# 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 = 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 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 2.636027865e+02 1.16 2.431644247e+02 1.18 2.244026088e+02 1.20 2.071656163e+02 1.22 1.913164000e+02 1.24 1.767302656e+02 1.26 1.632960651e+02 1.28 1.509160011e+02 1.30 1.395026817e+02 1.32 1.289760288e+02 1.34 1.192621287e+02 1.36 1.102937755e+02 1.38 1.020109667e+02 1.40 9.436007054e+01 1.42 8.729186042e+01 1.44 8.075921400e+01 1.46 7.471805785e+01 1.48 6.912816304e+01 1.50 6.395041972e+01 1.52 5.915056148e+01 1.54 5.469934908e+01 1.56 5.057148751e+01 1.58 4.674435403e+01 1.60 4.319703008e+01 1.62 3.990964272e+01 1.64 3.686296440e+01 1.66 3.403829550e+01 1.68 3.141771527e+01 1.70 2.898460531e+01 1.72 2.672408836e+01 1.74 2.462309102e+01 1.76 2.267005171e+01 1.78 2.085453990e+01 1.80 1.916699057e+01 1.82 1.759858494e+01 1.84 1.614119983e+01 1.86 1.478737049e+01 1.88 1.353021767e+01 1.90 1.236334024e+01 1.92 1.128068356e+01 1.94 1.027640772e+01 1.96 9.344803012e+00 1.98 8.480291733e+00 2.00 7.677530283e+00 2.02 6.931570176e+00 2.04 6.237998485e+00 2.06 5.592982801e+00 2.08 4.993204335e+00 2.10 4.435728415e+00 2.12 3.917870075e+00 2.14 3.437098835e+00 2.16 2.990991601e+00 2.18 2.577221539e+00 2.20 2.193571358e+00 2.22 1.837950777e+00 2.24 1.508414430e+00 2.26 1.203174347e+00 2.28 9.206029132e-01 2.30 6.592335087e-01 2.32 4.177466633e-01 2.34 1.949558372e-01 2.36 -1.021295433e-02 2.38 -1.987407974e-01 2.40 -3.718884504e-01 2.42 -5.311929379e-01 2.44 -6.771071564e-01 2.46 -8.100827835e-01 2.48 -9.306224630e-01 2.50 -1.039281750e+00 2.52 -1.136675537e+00 2.54 -1.223487372e+00 2.56 -1.300477500e+00 2.58 -1.368491880e+00 2.60 -1.428434621e+00 2.62 -1.481217219e+00 2.64 -1.527708805e+00 2.66 -1.568684858e+00 2.68 -1.604792345e+00 2.70 -1.636536348e+00 2.72 -1.664289383e+00 2.74 -1.688315854e+00 2.76 -1.708801975e+00 2.78 -1.725883064e+00 2.80 -1.739666188e+00 2.82 -1.750242256e+00 2.84 -1.757696265e+00 2.86 -1.762111859e+00 2.88 -1.763574643e+00 2.90 -1.762175404e+00 2.92 -1.758014642e+00 2.94 -1.751241796e+00 2.96 -1.741989292e+00 2.98 -1.730395497e+00 3.00 -1.716642731e+00 3.02 -1.700959503e+00 3.04 -1.683616738e+00 3.06 -1.664918769e+00 3.08 -1.645183633e+00 3.10 -1.624723417e+00 3.12 -1.603821454e+00 3.14 -1.582696619e+00 3.16 -1.561484165e+00 3.18 -1.540271634e+00 3.20 -1.519105573e+00 3.22 -1.498000457e+00 3.24 -1.476949318e+00 3.26 -1.455933824e+00 3.28 -1.434932329e+00 3.30 -1.413925290e+00 3.32 -1.392898074e+00 3.34 -1.371841699e+00 3.36 -1.350752263e+00 3.38 -1.329629841e+00 3.40 -1.308477303e+00 3.42 -1.287300088e+00 3.44 -1.266105049e+00 3.46 -1.244900902e+00 3.48 -1.223698040e+00 3.50 -1.202508449e+00 3.52 -1.181345529e+00 3.54 -1.160223804e+00 3.56 -1.139158565e+00 3.58 -1.118165478e+00 3.60 -1.097260209e+00 3.62 -1.076458085e+00 3.64 -1.055773818e+00 3.66 -1.035221317e+00 3.68 -1.014813575e+00 3.70 -9.945626631e-01 3.72 -9.744798160e-01 3.74 -9.545755996e-01 3.76 -9.348601530e-01 3.78 -9.153434604e-01 3.80 -8.960356070e-01 3.82 -8.769469573e-01 3.84 -8.580881958e-01 3.86 -8.394701884e-01 3.88 -8.211036614e-01 3.90 -8.029987410e-01 3.92 -7.851641931e-01 3.94 -7.676080091e-01 3.96 -7.503354571e-01 3.98 -7.333501560e-01 4.00 -7.166538830e-01 4.02 -7.002468572e-01 4.04 -6.841281121e-01 4.06 -6.682958802e-01 4.08 -6.527479320e-01 4.10 -6.374814175e-01 4.12 -6.224947683e-01 4.14 -6.077850253e-01 4.16 -5.933497895e-01 4.18 -5.791866607e-01 4.20 -5.652931645e-01 4.22 -5.516666620e-01 4.24 -5.383042539e-01 4.26 -5.252026879e-01 4.28 -5.123582709e-01 4.30 -4.997667904e-01 4.32 -4.874234442e-01 4.34 -4.753227782e-01 4.36 -4.634586296e-01 4.38 -4.518240760e-01 4.40 -4.404113870e-01 4.42 -4.292119788e-01 4.44 -4.182163698e-01 4.46 -4.074141401e-01 4.48 -3.967938936e-01 4.50 -3.863432271e-01 4.52 -3.760487101e-01 4.54 -3.658958794e-01 4.56 -3.558692562e-01 4.58 -3.459523929e-01 4.60 -3.361279596e-01 4.62 -3.263778803e-01 4.64 -3.166835310e-01 4.66 -3.070260101e-01 4.68 -2.973864944e-01 4.70 -2.877466886e-01 4.72 -2.780893751e-01 4.74 -2.683990663e-01 4.76 -2.586627503e-01 4.78 -2.488707163e-01 4.80 -2.390169195e-01 4.82 -2.291019696e-01 4.84 -2.191306305e-01 4.86 -2.091148260e-01 4.88 -1.990734913e-01 4.90 -1.890327330e-01 4.92 -1.790256056e-01 4.94 -1.690914522e-01 4.96 -1.592747909e-01 4.98 -1.496237768e-01 5.00 -1.401883224e-01 5.02 -1.310180039e-01 5.04 -1.221599183e-01 5.06 -1.136566672e-01 5.08 -1.055446333e-01 5.10 -9.785268184e-02 5.12 -9.060136663e-02 5.14 -8.380266604e-02 5.16 -7.746021426e-02 5.18 -7.156995174e-02 5.20 -6.612109712e-02 5.22 -6.109730697e-02 5.24 -5.647790402e-02 5.26 -5.223915191e-02 5.28 -4.835541876e-02 5.30 -4.480020754e-02 5.32 -4.154686702e-02 5.34 -3.856799287e-02 5.36 -3.583964649e-02 5.38 -3.333974808e-02 5.40 -3.104766172e-02 5.42 -2.894442796e-02 5.44 -2.701285327e-02 5.46 -2.523748961e-02 5.48 -2.360453395e-02 5.50 -2.210167513e-02 5.52 -2.071791181e-02 5.54 -1.944336198e-02 5.56 -1.826908055e-02 5.58 -1.718689699e-02 5.60 -1.618928023e-02 5.62 -1.526923382e-02 5.64 -1.442022033e-02 5.66 -1.363611119e-02 5.68 -1.291115665e-02 5.70 -1.223996969e-02 5.72 -1.161751842e-02 5.74 -1.103912165e-02 5.76 -1.050042045e-02 5.78 -9.997412432e-03 5.80 -9.526444293e-03 5.82 -9.084181240e-03 5.84 -8.667591430e-03 5.86 -8.273928057e-03 5.88 -7.900710001e-03 5.90 -7.545701949e-03 5.92 -7.206894851e-03 5.94 -6.882487411e-03 5.96 -6.570869195e-03 5.98 -6.270605756e-03 6.00 -5.980426051e-03