# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--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 2024-04-11 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 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 4.929721865e+02 1.16 4.583010449e+02 1.18 4.261970491e+02 1.20 3.964482750e+02 1.22 3.688389540e+02 1.24 3.431629226e+02 1.26 3.192366983e+02 1.28 2.969070470e+02 1.30 2.760480249e+02 1.32 2.565510946e+02 1.34 2.383179337e+02 1.36 2.212575320e+02 1.38 2.052853972e+02 1.40 1.903263573e+02 1.42 1.763175844e+02 1.44 1.632052561e+02 1.46 1.509371656e+02 1.48 1.394589001e+02 1.50 1.287147173e+02 1.52 1.186489696e+02 1.54 1.092064666e+02 1.56 1.003332753e+02 1.58 9.197866652e+01 1.60 8.409721759e+01 1.62 7.664997116e+01 1.64 6.961183293e+01 1.66 6.300530139e+01 1.68 5.693466423e+01 1.70 5.137164186e+01 1.72 4.628001170e+01 1.74 4.162573931e+01 1.76 3.737494994e+01 1.78 3.349322194e+01 1.80 2.994659115e+01 1.82 2.670344015e+01 1.84 2.373607912e+01 1.86 2.102130727e+01 1.88 1.853986560e+01 1.90 1.627513836e+01 1.92 1.421172980e+01 1.94 1.233451733e+01 1.96 1.062841165e+01 1.98 9.078623342e+00 2.00 7.671078329e+00 2.02 6.392739644e+00 2.04 5.231764507e+00 2.06 4.177518849e+00 2.08 3.220492129e+00 2.10 2.352154126e+00 2.12 1.564797289e+00 2.14 8.514065568e-01 2.16 2.055810743e-01 2.18 -3.784963703e-01 2.20 -9.060671121e-01 2.22 -1.381807306e+00 2.24 -1.809854709e+00 2.26 -2.193852605e+00 2.28 -2.537007075e+00 2.30 -2.842154158e+00 2.32 -3.111834793e+00 2.34 -3.348375010e+00 2.36 -3.553966642e+00 2.38 -3.731953606e+00 2.40 -3.887299206e+00 2.42 -4.021256116e+00 2.44 -4.135012505e+00 2.46 -4.229867924e+00 2.48 -4.307173923e+00 2.50 -4.368283344e+00 2.52 -4.414520390e+00 2.54 -4.447171539e+00 2.56 -4.467486063e+00 2.58 -4.476672071e+00 2.60 -4.475880258e+00 2.62 -4.466177153e+00 2.64 -4.448516165e+00 2.66 -4.423715508e+00 2.68 -4.392449679e+00 2.70 -4.355323713e+00 2.72 -4.312730947e+00 2.74 -4.264911762e+00 2.76 -4.212046534e+00 2.78 -4.154272876e+00 2.80 -4.091703370e+00 2.82 -4.024444466e+00 2.84 -3.952618226e+00 2.86 -3.876388104e+00 2.88 -3.795988534e+00 2.90 -3.711753126e+00 2.92 -3.624139728e+00 2.94 -3.533747732e+00 2.96 -3.441310881e+00 2.98 -3.347664033e+00 3.00 -3.253686200e+00 3.02 -3.160229514e+00 3.04 -3.068049114e+00 3.06 -2.977749051e+00 3.08 -2.889753726e+00 3.10 -2.804306645e+00 3.12 -2.721490946e+00 3.14 -2.641262846e+00 3.16 -2.563498263e+00 3.18 -2.488141420e+00 3.20 -2.415160464e+00 3.22 -2.344466739e+00 3.24 -2.275941788e+00 3.26 -2.209457537e+00 3.28 -2.144889189e+00 3.30 -2.082122942e+00 3.32 -2.021060135e+00 3.34 -1.961618927e+00 3.36 -1.903734251e+00 3.38 -1.847356565e+00 3.40 -1.792449775e+00 3.42 -1.738988654e+00 3.44 -1.686956022e+00 3.46 -1.636339974e+00 3.48 -1.587131307e+00 3.50 -1.539321296e+00 3.52 -1.492899880e+00 3.54 -1.447854285e+00 3.56 -1.404168035e+00 3.58 -1.361820323e+00 3.60 -1.320785664e+00 3.62 -1.281033792e+00 3.64 -1.242529745e+00 3.66 -1.205234094e+00 3.68 -1.169103318e+00 3.70 -1.134090284e+00 3.72 -1.100144842e+00 3.74 -1.067214506e+00 3.76 -1.035245225e+00 3.78 -1.004182199e+00 3.80 -9.739707394e-01 3.82 -9.445571062e-01 3.84 -9.158893247e-01 3.86 -8.879179307e-01 3.88 -8.605966399e-01 3.90 -8.338829388e-01 3.92 -8.077386097e-01 3.94 -7.821302274e-01 3.96 -7.570296306e-01 3.98 -7.324144354e-01 4.00 -7.082685702e-01 4.02 -6.845828301e-01 4.04 -6.613553939e-01 4.06 -6.385922105e-01 4.08 -6.163071247e-01 4.10 -5.945215872e-01 4.12 -5.732638321e-01 4.14 -5.525673563e-01 4.16 -5.324687801e-01 4.18 -5.130051184e-01 4.20 -4.942107149e-01 4.22 -4.761141551e-01 4.24 -4.587355224e-01 4.26 -4.420843284e-01 4.28 -4.261583500e-01 4.30 -4.109434536e-01 4.32 -3.964143344e-01 4.34 -3.825359742e-01 4.36 -3.692655501e-01 4.38 -3.565545213e-01 4.40 -3.443506575e-01 4.42 -3.325998452e-01 4.44 -3.212475807e-01 4.46 -3.102401278e-01 4.48 -2.995253670e-01 4.50 -2.890533963e-01 4.52 -2.787769565e-01 4.54 -2.686517590e-01 4.56 -2.586367866e-01 4.58 -2.486946279e-01 4.60 -2.387918907e-01 4.62 -2.288997246e-01 4.64 -2.189944613e-01 4.66 -2.090583627e-01 4.68 -1.990804402e-01 4.70 -1.890572863e-01 4.72 -1.789938317e-01 4.74 -1.689039267e-01 4.76 -1.588106275e-01 4.78 -1.487460765e-01 4.80 -1.387508808e-01 4.82 -1.288729456e-01 4.84 -1.191657388e-01 4.86 -1.096860979e-01 4.88 -1.004916871e-01 4.90 -9.163831434e-02 4.92 -8.317732927e-02 4.94 -7.515332552e-02 4.96 -6.760232838e-02 4.98 -6.055061229e-02 5.00 -5.401418006e-02 5.02 -4.799886883e-02 5.04 -4.250101807e-02 5.06 -3.750856130e-02 5.08 -3.300239452e-02 5.10 -2.895863184e-02 5.12 -2.534921892e-02 5.14 -2.214203141e-02 5.16 -1.930387605e-02 5.18 -1.680151624e-02 5.20 -1.460246812e-02 5.22 -1.267560409e-02 5.24 -1.099157842e-02 5.26 -9.523022970e-03 5.28 -8.244605974e-03 5.30 -7.133712279e-03 5.32 -6.169880931e-03 5.34 -5.334710284e-03 5.36 -4.611777509e-03 5.38 -3.986519011e-03 5.40 -3.446088507e-03 5.42 -2.979204917e-03 5.44 -2.575998632e-03 5.46 -2.227861946e-03 5.48 -1.927307390e-03 5.50 -1.667836192e-03 5.52 -1.443817958e-03 5.54 -1.250381926e-03 5.56 -1.083319613e-03 5.58 -9.389983175e-04 5.60 -8.142847572e-04 5.62 -7.064780044e-04 5.64 -6.132508326e-04 5.66 -5.325986061e-04 5.68 -4.627948710e-04 5.70 -4.023528644e-04 5.72 -3.499922194e-04 5.74 -3.046102114e-04 5.76 -2.652569610e-04 5.78 -2.311140709e-04 5.80 -2.014762379e-04 5.82 -1.757354355e-04 5.84 -1.533673149e-04 5.86 -1.339195170e-04 5.88 -1.170016298e-04 5.90 -1.022765594e-04 5.92 -8.945311717e-05 5.94 -7.827965058e-05 5.96 -6.853857001e-05 5.98 -6.004164506e-05 6.00 -5.262596097e-05