# 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 = Ag2Pt # 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 8.615617123e+02 0.90 7.865043377e+02 0.92 7.187307114e+02 0.94 6.574294635e+02 0.96 6.018993864e+02 0.98 5.515263912e+02 1.00 5.057755889e+02 1.02 4.641728807e+02 1.04 4.263019960e+02 1.06 3.917944226e+02 1.08 3.603199492e+02 1.10 3.315893810e+02 1.12 3.053411789e+02 1.14 2.813406361e+02 1.16 2.593788028e+02 1.18 2.392667817e+02 1.20 2.208345647e+02 1.22 2.039278611e+02 1.24 1.884109396e+02 1.26 1.741584932e+02 1.28 1.610573200e+02 1.30 1.490029040e+02 1.32 1.379044137e+02 1.34 1.276783926e+02 1.36 1.182485372e+02 1.38 1.095460656e+02 1.40 1.015081450e+02 1.42 9.407718091e+01 1.44 8.720251811e+01 1.46 8.083704356e+01 1.48 7.493826147e+01 1.50 6.946764868e+01 1.52 6.439004550e+01 1.54 5.967307013e+01 1.56 5.528754211e+01 1.58 5.120691068e+01 1.60 4.740804558e+01 1.62 4.386850896e+01 1.64 4.056887001e+01 1.66 3.749084538e+01 1.68 3.461776203e+01 1.70 3.193440295e+01 1.72 2.942668529e+01 1.74 2.708211277e+01 1.76 2.488903000e+01 1.78 2.283615954e+01 1.80 2.087127623e+01 1.82 1.906737318e+01 1.84 1.737875215e+01 1.86 1.579799845e+01 1.88 1.431819142e+01 1.90 1.293295811e+01 1.92 1.163646317e+01 1.94 1.042338557e+01 1.96 9.288828202e+00 1.98 8.227956342e+00 2.00 7.236896276e+00 2.02 6.311773186e+00 2.04 5.448941169e+00 2.06 4.644989918e+00 2.08 3.896719546e+00 2.10 3.201121318e+00 2.12 2.554988428e+00 2.14 1.955894097e+00 2.16 1.401286081e+00 2.18 8.887842809e-01 2.20 4.162225132e-01 2.22 -1.854949356e-02 2.24 -4.175198559e-01 2.26 -7.826700601e-01 2.28 -1.116137083e+00 2.30 -1.419784207e+00 2.32 -1.695426312e+00 2.34 -1.944678522e+00 2.36 -2.169153302e+00 2.38 -2.370392644e+00 2.40 -2.549870423e+00 2.42 -2.709054112e+00 2.44 -2.849235271e+00 2.46 -2.971688983e+00 2.48 -3.077620350e+00 2.50 -3.168112603e+00 2.52 -3.244205461e+00 2.54 -3.306993738e+00 2.56 -3.357618365e+00 2.58 -3.397025083e+00 2.60 -3.426107434e+00 2.62 -3.445708299e+00 2.64 -3.456621425e+00 2.66 -3.459593053e+00 2.68 -3.455323549e+00 2.70 -3.444469121e+00 2.72 -3.427643575e+00 2.74 -3.405420110e+00 2.76 -3.378329876e+00 2.78 -3.347199538e+00 2.80 -3.312395113e+00 2.82 -3.274082601e+00 2.84 -3.232661731e+00 2.86 -3.188498140e+00 2.88 -3.141898516e+00 2.90 -3.092311475e+00 2.92 -3.040980320e+00 2.94 -2.988099661e+00 2.96 -2.933995684e+00 2.98 -2.878889514e+00 3.00 -2.822984635e+00 3.02 -2.766467058e+00 3.04 -2.709506414e+00 3.06 -2.652257149e+00 3.08 -2.594859643e+00 3.10 -2.537441292e+00 3.12 -2.480117623e+00 3.14 -2.422992824e+00 3.16 -2.366160719e+00 3.18 -2.309706202e+00 3.20 -2.253704841e+00 3.22 -2.198224281e+00 3.24 -2.143316527e+00 3.26 -2.089496974e+00 3.28 -2.036487429e+00 3.30 -1.984168238e+00 3.32 -1.932578560e+00 3.34 -1.881750147e+00 3.36 -1.831713269e+00 3.38 -1.782492199e+00 3.40 -1.734119143e+00 3.42 -1.686797534e+00 3.44 -1.640338666e+00 3.46 -1.594739784e+00 3.48 -1.550005641e+00 3.50 -1.506121836e+00 3.52 -1.463038715e+00 3.54 -1.420734199e+00 3.56 -1.379263444e+00 3.58 -1.338679758e+00 3.60 -1.299012973e+00 3.62 -1.260247306e+00 3.64 -1.222370432e+00 3.66 -1.185337806e+00 3.68 -1.149147625e+00 3.70 -1.113812656e+00 3.72 -1.079346162e+00 3.74 -1.045758769e+00 3.76 -1.012866425e+00 3.78 -9.805429692e-01 3.80 -9.489666210e-01 3.82 -9.182756647e-01 3.84 -8.885712582e-01 3.86 -8.598616778e-01 3.88 -8.321944094e-01 3.90 -8.056624020e-01 3.92 -7.805243282e-01 3.94 -7.564950243e-01 3.96 -7.332367159e-01 3.98 -7.104979555e-01 4.00 -6.881450757e-01 4.02 -6.660342042e-01 4.04 -6.439854572e-01 4.06 -6.218825244e-01 4.08 -5.996590865e-01 4.10 -5.772874028e-01 4.12 -5.547689462e-01 4.14 -5.321267587e-01 4.16 -5.093317654e-01 4.18 -4.864482264e-01 4.20 -4.636638691e-01 4.22 -4.411320794e-01 4.24 -4.189499163e-01 4.26 -3.972190483e-01 4.28 -3.760539934e-01 4.30 -3.555401315e-01 4.32 -3.357388512e-01 4.34 -3.166918852e-01 4.36 -2.984249580e-01 4.38 -2.809508449e-01 4.40 -2.642719309e-01 4.42 -2.483823462e-01 4.44 -2.332697434e-01 4.46 -2.189167732e-01 4.48 -2.053023036e-01 4.50 -1.924024226e-01 4.52 -1.801912605e-01 4.54 -1.686416597e-01 4.56 -1.577257200e-01 4.58 -1.474152324e-01 4.60 -1.376820273e-01 4.62 -1.284982478e-01 4.64 -1.198365622e-01 4.66 -1.116703274e-01 4.68 -1.039737082e-01 4.70 -9.672176373e-02 4.72 -8.989050667e-02 4.74 -8.345693946e-02 4.76 -7.739907309e-02 4.78 -7.169593048e-02 4.80 -6.631953415e-02 4.82 -6.149556738e-02 4.84 -5.704489051e-02 4.86 -5.285124338e-02 4.88 -4.890024805e-02 4.90 -4.517827201e-02 4.92 -4.167239965e-02 4.94 -3.837040298e-02 4.96 -3.526071146e-02 4.98 -3.233238210e-02 5.00 -2.957506976e-02 5.02 -2.697899860e-02 5.04 -2.453493402e-02 5.06 -2.223415448e-02 5.08 -2.006842521e-02 5.10 -1.802997276e-02 5.12 -1.611146067e-02 5.14 -1.430596594e-02 5.16 -1.260695657e-02 5.18 -1.100827024e-02 5.20 -9.504094098e-03 5.22 -8.088945614e-03 5.24 -6.757654018e-03 5.26 -5.505323314e-03 5.28 -4.328641216e-03 5.30 -3.251210423e-03 5.32 -2.860496223e-03 5.34 -2.514212834e-03 5.36 -2.194312672e-03 5.38 -1.894476415e-03 5.40 -1.613471504e-03 5.42 -1.350139594e-03 5.44 -1.103392143e-03 5.46 -8.722062849e-04 5.48 -6.556209500e-04 5.50 -4.527332180e-04 5.52 -2.626948341e-04 5.54 -8.357038360e-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