# 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 = AgAu2 # 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 4.093524422e+02 1.16 3.780670905e+02 1.18 3.492726013e+02 1.20 3.227508729e+02 1.22 2.983034202e+02 1.24 2.757498841e+02 1.26 2.549266707e+02 1.28 2.356858431e+02 1.30 2.178943069e+02 1.32 2.014325679e+02 1.34 1.861927776e+02 1.36 1.720767259e+02 1.38 1.589944753e+02 1.40 1.468635945e+02 1.42 1.356087853e+02 1.44 1.251617753e+02 1.46 1.154609801e+02 1.48 1.064505293e+02 1.50 9.807901759e+01 1.52 9.029863242e+01 1.54 8.306479196e+01 1.56 7.633599801e+01 1.58 7.009403979e+01 1.60 6.432515790e+01 1.62 5.899174845e+01 1.64 5.406109093e+01 1.66 4.950261239e+01 1.68 4.528782244e+01 1.70 4.139071846e+01 1.72 3.778748017e+01 1.74 3.445623663e+01 1.76 3.137686568e+01 1.78 2.853077823e+01 1.80 2.590070280e+01 1.82 2.347053940e+01 1.84 2.122532099e+01 1.86 1.915124320e+01 1.88 1.723568647e+01 1.90 1.546717713e+01 1.92 1.383527412e+01 1.94 1.233039907e+01 1.96 1.094364966e+01 1.98 9.666646794e+00 2.00 8.491451310e+00 2.02 7.410549661e+00 2.04 6.416877393e+00 2.06 5.503844216e+00 2.08 4.665340346e+00 2.10 3.895721712e+00 2.12 3.189780952e+00 2.14 2.542712389e+00 2.16 1.950077654e+00 2.18 1.407776637e+00 2.20 9.120259476e-01 2.22 4.593436141e-01 2.24 4.653595757e-02 2.26 -3.293177187e-01 2.28 -6.708848139e-01 2.30 -9.806030966e-01 2.32 -1.260706567e+00 2.34 -1.513251586e+00 2.36 -1.740141778e+00 2.38 -1.943150613e+00 2.40 -2.123940920e+00 2.42 -2.284081055e+00 2.44 -2.425057825e+00 2.46 -2.548367475e+00 2.48 -2.655523488e+00 2.50 -2.747558598e+00 2.52 -2.825487958e+00 2.54 -2.890340932e+00 2.56 -2.943153087e+00 2.58 -2.984958074e+00 2.60 -3.016776440e+00 2.62 -3.039583948e+00 2.64 -3.054293790e+00 2.66 -3.061754018e+00 2.68 -3.062727751e+00 2.70 -3.057881319e+00 2.72 -3.047783925e+00 2.74 -3.032917167e+00 2.76 -3.013787950e+00 2.78 -2.990757673e+00 2.80 -2.964003198e+00 2.82 -2.933703833e+00 2.84 -2.900042362e+00 2.86 -2.863205093e+00 2.88 -2.823382104e+00 2.90 -2.780768480e+00 2.92 -2.735568673e+00 2.94 -2.688007761e+00 2.96 -2.638329729e+00 2.98 -2.586799851e+00 3.00 -2.533709399e+00 3.02 -2.479376748e+00 3.04 -2.424143066e+00 3.06 -2.368361759e+00 3.08 -2.312382437e+00 3.10 -2.256532059e+00 3.12 -2.201097026e+00 3.14 -2.146310001e+00 3.16 -2.092343812e+00 3.18 -2.039312860e+00 3.20 -1.987280527e+00 3.22 -1.936270102e+00 3.24 -1.886276675e+00 3.26 -1.837278038e+00 3.28 -1.789243526e+00 3.30 -1.742140446e+00 3.32 -1.695938293e+00 3.34 -1.650611155e+00 3.36 -1.606138803e+00 3.38 -1.562506857e+00 3.40 -1.519706373e+00 3.42 -1.477733081e+00 3.44 -1.436586421e+00 3.46 -1.396268511e+00 3.48 -1.356783113e+00 3.50 -1.318134655e+00 3.52 -1.280327356e+00 3.54 -1.243364476e+00 3.56 -1.207247699e+00 3.58 -1.171976660e+00 3.60 -1.137548600e+00 3.62 -1.103958145e+00 3.64 -1.071197207e+00 3.66 -1.039254969e+00 3.68 -1.008117979e+00 3.70 -9.777703233e-01 3.72 -9.481938760e-01 3.74 -9.193686252e-01 3.76 -8.912730538e-01 3.78 -8.638845638e-01 3.80 -8.371799235e-01 3.82 -8.111357092e-01 3.84 -7.857287151e-01 3.86 -7.609363046e-01 3.88 -7.367366790e-01 3.90 -7.131090522e-01 3.92 -6.900337260e-01 3.94 -6.674920795e-01 3.96 -6.454664832e-01 3.98 -6.239401826e-01 4.00 -6.028971739e-01 4.02 -5.823221148e-01 4.04 -5.622003048e-01 4.06 -5.425177621e-01 4.08 -5.232614190e-01 4.10 -5.044194391e-01 4.12 -4.859816664e-01 4.14 -4.679401432e-01 4.16 -4.502897071e-01 4.18 -4.330285654e-01 4.20 -4.161587827e-01 4.22 -3.996865889e-01 4.24 -3.836224140e-01 4.26 -3.679805693e-01 4.28 -3.527785286e-01 4.30 -3.380358094e-01 4.32 -3.237725147e-01 4.34 -3.100076590e-01 4.36 -2.967574459e-01 4.38 -2.840336873e-01 4.40 -2.718425410e-01 4.42 -2.601836956e-01 4.44 -2.490500681e-01 4.46 -2.384280025e-01 4.48 -2.282978947e-01 4.50 -2.186351278e-01 4.52 -2.094111847e-01 4.54 -2.005948112e-01 4.56 -1.921531302e-01 4.58 -1.840526365e-01 4.60 -1.762600368e-01 4.62 -1.687429282e-01 4.64 -1.614703277e-01 4.66 -1.544130784e-01 4.68 -1.475441672e-01 4.70 -1.408389827e-01 4.72 -1.342755455e-01 4.74 -1.278347306e-01 4.76 -1.215004961e-01 4.78 -1.152601231e-01 4.80 -1.091044565e-01 4.82 -1.030281446e-01 4.84 -9.702981831e-02 4.86 -9.111222037e-02 4.88 -8.528221210e-02 4.90 -7.955063394e-02 4.92 -7.393198489e-02 4.94 -6.844390077e-02 4.96 -6.310642915e-02 4.98 -5.794112518e-02 5.00 -5.297001179e-02 5.02 -4.821447225e-02 5.04 -4.369415653e-02 5.06 -3.942598728e-02 5.08 -3.542321619e-02 5.10 -3.169480980e-02 5.12 -2.824579410e-02 5.14 -2.507670081e-02 5.16 -2.218375696e-02 5.18 -1.955932071e-02 5.20 -1.719244221e-02 5.22 -1.506928106e-02 5.24 -1.317451151e-02 5.26 -1.149161839e-02 5.28 -1.000336765e-02 5.30 -8.692366788e-03 5.32 -7.541519822e-03 5.34 -6.534377111e-03 5.36 -5.655387389e-03 5.38 -4.890063819e-03 5.40 -4.225077997e-03 5.42 -3.648296213e-03 5.44 -3.148771458e-03 5.46 -2.716703175e-03 5.48 -2.343374884e-03 5.50 -2.021077954e-03 5.52 -1.743027977e-03 5.54 -1.503278606e-03 5.56 -1.296636411e-03 5.58 -1.118579148e-03 5.60 -9.651790498e-04 5.62 -8.330320021e-04 5.64 -7.191930570e-04 5.66 -6.211183256e-04 5.68 -5.366130846e-04 5.70 -4.637857661e-04 5.72 -4.010074049e-04 5.74 -3.468760747e-04 5.76 -3.001858275e-04 5.78 -2.598996612e-04 5.80 -2.251260599e-04 5.82 -1.950986849e-04 5.84 -1.691588277e-04 5.86 -1.467402750e-04 5.88 -1.273562716e-04 5.90 -1.105883038e-04 5.92 -9.607645648e-05 5.94 -8.351112976e-05 5.96 -7.262592728e-05 5.98 -6.319155261e-05 6.00 -5.501057268e-05