# 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 = AuMo2 # 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 4.098114861e+02 1.16 3.780973877e+02 1.18 3.489877938e+02 1.20 3.222667517e+02 1.22 2.977217125e+02 1.24 2.751464092e+02 1.26 2.543487998e+02 1.28 2.351567809e+02 1.30 2.174191756e+02 1.32 2.010040131e+02 1.34 1.857967000e+02 1.36 1.716986592e+02 1.38 1.586252401e+02 1.40 1.465020475e+02 1.42 1.352607077e+02 1.44 1.248359616e+02 1.46 1.151649201e+02 1.48 1.061879016e+02 1.50 9.784974842e+01 1.52 9.010069770e+01 1.54 8.289636479e+01 1.56 7.619694716e+01 1.58 6.996609103e+01 1.60 6.416985506e+01 1.62 5.877599326e+01 1.64 5.375359558e+01 1.66 4.907313188e+01 1.68 4.471184197e+01 1.70 4.064847906e+01 1.72 3.687526115e+01 1.74 3.337506984e+01 1.76 3.012999738e+01 1.78 2.712504996e+01 1.80 2.434736163e+01 1.82 2.178525295e+01 1.84 1.942740991e+01 1.86 1.726237294e+01 1.88 1.527836825e+01 1.90 1.346339120e+01 1.92 1.180541080e+01 1.94 1.029258985e+01 1.96 8.913464767e+00 1.98 7.657069912e+00 2.00 6.513010210e+00 2.02 5.471487063e+00 2.04 4.523281577e+00 2.06 3.659707954e+00 2.08 2.872566300e+00 2.10 2.154130961e+00 2.12 1.497195649e+00 2.14 8.951667122e-01 2.16 3.421693741e-01 2.18 -1.668762863e-01 2.20 -6.362401824e-01 2.22 -1.069434685e+00 2.24 -1.469319833e+00 2.26 -1.838235388e+00 2.28 -2.178134126e+00 2.30 -2.490698153e+00 2.32 -2.777429277e+00 2.34 -3.039712144e+00 2.36 -3.278789407e+00 2.38 -3.495564102e+00 2.40 -3.691557007e+00 2.42 -3.868283830e+00 2.44 -4.027126013e+00 2.46 -4.169343105e+00 2.48 -4.296081306e+00 2.50 -4.408381368e+00 2.52 -4.507120288e+00 2.54 -4.592596500e+00 2.56 -4.664917322e+00 2.58 -4.724259050e+00 2.60 -4.770854266e+00 2.62 -4.804976959e+00 2.64 -4.826926509e+00 2.66 -4.837012492e+00 2.68 -4.835543699e+00 2.70 -4.822823917e+00 2.72 -4.799154801e+00 2.74 -4.764880120e+00 2.76 -4.720379694e+00 2.78 -4.665928324e+00 2.80 -4.601851471e+00 2.82 -4.528543020e+00 2.84 -4.446476824e+00 2.86 -4.356219550e+00 2.88 -4.258443327e+00 2.90 -4.153935575e+00 2.92 -4.043599597e+00 2.94 -3.928443437e+00 2.96 -3.809568278e+00 2.98 -3.688137641e+00 3.00 -3.565333266e+00 3.02 -3.442303504e+00 3.04 -3.320110094e+00 3.06 -3.199679822e+00 3.08 -3.081766944e+00 3.10 -2.966930463e+00 3.12 -2.855527957e+00 3.14 -2.747725189e+00 3.16 -2.643518653e+00 3.18 -2.542767046e+00 3.20 -2.445227290e+00 3.22 -2.350591275e+00 3.24 -2.258520433e+00 3.26 -2.168676371e+00 3.28 -2.080746697e+00 3.30 -1.994465833e+00 3.32 -1.909630822e+00 3.34 -1.826112235e+00 3.36 -1.743860131e+00 3.38 -1.662904969e+00 3.40 -1.583353370e+00 3.42 -1.505378833e+00 3.44 -1.429207859e+00 3.46 -1.355102431e+00 3.48 -1.283340238e+00 3.50 -1.214194379e+00 3.52 -1.147914416e+00 3.54 -1.084710424e+00 3.56 -1.024741292e+00 3.58 -9.681079133e-01 3.60 -9.148512867e-01 3.62 -8.649549628e-01 3.64 -8.183509168e-01 3.66 -7.749277166e-01 3.68 -7.345398681e-01 3.70 -6.970173578e-01 3.72 -6.621746408e-01 3.74 -6.298185673e-01 3.76 -5.997549784e-01 3.78 -5.717938890e-01 3.80 -5.457533141e-01 3.82 -5.214618836e-01 3.84 -4.987604337e-01 3.86 -4.775027768e-01 3.88 -4.575558435e-01 3.90 -4.387993681e-01 3.92 -4.211252611e-01 3.94 -4.044367878e-01 3.96 -3.886476399e-01 3.98 -3.736809691e-01 4.00 -3.594684255e-01 4.02 -3.459492387e-01 4.04 -3.330693563e-01 4.06 -3.207805059e-01 4.08 -3.090395917e-01 4.10 -2.978085097e-01 4.12 -2.870530140e-01 4.14 -2.767422413e-01 4.16 -2.668483100e-01 4.18 -2.573459461e-01 4.20 -2.482121488e-01 4.22 -2.394258937e-01 4.24 -2.309678692e-01 4.26 -2.228202456e-01 4.28 -2.149664719e-01 4.30 -2.073910964e-01 4.32 -2.000796107e-01 4.34 -1.930183109e-01 4.36 -1.861941770e-01 4.38 -1.795947651e-01 4.40 -1.732081142e-01 4.42 -1.670226629e-01 4.44 -1.610271780e-01 4.46 -1.552106926e-01 4.48 -1.495624537e-01 4.50 -1.440718813e-01 4.52 -1.387285370e-01 4.54 -1.335221059e-01 4.56 -1.284423910e-01 4.58 -1.234793245e-01 4.60 -1.186229964e-01 4.62 -1.138637048e-01 4.64 -1.091920292e-01 4.66 -1.045989319e-01 4.68 -1.000758873e-01 4.70 -9.561504342e-02 4.72 -9.120941328e-02 4.74 -8.685309537e-02 4.76 -8.254151742e-02 4.78 -7.827169388e-02 4.80 -7.404248276e-02 4.82 -6.985482687e-02 4.84 -6.571194434e-02 4.86 -6.161946040e-02 4.88 -5.758543793e-02 4.90 -5.362028191e-02 4.92 -4.973650465e-02 4.94 -4.594834108e-02 4.96 -4.227122258e-02 4.98 -3.872111982e-02 5.00 -3.531381941e-02 5.02 -3.206417308e-02 5.04 -2.898537647e-02 5.06 -2.608834110e-02 5.08 -2.338121003e-02 5.10 -2.086874125e-02 5.12 -1.855267221e-02 5.14 -1.643206178e-02 5.16 -1.450299014e-02 5.18 -1.275894150e-02 5.20 -1.119126970e-02 5.22 -9.789700906e-03 5.24 -8.542833484e-03 5.26 -7.438604329e-03 5.28 -6.464699980e-03 5.30 -5.608900593e-03 5.32 -4.859352671e-03 5.34 -4.204772635e-03 5.36 -3.634587498e-03 5.38 -3.139021292e-03 5.40 -2.709136884e-03 5.42 -2.336842723e-03 5.44 -2.014873328e-03 5.46 -1.736751176e-03 5.48 -1.496736359e-03 5.50 -1.289769127e-03 5.52 -1.111409233e-03 5.54 -9.577749825e-04 5.56 -8.254840409e-04 5.58 -7.115973698e-04 5.60 -6.135671253e-04 5.62 -5.291889575e-04 5.64 -4.565588576e-04 5.66 -3.940344937e-04 5.68 -3.402008429e-04 5.70 -2.938398416e-04 5.72 -2.539037286e-04 5.74 -2.194917393e-04 5.76 -1.898298049e-04 5.78 -1.642529258e-04 5.80 -1.421899076e-04 5.82 -1.231501719e-04 5.84 -1.067123799e-04 5.86 -9.251463559e-05 5.88 -8.024605854e-05 5.90 -6.963954291e-05 5.92 -6.046553991e-05 5.94 -5.252672279e-05 5.96 -4.565341107e-05 5.98 -3.969964736e-05 6.00 -3.453983438e-05