# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = LiRb2 # 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 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 1.279839983e+03 1.14 1.197740160e+03 1.16 1.121643715e+03 1.18 1.051035205e+03 1.20 9.854592211e+02 1.22 9.245016729e+02 1.24 8.677810755e+02 1.26 8.149553325e+02 1.28 7.657146572e+02 1.30 7.197784460e+02 1.32 6.768930809e+02 1.34 6.368264763e+02 1.36 5.993657810e+02 1.38 5.643222877e+02 1.40 5.315195624e+02 1.42 5.007972754e+02 1.44 4.720090122e+02 1.46 4.450207213e+02 1.48 4.197066808e+02 1.50 3.959517770e+02 1.52 3.736468034e+02 1.54 3.526961358e+02 1.56 3.330081734e+02 1.58 3.144999333e+02 1.60 2.970921105e+02 1.62 2.807116486e+02 1.64 2.652890080e+02 1.66 2.507634677e+02 1.68 2.370762548e+02 1.70 2.241731124e+02 1.72 2.120031288e+02 1.74 2.005211344e+02 1.76 1.896836222e+02 1.78 1.794491212e+02 1.80 1.697822307e+02 1.82 1.606487440e+02 1.84 1.520166051e+02 1.86 1.438562233e+02 1.88 1.361403953e+02 1.90 1.288438474e+02 1.92 1.219425846e+02 1.94 1.154145247e+02 1.96 1.092392998e+02 1.98 1.033963332e+02 2.00 9.786919024e+01 2.02 9.263990898e+01 2.04 8.769256013e+01 2.06 8.301174811e+01 2.08 7.858265301e+01 2.10 7.439123690e+01 2.12 7.042393514e+01 2.14 6.666790798e+01 2.16 6.311158738e+01 2.18 5.974409287e+01 2.20 5.655464168e+01 2.22 5.353308973e+01 2.24 5.066933408e+01 2.26 4.795455346e+01 2.28 4.538118692e+01 2.30 4.294135332e+01 2.32 4.062766112e+01 2.34 3.843322712e+01 2.36 3.635164016e+01 2.38 3.437692474e+01 2.40 3.250350546e+01 2.42 3.072617253e+01 2.44 2.904004895e+01 2.46 2.744055946e+01 2.48 2.592340183e+01 2.50 2.448452027e+01 2.52 2.312008139e+01 2.54 2.182645245e+01 2.56 2.060018212e+01 2.58 1.943798351e+01 2.60 1.833641461e+01 2.62 1.729263406e+01 2.64 1.630398292e+01 2.66 1.536767234e+01 2.68 1.448063159e+01 2.70 1.364096169e+01 2.72 1.284616300e+01 2.74 1.209384814e+01 2.76 1.138173695e+01 2.78 1.070765258e+01 2.80 1.006951834e+01 2.82 9.465355245e+00 2.84 8.893191315e+00 2.86 8.350933849e+00 2.88 7.837424180e+00 2.90 7.351019248e+00 2.92 6.890172316e+00 2.94 6.453429686e+00 2.96 6.039427339e+00 2.98 5.646887492e+00 3.00 5.274615048e+00 3.02 4.921493930e+00 3.04 4.586483311e+00 3.06 4.268613731e+00 3.08 3.966983116e+00 3.10 3.680752717e+00 3.12 3.409142982e+00 3.14 3.151429399e+00 3.16 2.906938326e+00 3.18 2.674991407e+00 3.20 2.455005900e+00 3.22 2.246514702e+00 3.24 2.049000732e+00 3.26 1.861979312e+00 3.28 1.684994510e+00 3.30 1.517615728e+00 3.32 1.359434565e+00 3.34 1.210061970e+00 3.36 1.069125696e+00 3.38 9.362680652e-01 3.40 8.111440386e-01 3.42 6.934195893e-01 3.44 5.827703668e-01 3.46 4.788806360e-01 3.48 3.814424743e-01 3.50 2.899477024e-01 3.52 2.040718086e-01 3.54 1.238697544e-01 3.56 4.904203085e-02 3.58 -2.070103568e-02 3.60 -8.563943753e-02 3.62 -1.460435332e-01 3.64 -2.021740108e-01 3.66 -2.542817884e-01 3.68 -3.027285295e-01 3.70 -3.476107308e-01 3.72 -3.892433130e-01 3.74 -4.277396255e-01 3.76 -4.632759698e-01 3.78 -4.960487812e-01 3.80 -5.262427068e-01 3.82 -5.540307818e-01 3.84 -5.795746532e-01 3.86 -6.030248520e-01 3.88 -6.245211159e-01 3.90 -6.441927601e-01 3.92 -6.621590930e-01 3.94 -6.785298744e-01 3.96 -6.934058078e-01 3.98 -7.068790636e-01 4.00 -7.190338233e-01 4.02 -7.299468394e-01 4.04 -7.396880019e-01 4.06 -7.483209046e-01 4.08 -7.559034040e-01 4.10 -7.624881638e-01 4.12 -7.681231790e-01 4.14 -7.728522755e-01 4.16 -7.767155790e-01 4.18 -7.797499522e-01 4.20 -7.819893960e-01 4.22 -7.834654148e-01 4.24 -7.842073447e-01 4.26 -7.842426454e-01 4.28 -7.835971568e-01 4.30 -7.822953214e-01 4.32 -7.803603766e-01 4.34 -7.778145174e-01 4.36 -7.746790339e-01 4.38 -7.709744259e-01 4.40 -7.667204989e-01 4.42 -7.619364423e-01 4.44 -7.566408959e-01 4.46 -7.508520045e-01 4.48 -7.445874651e-01 4.50 -7.379905041e-01 4.52 -7.309714927e-01 4.54 -7.234977804e-01 4.56 -7.155904700e-01 4.58 -7.072697363e-01 4.60 -6.985549314e-01 4.62 -6.894646877e-01 4.64 -6.800170162e-01 4.66 -6.702294022e-01 4.68 -6.601188956e-01 4.70 -6.497021976e-01 4.72 -6.389957411e-01 4.74 -6.280157664e-01 4.76 -6.167783907e-01 4.78 -6.052996709e-01 4.80 -5.935956601e-01 4.82 -5.816824567e-01 4.84 -5.695762464e-01 4.86 -5.572933367e-01 4.88 -5.448501830e-01 4.90 -5.322634084e-01 4.92 -5.195498136e-01 4.94 -5.067263808e-01 4.96 -4.938102691e-01 4.98 -4.808188023e-01 5.00 -4.677694499e-01 5.02 -4.546798007e-01 5.04 -4.415675310e-01 5.06 -4.284503652e-01 5.08 -4.153460326e-01 5.10 -4.022722182e-01 5.12 -3.892465101e-01 5.14 -3.762863431e-01 5.16 -3.634089396e-01 5.18 -3.506312484e-01 5.20 -3.379698826e-01 5.22 -3.254410570e-01 5.24 -3.130605252e-01 5.26 -3.008435190e-01 5.28 -2.888046884e-01 5.30 -2.769580446e-01 5.32 -2.653169065e-01 5.34 -2.538938501e-01 5.36 -2.427006628e-01 5.38 -2.317483025e-01 5.40 -2.210468610e-01 5.42 -2.106055342e-01 5.44 -2.004325971e-01 5.46 -1.905353847e-01 5.48 -1.809202796e-01 5.50 -1.715927054e-01 5.52 -1.625571254e-01 5.54 -1.538170487e-01 5.56 -1.453750408e-01 5.58 -1.372327403e-01 5.60 -1.293908808e-01 5.62 -1.218493173e-01 5.64 -1.146070581e-01 5.66 -1.076622997e-01 5.68 -1.010124663e-01 5.70 -9.465425150e-02 5.72 -8.858366414e-02 5.74 -8.279607504e-02 5.76 -7.728626637e-02 5.78 -7.204848196e-02 5.80 -6.707647859e-02 5.82 -6.236357758e-02 5.84 -5.790271641e-02 5.86 -5.368649979e-02 5.88 -4.970725000e-02 5.90 -4.595705602e-02 5.92 -4.242782116e-02 5.94 -3.911130892e-02 5.96 -3.599918693e-02 5.98 -3.308306855e-02 6.00 -3.035455219e-02