# 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 = Ag2Pd # 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 6.884647219e+02 0.90 6.270526097e+02 0.92 5.720699088e+02 0.94 5.227525094e+02 0.96 4.784386631e+02 0.98 4.385479357e+02 1.00 4.025762464e+02 1.02 3.700779743e+02 1.04 3.406646173e+02 1.06 3.139954160e+02 1.08 2.897672175e+02 1.10 2.677190038e+02 1.12 2.476176702e+02 1.14 2.292568376e+02 1.16 2.124564189e+02 1.18 1.970562240e+02 1.20 1.829146480e+02 1.22 1.699054086e+02 1.24 1.579206183e+02 1.26 1.468620720e+02 1.28 1.366427299e+02 1.30 1.271829603e+02 1.32 1.184160383e+02 1.34 1.102812976e+02 1.36 1.027239141e+02 1.38 9.569537905e+01 1.40 8.915179012e+01 1.42 8.305302107e+01 1.44 7.736489260e+01 1.46 7.205528673e+01 1.48 6.709553947e+01 1.50 6.245990933e+01 1.52 5.812478190e+01 1.54 5.406824901e+01 1.56 5.027049552e+01 1.58 4.671349291e+01 1.60 4.338194700e+01 1.62 4.026028314e+01 1.64 3.733508153e+01 1.66 3.459361354e+01 1.68 3.202404336e+01 1.70 2.961539589e+01 1.72 2.735731857e+01 1.74 2.519603916e+01 1.76 2.320469862e+01 1.78 2.133197194e+01 1.80 1.956967788e+01 1.82 1.791564177e+01 1.84 1.636286483e+01 1.86 1.490573903e+01 1.88 1.353900658e+01 1.90 1.225772961e+01 1.92 1.105734295e+01 1.94 9.933508439e+00 1.96 8.882138164e+00 1.98 7.899063903e+00 2.00 6.980941152e+00 2.02 6.124325213e+00 2.04 5.325914582e+00 2.06 4.582573194e+00 2.08 3.891319386e+00 2.10 3.249319207e+00 2.12 2.653446918e+00 2.14 2.101432282e+00 2.16 1.590938180e+00 2.18 1.119756299e+00 2.20 6.855792571e-01 2.22 2.862336319e-01 2.24 -8.028041260e-02 2.26 -4.158799925e-01 2.28 -7.224082750e-01 2.30 -1.001642421e+00 2.32 -1.255302934e+00 2.34 -1.484917204e+00 2.36 -1.691805753e+00 2.38 -1.877385941e+00 2.40 -2.043241170e+00 2.42 -2.190734375e+00 2.44 -2.320935505e+00 2.46 -2.435148224e+00 2.48 -2.534488328e+00 2.50 -2.620014031e+00 2.52 -2.692727165e+00 2.54 -2.753575281e+00 2.56 -2.803453689e+00 2.58 -2.843207473e+00 2.60 -2.873632692e+00 2.62 -2.895336833e+00 2.64 -2.908952975e+00 2.66 -2.915373981e+00 2.68 -2.915221692e+00 2.70 -2.909080478e+00 2.72 -2.897497309e+00 2.74 -2.880983494e+00 2.76 -2.860012464e+00 2.78 -2.835429106e+00 2.80 -2.807524191e+00 2.82 -2.776371897e+00 2.84 -2.742354762e+00 2.86 -2.705570679e+00 2.88 -2.666500902e+00 2.90 -2.625515058e+00 2.92 -2.583050925e+00 2.94 -2.539143270e+00 2.96 -2.494039973e+00 2.98 -2.447525941e+00 3.00 -2.399536391e+00 3.02 -2.350968228e+00 3.04 -2.301977149e+00 3.06 -2.252705618e+00 3.08 -2.203283939e+00 3.10 -2.153830150e+00 3.12 -2.104451644e+00 3.14 -2.055245201e+00 3.16 -2.006297674e+00 3.18 -1.957688136e+00 3.20 -1.909485714e+00 3.22 -1.861754260e+00 3.24 -1.814539899e+00 3.26 -1.768305437e+00 3.28 -1.722803048e+00 3.30 -1.677929475e+00 3.32 -1.633717900e+00 3.34 -1.590196207e+00 3.36 -1.547393505e+00 3.38 -1.505327040e+00 3.40 -1.464030255e+00 3.42 -1.423714078e+00 3.44 -1.384161878e+00 3.46 -1.345385364e+00 3.48 -1.307405922e+00 3.50 -1.270225907e+00 3.52 -1.233828942e+00 3.54 -1.198216838e+00 3.56 -1.163356260e+00 3.58 -1.129194851e+00 3.60 -1.095676489e+00 3.62 -1.062839911e+00 3.64 -1.030756844e+00 3.66 -9.994788821e-01 3.68 -9.690095037e-01 3.70 -9.393057330e-01 3.72 -9.101075019e-01 3.74 -8.815041763e-01 3.76 -8.536278590e-01 3.78 -8.265818983e-01 3.80 -8.004427085e-01 3.82 -7.752635387e-01 3.84 -7.510776929e-01 3.86 -7.279315887e-01 3.88 -7.059929042e-01 3.90 -6.849602664e-01 3.92 -6.645480057e-01 3.94 -6.445422318e-01 3.96 -6.247872658e-01 3.98 -6.051742807e-01 4.00 -5.856548626e-01 4.02 -5.661791286e-01 4.04 -5.466817592e-01 4.06 -5.271284998e-01 4.08 -5.075090862e-01 4.10 -4.878313398e-01 4.12 -4.681012432e-01 4.14 -4.482757777e-01 4.16 -4.284870345e-01 4.18 -4.088733890e-01 4.20 -3.895469863e-01 4.22 -3.705976436e-01 4.24 -3.520818063e-01 4.26 -3.340546826e-01 4.28 -3.165762135e-01 4.30 -2.996894619e-01 4.32 -2.834235889e-01 4.34 -2.677963672e-01 4.36 -2.528163005e-01 4.38 -2.384844062e-01 4.40 -2.247957104e-01 4.42 -2.117404983e-01 4.44 -1.993053590e-01 4.46 -1.874740541e-01 4.48 -1.762282385e-01 4.50 -1.655480540e-01 4.52 -1.554126183e-01 4.54 -1.458004233e-01 4.56 -1.366896612e-01 4.58 -1.280584839e-01 4.60 -1.198852117e-01 4.62 -1.121484969e-01 4.64 -1.048274519e-01 4.66 -9.790174657e-02 4.68 -9.135168005e-02 4.70 -8.515823148e-02 4.72 -7.930309456e-02 4.74 -7.376869814e-02 4.76 -6.853821564e-02 4.78 -6.359556507e-02 4.80 -5.891738627e-02 4.82 -5.473407574e-02 4.84 -5.087041567e-02 4.86 -4.721385231e-02 4.88 -4.375361223e-02 4.90 -4.047944073e-02 4.92 -3.738158376e-02 4.94 -3.445076937e-02 4.96 -3.167818849e-02 4.98 -2.905547565e-02 5.00 -2.657468981e-02 5.02 -2.422829587e-02 5.04 -2.200914627e-02 5.06 -1.991046246e-02 5.08 -1.792581750e-02 5.10 -1.604911912e-02 5.12 -1.427459343e-02 5.14 -1.259676913e-02 5.16 -1.101046226e-02 5.18 -9.510761667e-03 5.20 -8.093015249e-03 5.22 -6.752816743e-03 5.24 -5.485992889e-03 5.26 -4.288568873e-03 5.28 -3.158270355e-03 5.30 -2.123400439e-03 5.32 -1.857105383e-03 5.34 -1.630247639e-03 5.36 -1.422914416e-03 5.38 -1.228560453e-03 5.40 -1.046391269e-03 5.42 -8.756598998e-04 5.44 -7.156641100e-04 5.46 -5.657437741e-04 5.48 -4.252784201e-04 5.50 -2.936849128e-04 5.52 -1.704152390e-04 5.54 -5.421580970e-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