# 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 = Ag2Au # 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 7.711889275e+02 0.90 7.025084920e+02 0.92 6.406693116e+02 0.94 5.849075054e+02 0.96 5.345559236e+02 0.98 4.890323410e+02 1.00 4.478262290e+02 1.02 4.104867905e+02 1.04 3.766150128e+02 1.06 3.458569030e+02 1.08 3.178978238e+02 1.10 2.924594515e+02 1.12 2.692910981e+02 1.14 2.481697153e+02 1.16 2.288957918e+02 1.18 2.112896408e+02 1.20 1.951909895e+02 1.22 1.804560325e+02 1.24 1.669551547e+02 1.26 1.545711671e+02 1.28 1.431992274e+02 1.30 1.327451534e+02 1.32 1.231247571e+02 1.34 1.142617279e+02 1.36 1.060866321e+02 1.38 9.853839404e+01 1.40 9.156139513e+01 1.42 8.510540660e+01 1.44 7.912516361e+01 1.46 7.357953113e+01 1.48 6.843146026e+01 1.50 6.364809048e+01 1.52 5.919943616e+01 1.54 5.505785180e+01 1.56 5.119916989e+01 1.58 4.760107119e+01 1.60 4.424332523e+01 1.62 4.110708428e+01 1.64 3.817563434e+01 1.66 3.543428569e+01 1.68 3.286936284e+01 1.70 3.046820873e+01 1.72 2.821908923e+01 1.74 2.611163041e+01 1.76 2.413613710e+01 1.78 2.224013015e+01 1.80 2.049687592e+01 1.82 1.885848497e+01 1.84 1.731599557e+01 1.86 1.586512672e+01 1.88 1.450060327e+01 1.90 1.321775640e+01 1.92 1.201206835e+01 1.94 1.087935811e+01 1.96 9.815747184e+00 1.98 8.817305061e+00 2.00 7.880943938e+00 2.02 7.003516508e+00 2.04 6.182026478e+00 2.06 5.413643105e+00 2.08 4.695684258e+00 2.10 4.025601997e+00 2.12 3.400970249e+00 2.14 2.819474336e+00 2.16 2.278746561e+00 2.18 1.776718649e+00 2.20 1.311506916e+00 2.22 8.811857675e-01 2.24 4.838016982e-01 2.26 1.175996080e-01 2.28 -2.191416885e-01 2.30 -5.280749735e-01 2.32 -8.107870158e-01 2.34 -1.068800633e+00 2.36 -1.303519640e+00 2.38 -1.516299767e+00 2.40 -1.708565298e+00 2.42 -1.881698200e+00 2.44 -2.036845952e+00 2.46 -2.175165349e+00 2.48 -2.297737873e+00 2.50 -2.405585618e+00 2.52 -2.499812432e+00 2.54 -2.581376716e+00 2.56 -2.651187183e+00 2.58 -2.710103888e+00 2.60 -2.758939602e+00 2.62 -2.798442553e+00 2.64 -2.829226601e+00 2.66 -2.852103434e+00 2.68 -2.867709848e+00 2.70 -2.876646118e+00 2.72 -2.879474600e+00 2.74 -2.876721475e+00 2.76 -2.868878489e+00 2.78 -2.856428625e+00 2.80 -2.839842419e+00 2.82 -2.819444154e+00 2.84 -2.795605648e+00 2.86 -2.768672502e+00 2.88 -2.738965184e+00 2.90 -2.706833130e+00 2.92 -2.672814601e+00 2.94 -2.636667773e+00 2.96 -2.598805699e+00 2.98 -2.559447388e+00 3.00 -2.518722724e+00 3.02 -2.476558004e+00 3.04 -2.433456811e+00 3.06 -2.389593468e+00 3.08 -2.345114446e+00 3.10 -2.300152921e+00 3.12 -2.254830943e+00 3.14 -2.209260266e+00 3.16 -2.163543413e+00 3.18 -2.117774006e+00 3.20 -2.072037009e+00 3.22 -2.026410776e+00 3.24 -1.980965463e+00 3.26 -1.935765527e+00 3.28 -1.890868809e+00 3.30 -1.846328023e+00 3.32 -1.802189978e+00 3.34 -1.758497758e+00 3.36 -1.715287974e+00 3.38 -1.672596581e+00 3.40 -1.630482082e+00 3.42 -1.589364866e+00 3.44 -1.548821839e+00 3.46 -1.508870119e+00 3.48 -1.469534044e+00 3.50 -1.430828048e+00 3.52 -1.392760200e+00 3.54 -1.355348501e+00 3.56 -1.318612876e+00 3.58 -1.282558778e+00 3.60 -1.247187893e+00 3.62 -1.212484518e+00 3.64 -1.178434240e+00 3.66 -1.145006772e+00 3.68 -1.112185350e+00 3.70 -1.080008637e+00 3.72 -1.048512940e+00 3.74 -1.017727353e+00 3.76 -9.876112601e-01 3.78 -9.579013151e-01 3.80 -9.287144303e-01 3.82 -9.002154084e-01 3.84 -8.725276478e-01 3.86 -8.456558283e-01 3.88 -8.196677802e-01 3.90 -7.946587980e-01 3.92 -7.708370335e-01 3.94 -7.482519614e-01 3.96 -7.265363222e-01 3.98 -7.054062411e-01 4.00 -6.847165230e-01 4.02 -6.642925699e-01 4.04 -6.439018096e-01 4.06 -6.233891487e-01 4.08 -6.026607732e-01 4.10 -5.816704914e-01 4.12 -5.604084988e-01 4.14 -5.388921869e-01 4.16 -5.171482351e-01 4.18 -4.951432476e-01 4.20 -4.730353407e-01 4.22 -4.510022746e-01 4.24 -4.291595486e-01 4.26 -4.076333107e-01 4.28 -3.865660666e-01 4.30 -3.660662750e-01 4.32 -3.462142876e-01 4.34 -3.270673608e-01 4.36 -3.086638709e-01 4.38 -2.910268535e-01 4.40 -2.741669663e-01 4.42 -2.580849645e-01 4.44 -2.427737637e-01 4.46 -2.282201544e-01 4.48 -2.144062221e-01 4.50 -2.013105174e-01 4.52 -1.889090173e-01 4.54 -1.771759123e-01 4.56 -1.660842456e-01 4.58 -1.556064296e-01 4.60 -1.457146585e-01 4.62 -1.363812368e-01 4.64 -1.275788359e-01 4.66 -1.192806942e-01 4.68 -1.114607659e-01 4.70 -1.040938322e-01 4.72 -9.715557915e-02 4.74 -9.062265024e-02 4.76 -8.447267729e-02 4.78 -7.868429384e-02 4.80 -7.322908439e-02 4.82 -6.833377276e-02 4.84 -6.381800346e-02 4.86 -5.956456107e-02 4.88 -5.555870048e-02 4.90 -5.178643976e-02 4.92 -4.823453216e-02 4.94 -4.489043711e-02 4.96 -4.174228997e-02 4.98 -3.877887171e-02 5.00 -3.598957891e-02 5.02 -3.336439436e-02 5.04 -3.089385811e-02 5.06 -2.856903902e-02 5.08 -2.638150742e-02 5.10 -2.432330888e-02 5.12 -2.238693906e-02 5.14 -2.056531942e-02 5.16 -1.885177394e-02 5.18 -1.724000707e-02 5.20 -1.572408279e-02 5.22 -1.429840480e-02 5.24 -1.295769743e-02 5.26 -1.169698760e-02 5.28 -1.051158787e-02 5.30 -9.397080469e-03 5.32 -8.349302008e-03 5.34 -7.364329030e-03 5.36 -6.438464390e-03 5.38 -5.568224440e-03 5.40 -4.750326993e-03 5.42 -3.981679794e-03 5.44 -3.259369665e-03 5.46 -2.580652312e-03 5.48 -1.942942742e-03 5.50 -1.343806218e-03 5.52 -7.809496102e-04 5.54 -2.488179204e-04 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