# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Ackland-G-J-Vitek-V--Cu-Ag-Au # implementation = 1990--Ackland-G-J--Cu-Ag-Au--LAMMPS--ipr1 # composition = Ag2Au # 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 2023-05-12 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 3.882064673e+02 0.82 3.574140771e+02 0.84 3.296051215e+02 0.86 3.043104793e+02 0.88 2.811982900e+02 0.90 2.600891762e+02 0.92 2.408296484e+02 0.94 2.232233221e+02 0.96 2.071087310e+02 0.98 1.923814376e+02 1.00 1.789230734e+02 1.02 1.665693588e+02 1.04 1.551268048e+02 1.06 1.444539388e+02 1.08 1.344717541e+02 1.10 1.252080275e+02 1.12 1.166485363e+02 1.14 1.087253660e+02 1.16 1.013647163e+02 1.18 9.449830784e+01 1.20 8.808876482e+01 1.22 8.209157530e+01 1.24 7.648003581e+01 1.26 7.121825990e+01 1.28 6.628223767e+01 1.30 6.167529663e+01 1.32 5.738067430e+01 1.34 5.336591393e+01 1.36 4.961876744e+01 1.38 4.613080857e+01 1.40 4.287739857e+01 1.42 3.984022475e+01 1.44 3.701252632e+01 1.46 3.438804978e+01 1.48 3.195309076e+01 1.50 2.969130995e+01 1.52 2.758642778e+01 1.54 2.562240470e+01 1.56 2.378548357e+01 1.58 2.206397467e+01 1.60 2.044630559e+01 1.62 1.892050979e+01 1.64 1.748208718e+01 1.66 1.613885259e+01 1.68 1.489862913e+01 1.70 1.375626650e+01 1.72 1.269816898e+01 1.74 1.171062569e+01 1.76 1.077998080e+01 1.78 9.893178267e+00 1.80 9.046044109e+00 1.82 8.241871582e+00 1.84 7.485177420e+00 1.86 6.776315163e+00 1.88 6.111542047e+00 1.90 5.486945482e+00 1.92 4.898632605e+00 1.94 4.342733491e+00 1.96 3.815827594e+00 1.98 3.315817601e+00 2.00 2.841674383e+00 2.02 2.394236590e+00 2.04 1.974659022e+00 2.06 1.583682938e+00 2.08 1.219947942e+00 2.10 8.814481571e-01 2.12 5.662026241e-01 2.14 2.722438105e-01 2.16 -2.443581390e-03 2.18 -2.598627729e-01 2.20 -5.012749536e-01 2.22 -7.275393697e-01 2.24 -9.395060839e-01 2.26 -1.138020956e+00 2.28 -1.323925391e+00 2.30 -1.497937328e+00 2.32 -1.659878317e+00 2.34 -1.809155661e+00 2.36 -1.945171891e+00 2.38 -2.067645624e+00 2.40 -2.177283286e+00 2.42 -2.274741986e+00 2.44 -2.360941194e+00 2.46 -2.436795788e+00 2.48 -2.503212883e+00 2.50 -2.561091200e+00 2.52 -2.611294279e+00 2.54 -2.654439103e+00 2.56 -2.691042804e+00 2.58 -2.721621922e+00 2.60 -2.746692437e+00 2.62 -2.766769697e+00 2.64 -2.782368321e+00 2.66 -2.794002113e+00 2.68 -2.802183944e+00 2.70 -2.807425634e+00 2.72 -2.810237821e+00 2.74 -2.811129802e+00 2.76 -2.810609363e+00 2.78 -2.809182588e+00 2.80 -2.807343629e+00 2.82 -2.804942125e+00 2.84 -2.800601119e+00 2.86 -2.792785694e+00 2.88 -2.779961717e+00 2.90 -2.760715139e+00 2.92 -2.734864321e+00 2.94 -2.703054304e+00 2.96 -2.665952328e+00 2.98 -2.624226130e+00 3.00 -2.578543803e+00 3.02 -2.529573625e+00 3.04 -2.477983836e+00 3.06 -2.424442351e+00 3.08 -2.369555415e+00 3.10 -2.313617802e+00 3.12 -2.256807684e+00 3.14 -2.199301733e+00 3.16 -2.141275153e+00 3.18 -2.082901024e+00 3.20 -2.024349541e+00 3.22 -1.965787127e+00 3.24 -1.907375443e+00 3.26 -1.849270278e+00 3.28 -1.791620340e+00 3.30 -1.734565952e+00 3.32 -1.678237693e+00 3.34 -1.622754997e+00 3.36 -1.568224754e+00 3.38 -1.514739951e+00 3.40 -1.462378395e+00 3.42 -1.411201528e+00 3.44 -1.361253390e+00 3.46 -1.312559682e+00 3.48 -1.265123964e+00 3.50 -1.218866300e+00 3.52 -1.173624697e+00 3.54 -1.129214291e+00 3.56 -1.085517747e+00 3.58 -1.042562320e+00 3.60 -1.000395221e+00 3.62 -9.590651675e-01 3.64 -9.186223096e-01 3.66 -8.791183701e-01 3.68 -8.406066329e-01 3.70 -8.031418739e-01 3.72 -7.667802348e-01 3.74 -7.315789542e-01 3.76 -6.975959569e-01 3.78 -6.648894223e-01 3.80 -6.335175597e-01 3.82 -6.035361162e-01 3.84 -5.749974592e-01 3.86 -5.479531483e-01 3.88 -5.224413154e-01 3.90 -4.985026847e-01 3.92 -4.761502427e-01 3.94 -4.554107693e-01 3.96 -4.362551280e-01 3.98 -4.186160076e-01 4.00 -4.023048151e-01 4.02 -3.867449286e-01 4.04 -3.718482446e-01 4.06 -3.577184014e-01 4.08 -3.443024666e-01 4.10 -3.316339583e-01 4.12 -3.192180537e-01 4.14 -3.061005951e-01 4.16 -2.915190047e-01 4.18 -2.754574139e-01 4.20 -2.581510535e-01 4.22 -2.399422642e-01 4.24 -2.209560652e-01 4.26 -2.011331821e-01 4.28 -1.805719452e-01 4.30 -1.594843919e-01 4.32 -1.381216956e-01 4.34 -1.171023501e-01 4.36 -9.722615091e-02 4.38 -7.898831352e-02 4.40 -6.265720404e-02 4.42 -4.834087503e-02 4.44 -3.603887729e-02 4.46 -2.568301584e-02 4.48 -1.716945383e-02 4.50 -1.038493418e-02 4.52 -5.232889998e-03 4.54 -1.677499800e-03 4.56 -2.848074498e-08 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 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