# 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 = Ag2Cu # 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 2.974266184e+02 0.90 2.732068013e+02 0.92 2.517804232e+02 0.94 2.327344993e+02 0.96 2.157076712e+02 0.98 2.004102281e+02 1.00 1.865923540e+02 1.02 1.740427410e+02 1.04 1.625883577e+02 1.06 1.520813488e+02 1.08 1.423986290e+02 1.10 1.334387444e+02 1.12 1.251136420e+02 1.14 1.173473282e+02 1.16 1.100830982e+02 1.18 1.032727718e+02 1.20 9.687574054e+01 1.22 9.085199325e+01 1.24 8.517617344e+01 1.26 7.982152723e+01 1.28 7.476652650e+01 1.30 6.999150703e+01 1.32 6.547896169e+01 1.34 6.121482543e+01 1.36 5.718567537e+01 1.38 5.337899721e+01 1.40 4.978549358e+01 1.42 4.639487144e+01 1.44 4.319752743e+01 1.46 4.018194557e+01 1.48 3.734023808e+01 1.50 3.466644046e+01 1.52 3.215242683e+01 1.54 2.978963085e+01 1.56 2.757200289e+01 1.58 2.549238550e+01 1.60 2.354388233e+01 1.62 2.171935212e+01 1.64 2.001259986e+01 1.66 1.837274744e+01 1.68 1.687859219e+01 1.70 1.548145490e+01 1.72 1.417569070e+01 1.74 1.295633176e+01 1.76 1.181762327e+01 1.78 1.075502874e+01 1.80 9.742899792e+00 1.82 8.808981473e+00 1.84 7.929465621e+00 1.86 7.101765588e+00 1.88 6.323586418e+00 1.90 5.592828805e+00 1.92 4.907371687e+00 1.94 4.265176218e+00 1.96 3.664276339e+00 1.98 3.101573394e+00 2.00 2.576078144e+00 2.02 2.086503897e+00 2.04 1.631076585e+00 2.06 1.208075572e+00 2.08 8.158335164e-01 2.10 4.527369347e-01 2.12 1.172268276e-01 2.14 -1.921961998e-01 2.16 -4.771160636e-01 2.18 -7.389144757e-01 2.20 -9.787754795e-01 2.22 -1.197276300e+00 2.24 -1.396202093e+00 2.26 -1.576975292e+00 2.28 -1.740700801e+00 2.30 -1.888432445e+00 2.32 -2.021173956e+00 2.34 -2.139880128e+00 2.36 -2.245458127e+00 2.38 -2.338768900e+00 2.40 -2.420627833e+00 2.42 -2.491869024e+00 2.44 -2.552938693e+00 2.46 -2.604383151e+00 2.48 -2.647269607e+00 2.50 -2.682210689e+00 2.52 -2.709783578e+00 2.54 -2.730532557e+00 2.56 -2.744970477e+00 2.58 -2.753556317e+00 2.60 -2.757682705e+00 2.62 -2.757070261e+00 2.64 -2.751847748e+00 2.66 -2.742397678e+00 2.68 -2.729078864e+00 2.70 -2.712227709e+00 2.72 -2.692159391e+00 2.74 -2.669169000e+00 2.76 -2.643531654e+00 2.78 -2.615434041e+00 2.80 -2.584253885e+00 2.82 -2.551196799e+00 2.84 -2.516486547e+00 2.86 -2.480249145e+00 2.88 -2.442544930e+00 2.90 -2.403709716e+00 2.92 -2.364039680e+00 2.94 -2.323549383e+00 2.96 -2.282372065e+00 2.98 -2.240631069e+00 3.00 -2.198440587e+00 3.02 -2.155907926e+00 3.04 -2.113389385e+00 3.06 -2.071053477e+00 3.08 -2.028614032e+00 3.10 -1.986153931e+00 3.12 -1.943744887e+00 3.14 -1.901452605e+00 3.16 -1.859336616e+00 3.18 -1.817452632e+00 3.20 -1.775849566e+00 3.22 -1.734574058e+00 3.24 -1.693665836e+00 3.26 -1.653164002e+00 3.28 -1.613098788e+00 3.30 -1.573503827e+00 3.32 -1.534416554e+00 3.34 -1.495822754e+00 3.36 -1.457712052e+00 3.38 -1.420020498e+00 3.40 -1.382759326e+00 3.42 -1.346269024e+00 3.44 -1.310404964e+00 3.46 -1.275162471e+00 3.48 -1.240547159e+00 3.50 -1.206555141e+00 3.52 -1.173184455e+00 3.54 -1.140440679e+00 3.56 -1.108332933e+00 3.58 -1.076841056e+00 3.60 -1.045949869e+00 3.62 -1.015677049e+00 3.64 -9.860418324e-01 3.66 -9.570589709e-01 3.68 -9.286599724e-01 3.70 -9.005994838e-01 3.72 -8.730368327e-01 3.74 -8.461279050e-01 3.76 -8.199836243e-01 3.78 -7.946934035e-01 3.80 -7.703206039e-01 3.82 -7.469082082e-01 3.84 -7.246888411e-01 3.86 -7.034550298e-01 3.88 -6.828421863e-01 3.90 -6.625873394e-01 3.92 -6.425022465e-01 3.94 -6.224583392e-01 3.96 -6.023742343e-01 3.98 -5.822107846e-01 4.00 -5.619949111e-01 4.02 -5.416755546e-01 4.04 -5.212104398e-01 4.06 -5.005878508e-01 4.08 -4.797666321e-01 4.10 -4.587549752e-01 4.12 -4.377346205e-01 4.14 -4.168593175e-01 4.16 -3.962541549e-01 4.18 -3.760198201e-01 4.20 -3.562362737e-01 4.22 -3.369626605e-01 4.24 -3.182212536e-01 4.26 -3.000676963e-01 4.28 -2.825512442e-01 4.30 -2.657047787e-01 4.32 -2.495478668e-01 4.34 -2.340893303e-01 4.36 -2.193293906e-01 4.38 -2.052614607e-01 4.40 -1.918736298e-01 4.42 -1.791498928e-01 4.44 -1.670711678e-01 4.46 -1.556161304e-01 4.48 -1.447619029e-01 4.50 -1.344846045e-01 4.52 -1.247598028e-01 4.54 -1.155628733e-01 4.56 -1.068692881e-01 4.58 -9.865484092e-02 4.60 -9.089581894e-02 4.62 -8.356913541e-02 4.64 -7.665242647e-02 4.66 -7.012412302e-02 4.68 -6.396349486e-02 4.70 -5.815067803e-02 4.72 -5.266668774e-02 4.74 -4.749341916e-02 4.76 -4.261364119e-02 4.78 -3.801097807e-02 4.80 -3.366214274e-02 4.82 -2.978902993e-02 4.84 -2.622163811e-02 4.86 -2.285086328e-02 4.88 -1.966600838e-02 4.90 -1.665693301e-02 4.92 -1.381347387e-02 4.94 -1.106044963e-02 4.96 -9.412244312e-03 4.98 -8.786643197e-03 5.00 -8.137832546e-03 5.02 -7.528385460e-03 5.04 -6.956403575e-03 5.06 -6.419627435e-03 5.08 -5.915930534e-03 5.10 -5.443311935e-03 5.12 -4.999889247e-03 5.14 -4.583891863e-03 5.16 -4.193654516e-03 5.18 -3.827611207e-03 5.20 -3.484289462e-03 5.22 -3.162304910e-03 5.24 -2.860356078e-03 5.26 -2.577219518e-03 5.28 -2.311745213e-03 5.30 -2.062852264e-03 5.32 -1.829524806e-03 5.34 -1.610808123e-03 5.36 -1.405805019e-03 5.38 -1.213672410e-03 5.40 -1.033618131e-03 5.42 -8.648978836e-04 5.44 -7.068123758e-04 5.46 -5.587046430e-04 5.48 -4.199575337e-04 5.50 -2.899913450e-04 5.52 -1.682615673e-04 5.54 -5.352750810e-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