670678319e+00 3.54 -1.617911922e+00 3.56 -1.566403421e+00 3.58 -1.516133697e+00 3.60 -1.467088204e+00 3.62 -1.419249910e+00 3.64 -1.372616098e+00 3.66 -1.327187781e+00 3.68 -1.282956198e+00 3.70 -1.239864937e+00 3.72 -1.197885474e+00 3.74 -1.157000755e+00 3.76 -1.117201096e+00 3.78 -1.078493177e+00 3.80 -1.040779011e+00 3.82 -1.004025484e+00 3.84 -9.682891915e-01 3.86 -9.335986242e-01 3.88 -8.999857065e-01 3.90 -8.674714292e-01 3.92 -8.360672252e-01 3.94 -8.058162987e-01 3.96 -7.767103400e-01 3.98 -7.485568080e-01 4.00 -7.212319000e-01 4.02 -6.946442570e-01 4.04 -6.687282735e-01 4.06 -6.434385454e-01 4.08 -6.187452887e-01 4.10 -5.946472524e-01 4.12 -5.711968484e-01 4.14 -5.482872549e-01 4.16 -5.258197393e-01 4.18 -5.037093776e-01 4.20 -4.818572797e-01 4.22 -4.603087963e-01 4.24 -4.391189334e-01 4.26 -4.183342865e-01 4.28 -3.979939455e-01 4.30 -3.781302977e-01 4.32 -3.587697448e-01 4.34 -3.399333061e-01 4.36 -3.216058644e-01 4.38 -3.038099176e-01 4.40 -2.865986012e-01 4.42 -2.700091762e-01 4.44 -2.540658258e-01 4.46 -2.387820271e-01 4.48 -2.241625559e-01 4.50 -2.102051756e-01 4.52 -1.969020590e-01 4.54 -1.842409798e-01 4.56 -1.722060490e-01 4.58 -1.607574076e-01 4.60 -1.504906682e-01 4.62 -1.413172568e-01 4.64 -1.325942620e-01 4.66 -1.243247396e-01 4.68 -1.164901634e-01 4.70 -1.090718276e-01 4.72 -1.020511184e-01 4.74 -9.540966083e-02 4.76 -8.912943437e-02 4.78 -8.319286130e-02 4.80 -7.758287476e-02 4.82 -7.228296678e-02 4.84 -6.727722329e-02 4.86 -6.255034591e-02 4.88 -5.808766355e-02 4.90 -5.387513622e-02 4.92 -4.989935237e-02 4.94 -4.614752134e-02 4.96 -4.260746110e-02 4.98 -3.926758313e-02 5.00 -3.611687490e-02 5.02 -3.314488125e-02 5.04 -3.034168435e-02 5.06 -2.769788201e-02 5.08 -2.520456658e-02 5.10 -2.285330345e-02 5.12 -2.063610991e-02 5.14 -1.854543405e-02 5.16 -1.657413389e-02 5.18 -1.471545740e-02 5.20 -1.296302305e-02 5.22 -1.131080112e-02 5.24 -9.753095332e-03 5.26 -8.284507900e-03 5.28 -6.901108760e-03 5.30 -5.623085637e-03 5.32 -4.976266203e-03 5.34 -4.385884182e-03 5.36 -3.834920661e-03 5.38 -3.316878790e-03 5.40 -2.829855172e-03 5.42 -2.372052499e-03 5.44 -1.941773844e-03 5.46 -1.537417277e-03 5.48 -1.157470779e-03 5.50 -8.005074113e-04 5.52 -4.651806779e-04 5.54 -1.481983017e-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