# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Kim-Y-M-Kim-N-J-Lee-B-J--Mg-Al # implementation = 2009--Kim-Y-M--Mg-Al--LAMMPS--ipr1 # composition = AlMg2 # 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 1.185416062e+02 0.92 1.131505579e+02 0.94 1.079718742e+02 0.96 1.029982874e+02 0.98 9.822275295e+01 1.00 9.363843853e+01 1.02 8.923871470e+01 1.04 8.501714692e+01 1.06 8.096748858e+01 1.08 7.708367492e+01 1.10 7.335981770e+01 1.12 6.979020039e+01 1.14 6.636927386e+01 1.16 6.309165237e+01 1.18 5.995210996e+01 1.20 5.694557689e+01 1.22 5.406713639e+01 1.24 5.131202144e+01 1.26 4.867561167e+01 1.28 4.615343032e+01 1.30 4.374114123e+01 1.32 4.143454584e+01 1.34 3.922958030e+01 1.36 3.712231241e+01 1.38 3.510893875e+01 1.40 3.318578172e+01 1.42 3.134928654e+01 1.44 2.959601838e+01 1.46 2.792265936e+01 1.48 2.632600565e+01 1.50 2.480296454e+01 1.52 2.335055151e+01 1.54 2.196588739e+01 1.56 2.064619541e+01 1.58 1.938879842e+01 1.60 1.819111606e+01 1.62 1.705066191e+01 1.64 1.596504084e+01 1.66 1.493194621e+01 1.68 1.394915721e+01 1.70 1.301453626e+01 1.72 1.212602639e+01 1.74 1.128164872e+01 1.76 1.047949993e+01 1.78 9.717749860e+00 1.80 8.994639094e+00 1.82 8.308476624e+00 1.84 7.657637562e+00 1.86 7.040560914e+00 1.88 6.455747392e+00 1.90 5.901757298e+00 1.92 5.377208445e+00 1.94 4.880774150e+00 1.96 4.411181268e+00 1.98 3.967208289e+00 2.00 3.547683477e+00 2.02 3.151483079e+00 2.04 2.777529572e+00 2.06 2.424789966e+00 2.08 2.092274165e+00 2.10 1.779033368e+00 2.12 1.484158524e+00 2.14 1.206778841e+00 2.16 9.460603310e-01 2.18 7.012044147e-01 2.20 4.714465616e-01 2.22 2.560549799e-01 2.24 5.432935068e-02 2.26 -1.344003981e-01 2.28 -3.107752743e-01 2.30 -4.754083628e-01 2.32 -6.288859299e-01 2.34 -7.717684863e-01 2.36 -9.045918137e-01 2.38 -1.027867956e+00 2.40 -1.142086175e+00 2.42 -1.247713867e+00 2.44 -1.345197456e+00 2.46 -1.434963944e+00 2.48 -1.517470385e+00 2.50 -1.593162095e+00 2.52 -1.662139244e+00 2.54 -1.724918576e+00 2.56 -1.781837555e+00 2.58 -1.833218024e+00 2.60 -1.879366866e+00 2.62 -1.920576632e+00 2.64 -1.957126146e+00 2.66 -1.989281086e+00 2.68 -2.017294546e+00 2.70 -2.041407575e+00 2.72 -2.061849689e+00 2.74 -2.078839373e+00 2.76 -2.092584556e+00 2.78 -2.103283068e+00 2.80 -2.111123081e+00 2.82 -2.116283532e+00 2.84 -2.118934527e+00 2.86 -2.119237731e+00 2.88 -2.117346741e+00 2.90 -2.113407443e+00 2.92 -2.107558360e+00 2.94 -2.099930975e+00 2.96 -2.090650053e+00 2.98 -2.079833939e+00 3.00 -2.067594853e+00 3.02 -2.054039218e+00 3.04 -2.039268521e+00 3.06 -2.023378618e+00 3.08 -2.006456928e+00 3.10 -1.988590754e+00 3.12 -1.969861048e+00 3.14 -1.950344316e+00 3.16 -1.930112862e+00 3.18 -1.909234987e+00 3.20 -1.887775178e+00 3.22 -1.865794287e+00 3.24 -1.843349706e+00 3.26 -1.820495529e+00 3.28 -1.797282716e+00 3.30 -1.773759236e+00 3.32 -1.749970221e+00 3.34 -1.725958098e+00 3.36 -1.701762723e+00 3.38 -1.677421507e+00 3.40 -1.652969539e+00 3.42 -1.628439698e+00 3.44 -1.603862768e+00 3.46 -1.579267537e+00 3.48 -1.554680904e+00 3.50 -1.530127970e+00 3.52 -1.505632135e+00 3.54 -1.481215179e+00 3.56 -1.456897353e+00 3.58 -1.432697451e+00 3.60 -1.408632893e+00 3.62 -1.384719793e+00 3.64 -1.360973030e+00 3.66 -1.337406315e+00 3.68 -1.314032252e+00 3.70 -1.290862398e+00 3.72 -1.267907322e+00 3.74 -1.245176657e+00 3.76 -1.222679156e+00 3.78 -1.200422736e+00 3.80 -1.178414528e+00 3.82 -1.156660924e+00 3.84 -1.135167613e+00 3.86 -1.113939629e+00 3.88 -1.092981386e+00 3.90 -1.072296714e+00 3.92 -1.051888895e+00 3.94 -1.031760697e+00 3.96 -1.011914404e+00 3.98 -9.923518469e-01 4.00 -9.730744312e-01 4.02 -9.540831651e-01 4.04 -9.353786846e-01 4.06 -9.169612776e-01 4.08 -8.988309074e-01 4.10 -8.809872345e-01 4.12 -8.634296373e-01 4.14 -8.461572320e-01 4.16 -8.291688912e-01 4.18 -8.124632615e-01 4.20 -7.960387802e-01 4.22 -7.798936914e-01 4.24 -7.640260607e-01 4.26 -7.482247322e-01 4.28 -7.281046366e-01 4.30 -6.866122137e-01 4.32 -5.831095985e-01 4.34 -5.446955127e-01 4.36 -5.336463065e-01 4.38 -5.227884459e-01 4.40 -5.121201100e-01 4.42 -5.016394063e-01 4.44 -4.913443769e-01 4.46 -4.812330053e-01 4.48 -4.713032220e-01 4.50 -4.615529102e-01 4.52 -4.519799112e-01 4.54 -4.425820296e-01 4.56 -4.333570376e-01 4.58 -4.243026797e-01 4.60 -4.154166770e-01 4.62 -4.066967311e-01 4.64 -3.981405274e-01 4.66 -3.897457394e-01 4.68 -3.815100311e-01 4.70 -3.734310608e-01 4.72 -3.655064834e-01 4.74 -3.577339535e-01 4.76 -3.501111276e-01 4.78 -3.426356666e-01 4.80 -3.353052380e-01 4.82 -3.281175179e-01 4.84 -3.210701927e-01 4.86 -3.141609612e-01 4.88 -3.073875360e-01 4.90 -3.007476449e-01 4.92 -2.940994446e-01 4.94 -2.854925245e-01 4.96 -2.646287088e-01 4.98 -1.843233272e-01 5.00 -4.209855652e-22 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 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