# 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 = AuNi2 # 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 2.143522946e+02 1.16 1.968651448e+02 1.18 1.808234412e+02 1.20 1.660983485e+02 1.22 1.525722578e+02 1.24 1.401367722e+02 1.26 1.286932778e+02 1.28 1.181537759e+02 1.30 1.084402246e+02 1.32 9.948343072e+01 1.34 9.122209867e+01 1.36 8.360120834e+01 1.38 7.657010756e+01 1.40 7.008143020e+01 1.42 6.409085716e+01 1.44 5.855719556e+01 1.46 5.344260397e+01 1.48 4.871299901e+01 1.50 4.433834413e+01 1.52 4.029865128e+01 1.54 3.658538797e+01 1.56 3.317368092e+01 1.58 3.003861721e+01 1.60 2.715643062e+01 1.62 2.450511621e+01 1.64 2.206490758e+01 1.66 1.981830193e+01 1.68 1.774971092e+01 1.70 1.584503565e+01 1.72 1.409137065e+01 1.74 1.247688635e+01 1.76 1.099085736e+01 1.78 9.623718672e+00 1.80 8.366988365e+00 1.82 7.213015456e+00 1.84 6.154684528e+00 1.86 5.185221333e+00 1.88 4.298121131e+00 1.90 3.487138792e+00 1.92 2.746292558e+00 1.94 2.069876664e+00 1.96 1.452496346e+00 1.98 8.891274798e-01 2.00 3.751819636e-01 2.02 -9.344980957e-02 2.04 -5.203990858e-01 2.06 -9.088614642e-01 2.08 -1.261665554e+00 2.10 -1.581346364e+00 2.12 -1.870209315e+00 2.14 -2.130381627e+00 2.16 -2.363854430e+00 2.18 -2.572518781e+00 2.20 -2.758194526e+00 2.22 -2.922646958e+00 2.24 -3.067586217e+00 2.26 -3.194649866e+00 2.28 -3.305378018e+00 2.30 -3.401194861e+00 2.32 -3.483400830e+00 2.34 -3.553195202e+00 2.36 -3.611691058e+00 2.38 -3.659920218e+00 2.40 -3.698893678e+00 2.42 -3.729501248e+00 2.44 -3.752234832e+00 2.46 -3.767201375e+00 2.48 -3.774497966e+00 2.50 -3.774288871e+00 2.52 -3.766798288e+00 2.54 -3.752306811e+00 2.56 -3.731142411e+00 2.58 -3.703678709e+00 2.60 -3.670336367e+00 2.62 -3.631572343e+00 2.64 -3.587866944e+00 2.66 -3.539712826e+00 2.68 -3.487609493e+00 2.70 -3.432063891e+00 2.72 -3.373593406e+00 2.74 -3.312724676e+00 2.76 -3.249982635e+00 2.78 -3.185868999e+00 2.80 -3.120835430e+00 2.82 -3.055260037e+00 2.84 -2.989434796e+00 2.86 -2.923566787e+00 2.88 -2.857791063e+00 2.90 -2.792190022e+00 2.92 -2.726814003e+00 2.94 -2.661699460e+00 2.96 -2.596883022e+00 2.98 -2.532411128e+00 3.00 -2.468345518e+00 3.02 -2.404764967e+00 3.04 -2.341763594e+00 3.06 -2.279446204e+00 3.08 -2.217921489e+00 3.10 -2.157294360e+00 3.12 -2.097658900e+00 3.14 -2.039093272e+00 3.16 -1.981657271e+00 3.18 -1.925392514e+00 3.20 -1.870324582e+00 3.22 -1.816466201e+00 3.24 -1.763820586e+00 3.26 -1.712384340e+00 3.28 -1.662149632e+00 3.30 -1.613105595e+00 3.32 -1.565239076e+00 3.34 -1.518534888e+00 3.36 -1.472975765e+00 3.38 -1.428542136e+00 3.40 -1.385211870e+00 3.42 -1.342960046e+00 3.44 -1.301758822e+00 3.46 -1.261577443e+00 3.48 -1.222382402e+00 3.50 -1.184137761e+00 3.52 -1.146805607e+00 3.54 -1.110346625e+00 3.56 -1.074720732e+00 3.58 -1.039887734e+00 3.60 -1.005807992e+00 3.62 -9.724430729e-01 3.64 -9.397564260e-01 3.66 -9.077141344e-01 3.68 -8.762858160e-01 3.70 -8.454457392e-01 3.72 -8.151741849e-01 3.74 -7.854590259e-01 3.76 -7.562973987e-01 3.78 -7.276972444e-01 3.80 -6.996783961e-01 3.82 -6.722728429e-01 3.84 -6.455238255e-01 3.86 -6.194835432e-01 3.88 -5.942094852e-01 3.90 -5.697596798e-01 3.92 -5.461874329e-01 3.94 -5.235362874e-01 3.96 -5.018359365e-01 3.98 -4.810996431e-01 4.00 -4.613234105e-01 4.02 -4.424868215e-01 4.04 -4.245551913e-01 4.06 -4.074825385e-01 4.08 -3.912148641e-01 4.10 -3.756933164e-01 4.12 -3.608569641e-01 4.14 -3.466450217e-01 4.16 -3.329985301e-01 4.18 -3.198615340e-01 4.20 -3.071818679e-01 4.22 -2.949116680e-01 4.24 -2.830077184e-01 4.26 -2.714317250e-01 4.28 -2.601505795e-01 4.30 -2.491366483e-01 4.32 -2.383680887e-01 4.34 -2.278291638e-01 4.36 -2.175104989e-01 4.38 -2.074092006e-01 4.40 -1.975287454e-01 4.42 -1.878785538e-01 4.44 -1.784731820e-01 4.46 -1.693311171e-01 4.48 -1.604732109e-01 4.50 -1.519208624e-01 4.52 -1.436941073e-01 4.54 -1.358098077e-01 4.56 -1.282801349e-01 4.58 -1.211114967e-01 4.60 -1.143039988e-01 4.62 -1.078514554e-01 4.64 -1.017418903e-01 4.66 -9.595842026e-02 4.68 -9.048038809e-02 4.70 -8.528461336e-02 4.72 -8.034663216e-02 4.74 -7.564155747e-02 4.76 -7.114588046e-02 4.78 -6.683796211e-02 4.80 -6.269848231e-02 4.82 -5.871100511e-02 4.84 -5.486234530e-02 4.86 -5.114276517e-02 4.88 -4.754600132e-02 4.90 -4.406913402e-02 4.92 -4.071230567e-02 4.94 -3.747829937e-02 4.96 -3.437199565e-02 4.98 -3.139973245e-02 5.00 -2.856860855e-02 5.02 -2.588577476e-02 5.04 -2.335776126e-02 5.06 -2.098988924e-02 5.08 -1.878580642e-02 5.10 -1.674690810e-02 5.12 -1.487258914e-02 5.14 -1.316047968e-02 5.16 -1.160612581e-02 5.18 -1.020325075e-02 5.20 -8.944087295e-03 5.22 -7.819744197e-03 5.24 -6.820574882e-03 5.26 -5.936523258e-03 5.28 -5.157429357e-03 5.30 -4.473284827e-03 5.32 -3.874434742e-03 5.34 -3.351726995e-03 5.36 -2.896613939e-03 5.38 -2.501212807e-03 5.40 -2.158332283e-03 5.42 -1.861472537e-03 5.44 -1.604805477e-03 5.46 -1.383141115e-03 5.48 -1.191884928e-03 5.50 -1.026990132e-03 5.52 -8.849078770e-04 5.54 -7.625375525e-04 5.56 -6.571787811e-04 5.58 -5.664861092e-04 5.60 -4.884270194e-04 5.62 -4.212435719e-04 5.64 -3.634177608e-04 5.66 -3.136405174e-04 5.68 -2.707841875e-04 5.70 -2.338782499e-04 5.72 -2.020880045e-04 5.74 -1.746959525e-04 5.76 -1.510855855e-04 5.78 -1.307273172e-04 5.80 -1.131663048e-04 5.82 -9.801193004e-05 5.84 -8.492872795e-05 5.86 -7.362857785e-05 5.88 -6.386398699e-05 5.90 -5.542232078e-05 5.92 -4.812084936e-05 5.94 -4.180249791e-05 5.96 -3.633220211e-05 5.98 -3.159378378e-05 6.00 -2.748727283e-05