# 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 = Ag2FeMo # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.680356250e+02 2.680356250e+02 1.30 2.471997503e+02 2.471997503e+02 1.32 2.279882548e+02 2.279882548e+02 1.34 2.102626943e+02 2.102626943e+02 1.36 1.938971431e+02 1.938971431e+02 1.38 1.787780742e+02 1.787780742e+02 1.40 1.648037396e+02 1.648037396e+02 1.42 1.518829147e+02 1.518829147e+02 1.44 1.399332865e+02 1.399332865e+02 1.46 1.288799248e+02 1.288799248e+02 1.48 1.186542344e+02 1.186542344e+02 1.50 1.091934249e+02 1.091934249e+02 1.52 1.004401423e+02 1.004401423e+02 1.54 9.234194118e+01 9.234194118e+01 1.56 8.485063279e+01 8.485063279e+01 1.58 7.792169553e+01 7.792169553e+01 1.60 7.151380152e+01 7.151380152e+01 1.62 6.558840797e+01 6.558840797e+01 1.64 6.010939863e+01 6.010939863e+01 1.66 5.504377242e+01 5.504377242e+01 1.68 5.036182463e+01 5.036182463e+01 1.70 4.603351864e+01 4.603351864e+01 1.72 4.203328986e+01 4.203328986e+01 1.74 3.833726979e+01 3.833726979e+01 1.76 3.492192359e+01 3.492192359e+01 1.78 3.176573750e+01 3.176573750e+01 1.80 2.884908327e+01 2.884908327e+01 1.82 2.615410609e+01 2.615410609e+01 1.84 2.366460600e+01 2.366460600e+01 1.86 2.136588010e+01 2.136588010e+01 1.88 1.924451669e+01 1.924451669e+01 1.90 1.728815767e+01 1.728815767e+01 1.92 1.548526140e+01 1.548526140e+01 1.94 1.382490459e+01 1.382490459e+01 1.96 1.229665573e+01 1.229665573e+01 1.98 1.089053227e+01 1.089053227e+01 2.00 9.597027291e+00 9.597027291e+00 2.02 8.407172095e+00 8.407172095e+00 2.04 7.312594724e+00 7.312594724e+00 2.06 6.305545132e+00 6.305545132e+00 2.08 5.378879859e+00 5.378879859e+00 2.10 4.526021845e+00 4.526021845e+00 2.12 3.740919665e+00 3.740919665e+00 2.14 3.018022302e+00 3.018022302e+00 2.16 2.352270276e+00 2.352270276e+00 2.18 1.739092680e+00 1.739092680e+00 2.20 1.174397065e+00 1.174397065e+00 2.22 6.545435612e-01 6.545435612e-01 2.24 1.763020114e-01 1.763020114e-01 2.26 -2.632027355e-01 -2.632027355e-01 2.28 -6.665490537e-01 -6.665490537e-01 2.30 -1.036072606e+00 -1.036072606e+00 2.32 -1.373886430e+00 -1.373886430e+00 2.34 -1.681822750e+00 -1.681822750e+00 2.36 -1.961865083e+00 -1.961865083e+00 2.38 -2.215893415e+00 -2.215893415e+00 2.40 -2.445643576e+00 -2.445643576e+00 2.42 -2.652729423e+00 -2.652729423e+00 2.44 -2.838660825e+00 -2.838660825e+00 2.46 -3.004859337e+00 -3.004859337e+00 2.48 -3.152589752e+00 -3.152589752e+00 2.50 -3.282862081e+00 -3.282862081e+00 2.52 -3.396659962e+00 -3.396659962e+00 2.54 -3.494977337e+00 -3.494977337e+00 2.56 -3.578813840e+00 -3.578813840e+00 2.58 -3.649169571e+00 -3.649169571e+00 2.60 -3.707036909e+00 -3.707036909e+00 2.62 -3.753387325e+00 -3.753387325e+00 2.64 -3.789153187e+00 -3.789153187e+00 2.66 -3.815209999e+00 -3.815209999e+00 2.68 -3.832356366e+00 -3.832356366e+00 2.70 -3.841301100e+00 -3.841301100e+00 2.72 -3.842675246e+00 -3.842675246e+00 2.74 -3.837044897e+00 -3.837044897e+00 2.76 -3.824929333e+00 -3.824929333e+00 2.78 -3.806819870e+00 -3.806819870e+00 2.80 -3.783185096e+00 -3.783185096e+00 2.82 -3.754343922e+00 -3.754343922e+00 2.84 -3.720537836e+00 -3.720537836e+00 2.86 -3.682226425e+00 -3.682226425e+00 2.88 -3.639599680e+00 -3.639599680e+00 2.90 -3.592765757e+00 -3.592765757e+00 2.92 -3.541889943e+00 -3.541889943e+00 2.94 -3.487184957e+00 -3.487184957e+00 2.96 -3.428903159e+00 -3.428903159e+00 2.98 -3.367329536e+00 -3.367329536e+00 3.00 -3.302775425e+00 -3.302775425e+00 3.02 -3.235584419e+00 -3.235584419e+00 3.04 -3.166114328e+00 -3.166114328e+00 3.06 -3.094711574e+00 -3.094711574e+00 3.08 -3.021698094e+00 -3.021698094e+00 3.10 -2.947359719e+00 -2.947359719e+00 3.12 -2.871937670e+00 -2.871937670e+00 3.14 -2.795624828e+00 -2.795624828e+00 3.16 -2.718567519e+00 -2.718567519e+00 3.18 -2.640872640e+00 -2.640872640e+00 3.20 -2.562618920e+00 -2.562618920e+00 3.22 -2.483870545e+00 -2.483870545e+00 3.24 -2.404691270e+00 -2.404691270e+00 3.26 -2.325157357e+00 -2.325157357e+00 3.28 -2.245368172e+00 -2.245368172e+00 3.30 -2.165453756e+00 -2.165453756e+00 3.32 -2.085579133e+00 -2.085579133e+00 3.34 -2.005945398e+00 -2.005945398e+00 3.36 -1.926787794e+00 -1.926787794e+00 3.38 -1.848371091e+00 -1.848371091e+00 3.40 -1.770982577e+00 -1.770982577e+00 3.42 -1.694923050e+00 -1.694923050e+00 3.44 -1.620496292e+00 -1.620496292e+00 3.46 -1.547997650e+00 -1.547997650e+00 3.48 -1.477702503e+00 -1.477702503e+00 3.50 -1.409855499e+00 -1.409855499e+00 3.52 -1.344661455e+00 -1.344661455e+00 3.54 -1.282278659e+00 -1.282278659e+00 3.56 -1.222815077e+00 -1.222815077e+00 3.58 -1.166327620e+00 -1.166327620e+00 3.60 -1.112824265e+00 -1.112824265e+00 3.62 -1.062268583e+00 -1.062268583e+00 3.64 -1.014585979e+00 -1.014585979e+00 3.66 -9.696709384e-01 -9.696709384e-01 3.68 -9.273945815e-01 -9.273945815e-01 3.70 -8.876119473e-01 -8.876119473e-01 3.72 -8.501685875e-01 -8.501685875e-01 3.74 -8.149062095e-01 -8.149062095e-01 3.76 -7.816672525e-01 -7.816672525e-01 3.78 -7.502983957e-01 -7.502983957e-01 3.80 -7.206530772e-01 -7.206530772e-01 3.82 -6.925931521e-01 -6.925931521e-01 3.84 -6.659898374e-01 -6.659898374e-01 3.86 -6.407240965e-01 -6.407240965e-01 3.88 -6.166866030e-01 -6.166866030e-01 3.90 -5.937774087e-01 -5.937774087e-01 3.92 -5.719054170e-01 -5.719054170e-01 3.94 -5.509877494e-01 -5.509877494e-01 3.96 -5.309490578e-01 -5.309490578e-01 3.98 -5.117208482e-01 -5.117208482e-01 4.00 -4.932408364e-01 -4.932408364e-01 4.02 -4.754523708e-01 -4.754523708e-01 4.04 -4.583039364e-01 -4.583039364e-01 4.06 -4.417487544e-01 -4.417487544e-01 4.08 -4.257444842e-01 -4.257444842e-01 4.10 -4.102530280e-01 -4.102530280e-01 4.12 -3.952404499e-01 -3.952404499e-01 4.14 -3.806769588e-01 -3.806769588e-01 4.16 -3.665369907e-01 -3.665369907e-01 4.18 -3.527993162e-01 -3.527993162e-01 4.20 -3.394471501e-01 -3.394471501e-01 4.22 -3.264682067e-01 -3.264682067e-01 4.24 -3.138546428e-01 -3.138546428e-01 4.26 -3.016028291e-01 -3.016028291e-01 4.28 -2.897129040e-01 -2.897129040e-01 4.30 -2.781880831e-01 -2.781880831e-01 4.32 -2.670337340e-01 -2.670337340e-01 4.34 -2.562562621e-01 -2.562562621e-01 4.36 -2.458618935e-01 -2.458618935e-01 4.38 -2.358554631e-01 -2.358554631e-01 4.40 -2.262393322e-01 -2.262393322e-01 4.42 -2.170125422e-01 -2.170125422e-01 4.44 -2.081702774e-01 -2.081702774e-01 4.46 -1.997036259e-01 -1.997036259e-01 4.48 -1.915992967e-01 -1.915992967e-01 4.50 -1.838411802e-01 -1.838411802e-01 4.52 -1.764103006e-01 -1.764103006e-01 4.54 -1.692852736e-01 -1.692852736e-01 4.56 -1.624430769e-01 -1.624430769e-01 4.58 -1.558597759e-01 -1.558597759e-01 4.60 -1.495111647e-01 -1.495111647e-01 4.62 -1.433733075e-01 -1.433733075e-01 4.64 -1.374229778e-01 -1.374229778e-01 4.66 -1.316380116e-01 -1.316380116e-01 4.68 -1.259975925e-01 -1.259975925e-01 4.70 -1.204824916e-01 -1.204824916e-01 4.72 -1.150752844e-01 -1.150752844e-01 4.74 -1.097605608e-01 -1.097605608e-01 4.76 -1.045251423e-01 -1.045251423e-01 4.78 -9.935830913e-02 -9.935830913e-02 4.80 -9.425203672e-02 -9.425203672e-02 4.82 -8.920123451e-02 -8.920123451e-02 4.84 -8.420395284e-02 -8.420395284e-02 4.86 -7.926155510e-02 -7.926155510e-02 4.88 -7.437880525e-02 -7.437880525e-02 4.90 -6.956384487e-02 -6.956384487e-02 4.92 -6.482802717e-02 -6.482802717e-02 4.94 -6.018558444e-02 -6.018558444e-02 4.96 -5.565311842e-02 -5.565311842e-02 4.98 -5.124892098e-02 -5.124892098e-02 5.00 -4.699215236e-02 -4.699215236e-02 5.02 -4.290192942e-02 -4.290192942e-02 5.04 -3.899638199e-02 -3.899638199e-02 5.06 -3.529175161e-02 -3.529175161e-02 5.08 -3.180160844e-02 -3.180160844e-02 5.10 -2.853624038e-02 -2.853624038e-02 5.12 -2.550226033e-02 -2.550226033e-02 5.14 -2.270245788e-02 -2.270245788e-02 5.16 -2.013587135e-02 -2.013587135e-02 5.18 -1.779805777e-02 -1.779805777e-02 5.20 -1.568129834e-02 -1.568129834e-02 5.22 -1.377522520e-02 -1.377522520e-02 5.24 -1.206821661e-02 -1.206821661e-02 5.26 -1.054714951e-02 -1.054714951e-02 5.28 -9.197954106e-03 -9.197954106e-03 5.30 -8.006139621e-03 -8.006139621e-03 5.32 -6.957233627e-03 -6.957233627e-03 5.34 -6.037130711e-03 -6.037130711e-03 5.36 -5.232353730e-03 -5.232353730e-03 5.38 -4.530235988e-03 -4.530235988e-03 5.40 -3.919035481e-03 -3.919035481e-03 5.42 -3.387993367e-03 -3.387993367e-03 5.44 -2.927348613e-03 -2.927348613e-03 5.46 -2.528319769e-03 -2.528319769e-03 5.48 -2.183063321e-03 -2.183063321e-03 5.50 -1.884616515e-03 -1.884616515e-03 5.52 -1.626830921e-03 -1.626830921e-03 5.54 -1.404301587e-03 -1.404301587e-03 5.56 -1.212295366e-03 -1.212295366e-03 5.58 -1.046680963e-03 -1.046680963e-03 5.60 -9.038624221e-04 -9.038624221e-04 5.62 -7.807171058e-04 -7.807171058e-04 5.64 -6.745387616e-04 -6.745387616e-04 5.66 -5.829858769e-04 -5.829858769e-04 5.68 -5.040353005e-04 -5.040353005e-04 5.70 -4.359409250e-04 -4.359409250e-04 5.72 -3.771971223e-04 -3.771971223e-04 5.74 -3.265065639e-04 -3.265065639e-04 5.76 -2.827520297e-04 -2.827520297e-04 5.78 -2.449718049e-04 -2.449718049e-04 5.80 -2.123382783e-04 -2.123382783e-04 5.82 -1.841393734e-04 -1.841393734e-04 5.84 -1.597624748e-04 -1.597624748e-04 5.86 -1.386805393e-04 -1.386805393e-04 5.88 -1.204401130e-04 -1.204401130e-04 5.90 -1.046510064e-04 -1.046510064e-04 5.92 -9.097740651e-05 -9.097740651e-05 5.94 -7.913023244e-05 -7.913023244e-05 5.96 -6.886056441e-05 -6.886056441e-05 5.98 -5.995399844e-05 -5.995399844e-05 6.00 -5.222579787e-05 -5.222579787e-05