# 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 = AuMg2 # 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 4.687944146e+02 1.16 4.325833166e+02 1.18 3.992997770e+02 1.20 3.686860168e+02 1.22 3.405074543e+02 1.24 3.145510544e+02 1.26 2.906250461e+02 1.28 2.685572523e+02 1.30 2.481920858e+02 1.32 2.293879272e+02 1.34 2.120158833e+02 1.36 1.959593116e+02 1.38 1.811129694e+02 1.40 1.673813261e+02 1.42 1.546766504e+02 1.44 1.429176353e+02 1.46 1.320287418e+02 1.48 1.219439200e+02 1.50 1.126168352e+02 1.52 1.039897877e+02 1.54 9.600809716e+01 1.56 8.862272793e+01 1.58 8.178876272e+01 1.60 7.546458801e+01 1.62 6.961150273e+01 1.64 6.419350973e+01 1.66 5.917718189e+01 1.68 5.453162007e+01 1.70 5.022847629e+01 1.72 4.624192570e+01 1.74 4.254850725e+01 1.76 3.912684375e+01 1.78 3.595732125e+01 1.80 3.302179882e+01 1.82 3.030339405e+01 1.84 2.778636377e+01 1.86 2.545605919e+01 1.88 2.329888680e+01 1.90 2.130224355e+01 1.92 1.945442721e+01 1.94 1.774453711e+01 1.96 1.616240060e+01 1.98 1.469853238e+01 2.00 1.334412786e+01 2.02 1.209106950e+01 2.04 1.093192179e+01 2.06 9.859894621e+00 2.08 8.868773852e+00 2.10 7.952841222e+00 2.12 7.106797532e+00 2.14 6.325705353e+00 2.16 5.604950172e+00 2.18 4.940213956e+00 2.20 4.327460199e+00 2.22 3.762920905e+00 2.24 3.243089200e+00 2.26 2.764714472e+00 2.28 2.324794577e+00 2.30 1.920569070e+00 2.32 1.549499410e+00 2.34 1.209248185e+00 2.36 8.976540029e-01 2.38 6.126200028e-01 2.40 3.522847579e-01 2.42 1.150050215e-01 2.44 -1.007872741e-01 2.46 -2.965879708e-01 2.48 -4.738213026e-01 2.50 -6.338414785e-01 2.52 -7.779364747e-01 2.54 -9.073283265e-01 2.56 -1.023178316e+00 2.58 -1.126598722e+00 2.60 -1.218650200e+00 2.62 -1.300332378e+00 2.64 -1.372572190e+00 2.66 -1.436211071e+00 2.68 -1.491999925e+00 2.70 -1.540600503e+00 2.72 -1.582593986e+00 2.74 -1.618493545e+00 2.76 -1.648757497e+00 2.78 -1.673800333e+00 2.80 -1.694002666e+00 2.82 -1.709715202e+00 2.84 -1.721264672e+00 2.86 -1.728956763e+00 2.88 -1.733079059e+00 2.90 -1.733903953e+00 2.92 -1.731691728e+00 2.94 -1.726693893e+00 2.96 -1.719168656e+00 2.98 -1.709402374e+00 3.00 -1.697594181e+00 3.02 -1.683943919e+00 3.04 -1.668660760e+00 3.06 -1.651958945e+00 3.08 -1.634048009e+00 3.10 -1.615126687e+00 3.12 -1.595372735e+00 3.14 -1.574892184e+00 3.16 -1.553727398e+00 3.18 -1.531916378e+00 3.20 -1.509494829e+00 3.22 -1.486497770e+00 3.24 -1.462961659e+00 3.26 -1.438926242e+00 3.28 -1.414435627e+00 3.30 -1.389538345e+00 3.32 -1.364286451e+00 3.34 -1.338733952e+00 3.36 -1.312934983e+00 3.38 -1.286942197e+00 3.40 -1.260805532e+00 3.42 -1.234572236e+00 3.44 -1.208286033e+00 3.46 -1.181988011e+00 3.48 -1.155716847e+00 3.50 -1.129509127e+00 3.52 -1.103399540e+00 3.54 -1.077420938e+00 3.56 -1.051604294e+00 3.58 -1.025978603e+00 3.60 -1.000570770e+00 3.62 -9.754055237e-01 3.64 -9.505053741e-01 3.66 -9.258906432e-01 3.68 -9.015795730e-01 3.70 -8.775885232e-01 3.72 -8.539322550e-01 3.74 -8.306242908e-01 3.76 -8.076773247e-01 3.78 -7.851036389e-01 3.80 -7.629154651e-01 3.82 -7.411252191e-01 3.84 -7.197455379e-01 3.86 -6.987890752e-01 3.88 -6.782680567e-01 3.90 -6.581936553e-01 3.92 -6.385750206e-01 3.94 -6.194198193e-01 3.96 -6.007319612e-01 3.98 -5.825127397e-01 4.00 -5.647605981e-01 4.02 -5.474714687e-01 4.04 -5.306392544e-01 4.06 -5.142563562e-01 4.08 -4.983141738e-01 4.10 -4.828031442e-01 4.12 -4.677146779e-01 4.14 -4.530388281e-01 4.16 -4.387662311e-01 4.18 -4.248876882e-01 4.20 -4.113941798e-01 4.22 -3.982768451e-01 4.24 -3.855269418e-01 4.26 -3.731357949e-01 4.28 -3.610947444e-01 4.30 -3.493950943e-01 4.32 -3.380280674e-01 4.34 -3.269847665e-01 4.36 -3.162561420e-01 4.38 -3.058329671e-01 4.40 -2.957058178e-01 4.42 -2.858650588e-01 4.44 -2.763008340e-01 4.46 -2.670030612e-01 4.48 -2.579614317e-01 4.50 -2.491654156e-01 4.52 -2.406042729e-01 4.54 -2.322670735e-01 4.56 -2.241427274e-01 4.58 -2.162200279e-01 4.60 -2.084877110e-01 4.62 -2.009345336e-01 4.64 -1.935493748e-01 4.66 -1.863213623e-01 4.68 -1.792400263e-01 4.70 -1.722954832e-01 4.72 -1.654786477e-01 4.74 -1.587814714e-01 4.76 -1.521972020e-01 4.78 -1.457206539e-01 4.80 -1.393479501e-01 4.82 -1.330789676e-01 4.84 -1.269140897e-01 4.86 -1.208567599e-01 4.88 -1.149128819e-01 4.90 -1.090907380e-01 4.92 -1.034007659e-01 4.94 -9.785518789e-02 4.96 -9.246749594e-02 4.98 -8.725181555e-02 5.00 -8.222218647e-02 5.02 -7.739181251e-02 5.04 -7.277234379e-02 5.06 -6.837324317e-02 5.08 -6.420127449e-02 5.10 -6.026020184e-02 5.12 -5.655066572e-02 5.14 -5.307024665e-02 5.16 -4.981369555e-02 5.18 -4.677329562e-02 5.20 -4.393870671e-02 5.22 -4.129794112e-02 5.24 -3.883942667e-02 5.26 -3.655085429e-02 5.28 -3.441963614e-02 5.30 -3.243333056e-02 5.32 -3.057998356e-02 5.34 -2.884838664e-02 5.36 -2.722825501e-02 5.38 -2.571033240e-02 5.40 -2.428643025e-02 5.42 -2.294940979e-02 5.44 -2.169311615e-02 5.46 -2.051227450e-02 5.48 -1.940235932e-02 5.50 -1.835944831e-02 5.52 -1.738007300e-02 5.54 -1.646107720e-02 5.56 -1.559949291e-02 5.58 -1.479244072e-02 5.60 -1.403705844e-02 5.62 -1.333045861e-02 5.64 -1.266971214e-02 5.66 -1.205185364e-02 5.68 -1.147390240e-02 5.70 -1.093289272e-02 5.72 -1.042590828e-02 5.74 -9.950115242e-03 5.76 -9.502770792e-03 5.78 -9.081281192e-03 5.80 -8.683220226e-03 5.82 -8.306324171e-03 5.84 -7.948496327e-03 5.86 -7.607806660e-03 5.88 -7.282487755e-03 5.90 -6.970928256e-03 5.92 -6.671664867e-03 5.94 -6.383373848e-03 5.96 -6.104862757e-03 5.98 -5.835063011e-03 6.00 -5.573023686e-03