# 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 = PdPt2 # 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 1.570650805e+03 0.86 1.430626886e+03 0.88 1.304630849e+03 0.90 1.191049718e+03 0.92 1.088482753e+03 0.94 9.957117482e+02 0.96 9.116731868e+02 0.98 8.354356543e+02 1.00 7.661812125e+02 1.02 7.031893318e+02 1.04 6.458235357e+02 1.06 5.935213879e+02 1.08 5.457831655e+02 1.10 5.021650501e+02 1.12 4.622718827e+02 1.14 4.257503961e+02 1.16 3.922849702e+02 1.18 3.615929298e+02 1.20 3.334204573e+02 1.22 3.075391015e+02 1.24 2.837436727e+02 1.26 2.618490949e+02 1.28 2.416886116e+02 1.30 2.231110627e+02 1.32 2.059800417e+02 1.34 1.901720821e+02 1.36 1.755752053e+02 1.38 1.620878070e+02 1.40 1.496175879e+02 1.42 1.380803260e+02 1.44 1.273997971e+02 1.46 1.175064202e+02 1.48 1.083367304e+02 1.50 9.983301846e+01 1.52 9.194254732e+01 1.54 8.461715698e+01 1.56 7.781257220e+01 1.58 7.148835842e+01 1.60 6.560780588e+01 1.62 6.013715002e+01 1.64 5.504535676e+01 1.66 5.030403570e+01 1.68 4.588711870e+01 1.70 4.177064532e+01 1.72 3.793258460e+01 1.74 3.436387029e+01 1.76 3.105353819e+01 1.78 2.798517283e+01 1.80 2.514205632e+01 1.82 2.250869755e+01 1.84 2.006710199e+01 1.86 1.781478731e+01 1.88 1.573533767e+01 1.90 1.381707828e+01 1.92 1.204951470e+01 1.94 1.042260927e+01 1.96 8.926944762e+00 1.98 7.553681719e+00 2.00 6.294519428e+00 2.02 5.141660224e+00 2.04 4.087776958e+00 2.06 3.125744684e+00 2.08 2.248857581e+00 2.10 1.452137835e+00 2.12 7.287961204e-01 2.14 7.366083949e-02 2.16 -5.180857246e-01 2.18 -1.051164846e+00 2.20 -1.530002964e+00 2.22 -1.958746295e+00 2.24 -2.341274583e+00 2.26 -2.681214169e+00 2.28 -2.981950522e+00 2.30 -3.246761447e+00 2.32 -3.478305188e+00 2.34 -3.679053950e+00 2.36 -3.851663777e+00 2.38 -3.998814370e+00 2.40 -4.122692885e+00 2.42 -4.225322907e+00 2.44 -4.308575061e+00 2.46 -4.374176960e+00 2.48 -4.423722782e+00 2.50 -4.458682445e+00 2.52 -4.480410388e+00 2.54 -4.490153884e+00 2.56 -4.489021479e+00 2.58 -4.477793599e+00 2.60 -4.457763266e+00 2.62 -4.429833634e+00 2.64 -4.394825199e+00 2.66 -4.353844392e+00 2.68 -4.307547490e+00 2.70 -4.256112451e+00 2.72 -4.198665851e+00 2.74 -4.137014196e+00 2.76 -4.072065980e+00 2.78 -4.005503795e+00 2.80 -3.937209023e+00 2.82 -3.866718773e+00 2.84 -3.794381736e+00 2.86 -3.720517526e+00 2.88 -3.645418889e+00 2.90 -3.569353763e+00 2.92 -3.492567148e+00 2.94 -3.415280775e+00 2.96 -3.337647886e+00 2.98 -3.259149729e+00 3.00 -3.180638768e+00 3.02 -3.102404486e+00 3.04 -3.024570672e+00 3.06 -2.947262790e+00 3.08 -2.870591985e+00 3.10 -2.794657822e+00 3.12 -2.719549448e+00 3.14 -2.645346670e+00 3.16 -2.572119666e+00 3.18 -2.499930988e+00 3.20 -2.428835102e+00 3.22 -2.358879456e+00 3.24 -2.290093519e+00 3.26 -2.223884207e+00 3.28 -2.159333589e+00 3.30 -2.095942933e+00 3.32 -2.033737168e+00 3.34 -1.972757980e+00 3.36 -1.912980070e+00 3.38 -1.854280020e+00 3.40 -1.796582597e+00 3.42 -1.739982698e+00 3.44 -1.684624447e+00 3.46 -1.630603108e+00 3.48 -1.577900589e+00 3.50 -1.526489409e+00 3.52 -1.476353039e+00 3.54 -1.427478716e+00 3.56 -1.379847962e+00 3.58 -1.333452672e+00 3.60 -1.288290446e+00 3.62 -1.244334135e+00 3.64 -1.201499413e+00 3.66 -1.159738168e+00 3.68 -1.119046714e+00 3.70 -1.079464707e+00 3.72 -1.041024912e+00 3.74 -1.003677430e+00 3.76 -9.673238534e-01 3.78 -9.320047248e-01 3.80 -8.977514913e-01 3.82 -8.645846439e-01 3.84 -8.325133677e-01 3.86 -8.015412619e-01 3.88 -7.716679226e-01 3.90 -7.429930398e-01 3.92 -7.154337569e-01 3.94 -6.888065613e-01 3.96 -6.629446499e-01 3.98 -6.377505862e-01 4.00 -6.131589852e-01 4.02 -5.891234034e-01 4.04 -5.656122721e-01 4.06 -5.426055322e-01 4.08 -5.200918645e-01 4.10 -4.980798335e-01 4.12 -4.765801144e-01 4.14 -4.555416392e-01 4.16 -4.348805060e-01 4.18 -4.146383630e-01 4.20 -3.948658080e-01 4.22 -3.756024624e-01 4.24 -3.568785805e-01 4.26 -3.387164363e-01 4.28 -3.211315179e-01 4.30 -3.041335576e-01 4.32 -2.877274197e-01 4.34 -2.719126432e-01 4.36 -2.566691246e-01 4.38 -2.420016919e-01 4.40 -2.279189466e-01 4.42 -2.144229424e-01 4.44 -2.015104333e-01 4.46 -1.891739282e-01 4.48 -1.774025785e-01 4.50 -1.661829241e-01 4.52 -1.554995176e-01 4.54 -1.453354444e-01 4.56 -1.356727549e-01 4.58 -1.264955115e-01 4.60 -1.183442702e-01 4.62 -1.111431034e-01 4.64 -1.042948357e-01 4.66 -9.778505689e-02 4.68 -9.159949115e-02 4.70 -8.572408238e-02 4.72 -8.014506179e-02 4.74 -7.484900038e-02 4.76 -6.982284859e-02 4.78 -6.505396541e-02 4.80 -6.053013866e-02 4.82 -5.623959798e-02 4.84 -5.217102179e-02 4.86 -4.831353934e-02 4.88 -4.465672883e-02 4.90 -4.119061220e-02 4.92 -3.790564746e-02 4.94 -3.479271899e-02 4.96 -3.184312638e-02 4.98 -2.904857210e-02 5.00 -2.640114837e-02 5.02 -2.389332354e-02 5.04 -2.151792806e-02 5.06 -1.926814035e-02 5.08 -1.713747264e-02 5.10 -1.511975696e-02 5.12 -1.320913130e-02 5.14 -1.140002611e-02 5.16 -9.687151088e-03 5.18 -8.065482380e-03 5.20 -6.530250158e-03 5.22 -5.076926618e-03 5.24 -3.701214434e-03 5.26 -2.399035659e-03 5.28 -1.167277039e-03 5.30 -1.825911667e-15 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 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