# 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 = NiTa2Ti # 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 2.762440792e+02 2.762440792e+02 1.30 2.555378666e+02 2.555378666e+02 1.32 2.363845721e+02 2.363845721e+02 1.34 2.186568444e+02 2.186568444e+02 1.36 2.022410306e+02 2.022410306e+02 1.38 1.870354040e+02 1.870354040e+02 1.40 1.729481855e+02 1.729481855e+02 1.42 1.598957384e+02 1.598957384e+02 1.44 1.478008766e+02 1.478008766e+02 1.46 1.365912783e+02 1.365912783e+02 1.48 1.261982458e+02 1.261982458e+02 1.50 1.165561771e+02 1.165561771e+02 1.52 1.076029028e+02 1.076029028e+02 1.54 9.928067598e+01 9.928067598e+01 1.56 9.153727203e+01 9.153727203e+01 1.58 8.432658556e+01 8.432658556e+01 1.60 7.760846515e+01 7.760846515e+01 1.62 7.134798364e+01 7.134798364e+01 1.64 6.551445633e+01 6.551445633e+01 1.66 6.008040205e+01 6.008040205e+01 1.68 5.502061170e+01 5.502061170e+01 1.70 5.031148580e+01 5.031148580e+01 1.72 4.593068366e+01 4.593068366e+01 1.74 4.185699131e+01 4.185699131e+01 1.76 3.807029586e+01 3.807029586e+01 1.78 3.455160994e+01 3.455160994e+01 1.80 3.128311343e+01 3.128311343e+01 1.82 2.824816957e+01 2.824816957e+01 1.84 2.543127485e+01 2.543127485e+01 1.86 2.281793034e+01 2.281793034e+01 1.88 2.039851555e+01 2.039851555e+01 1.90 1.816562901e+01 1.816562901e+01 1.92 1.610600469e+01 1.610600469e+01 1.94 1.420681530e+01 1.420681530e+01 1.96 1.245544868e+01 1.245544868e+01 1.98 1.083974164e+01 1.083974164e+01 2.00 9.348178209e+00 9.348178209e+00 2.02 7.970100190e+00 7.970100190e+00 2.04 6.695893242e+00 6.695893242e+00 2.06 5.517101023e+00 5.517101023e+00 2.08 4.426439097e+00 4.426439097e+00 2.10 3.417705740e+00 3.417705740e+00 2.12 2.485612189e+00 2.485612189e+00 2.14 1.625573214e+00 1.625573214e+00 2.16 8.335009973e-01 8.335009973e-01 2.18 1.056315830e-01 1.056315830e-01 2.20 -5.616058779e-01 -5.616058779e-01 2.22 -1.171680803e+00 -1.171680803e+00 2.24 -1.728020805e+00 -1.728020805e+00 2.26 -2.234045789e+00 -2.234045789e+00 2.28 -2.693182594e+00 -2.693182594e+00 2.30 -3.108865023e+00 -3.108865023e+00 2.32 -3.484521597e+00 -3.484521597e+00 2.34 -3.823545288e+00 -3.823545288e+00 2.36 -4.129240640e+00 -4.129240640e+00 2.38 -4.404750920e+00 -4.404750920e+00 2.40 -4.652980784e+00 -4.652980784e+00 2.42 -4.876535045e+00 -4.876535045e+00 2.44 -5.077688618e+00 -5.077688618e+00 2.46 -5.258391505e+00 -5.258391505e+00 2.48 -5.420301508e+00 -5.420301508e+00 2.50 -5.564832254e+00 -5.564832254e+00 2.52 -5.693204255e+00 -5.693204255e+00 2.54 -5.806490509e+00 -5.806490509e+00 2.56 -5.905598098e+00 -5.905598098e+00 2.58 -5.991253506e+00 -5.991253506e+00 2.60 -6.064444356e+00 -6.064444356e+00 2.62 -6.126101766e+00 -6.126101766e+00 2.64 -6.177081364e+00 -6.177081364e+00 2.66 -6.218177844e+00 -6.218177844e+00 2.68 -6.250135264e+00 -6.250135264e+00 2.70 -6.273653102e+00 -6.273653102e+00 2.72 -6.289382543e+00 -6.289382543e+00 2.74 -6.297727024e+00 -6.297727024e+00 2.76 -6.298843933e+00 -6.298843933e+00 2.78 -6.292911813e+00 -6.292911813e+00 2.80 -6.280128352e+00 -6.280128352e+00 2.82 -6.260696347e+00 -6.260696347e+00 2.84 -6.234816788e+00 -6.234816788e+00 2.86 -6.202698008e+00 -6.202698008e+00 2.88 -6.164575917e+00 -6.164575917e+00 2.90 -6.120617644e+00 -6.120617644e+00 2.92 -6.070997723e+00 -6.070997723e+00 2.94 -6.015910250e+00 -6.015910250e+00 2.96 -5.955568917e+00 -5.955568917e+00 2.98 -5.890206097e+00 -5.890206097e+00 3.00 -5.820070757e+00 -5.820070757e+00 3.02 -5.745424600e+00 -5.745424600e+00 3.04 -5.666530795e+00 -5.666530795e+00 3.06 -5.583547966e+00 -5.583547966e+00 3.08 -5.496550566e+00 -5.496550566e+00 3.10 -5.405630084e+00 -5.405630084e+00 3.12 -5.310893168e+00 -5.310893168e+00 3.14 -5.212462539e+00 -5.212462539e+00 3.16 -5.110483743e+00 -5.110483743e+00 3.18 -5.005136640e+00 -5.005136640e+00 3.20 -4.896647947e+00 -4.896647947e+00 3.22 -4.785302330e+00 -4.785302330e+00 3.24 -4.671449562e+00 -4.671449562e+00 3.26 -4.555505869e+00 -4.555505869e+00 3.28 -4.437948292e+00 -4.437948292e+00 3.30 -4.319301690e+00 -4.319301690e+00 3.32 -4.200119004e+00 -4.200119004e+00 3.34 -4.080956437e+00 -4.080956437e+00 3.36 -3.962346098e+00 -3.962346098e+00 3.38 -3.844769233e+00 -3.844769233e+00 3.40 -3.728633113e+00 -3.728633113e+00 3.42 -3.614254222e+00 -3.614254222e+00 3.44 -3.501849135e+00 -3.501849135e+00 3.46 -3.391533672e+00 -3.391533672e+00 3.48 -3.283329414e+00 -3.283329414e+00 3.50 -3.177176055e+00 -3.177176055e+00 3.52 -3.072947521e+00 -3.072947521e+00 3.54 -2.970469823e+00 -2.970469823e+00 3.56 -2.869538891e+00 -2.869538891e+00 3.58 -2.769937278e+00 -2.769937278e+00 3.60 -2.671449181e+00 -2.671449181e+00 3.62 -2.573873833e+00 -2.573873833e+00 3.64 -2.477037516e+00 -2.477037516e+00 3.66 -2.380804507e+00 -2.380804507e+00 3.68 -2.285086995e+00 -2.285086995e+00 3.70 -2.189853726e+00 -2.189853726e+00 3.72 -2.095136804e+00 -2.095136804e+00 3.74 -2.001035950e+00 -2.001035950e+00 3.76 -1.907719467e+00 -1.907719467e+00 3.78 -1.815421279e+00 -1.815421279e+00 3.80 -1.724433688e+00 -1.724433688e+00 3.82 -1.635095833e+00 -1.635095833e+00 3.84 -1.547778324e+00 -1.547778324e+00 3.86 -1.462864961e+00 -1.462864961e+00 3.88 -1.380732902e+00 -1.380732902e+00 3.90 -1.301732919e+00 -1.301732919e+00 3.92 -1.226171465e+00 -1.226171465e+00 3.94 -1.154296224e+00 -1.154296224e+00 3.96 -1.086285981e+00 -1.086285981e+00 3.98 -1.022245845e+00 -1.022245845e+00 4.00 -9.622074221e-01 -9.622074221e-01 4.02 -9.061334628e-01 -9.061334628e-01 4.04 -8.539259426e-01 -8.539259426e-01 4.06 -8.054363570e-01 -8.054363570e-01 4.08 -7.604770309e-01 -7.604770309e-01 4.10 -7.188323211e-01 -7.188323211e-01 4.12 -6.802694558e-01 -6.802694558e-01 4.14 -6.445471545e-01 -6.445471545e-01 4.16 -6.114236522e-01 -6.114236522e-01 4.18 -5.806626322e-01 -5.806626322e-01 4.20 -5.520377744e-01 -5.520377744e-01 4.22 -5.253360038e-01 -5.253360038e-01 4.24 -5.003596697e-01 -5.003596697e-01 4.26 -4.769278854e-01 -4.769278854e-01 4.28 -4.548772437e-01 -4.548772437e-01 4.30 -4.340620806e-01 -4.340620806e-01 4.32 -4.143544158e-01 -4.143544158e-01 4.34 -3.956436508e-01 -3.956436508e-01 4.36 -3.778360561e-01 -3.778360561e-01 4.38 -3.608540366e-01 -3.608540366e-01 4.40 -3.446351439e-01 -3.446351439e-01 4.42 -3.291307860e-01 -3.291307860e-01 4.44 -3.143045832e-01 -3.143045832e-01 4.46 -3.001301891e-01 -3.001301891e-01 4.48 -2.865896500e-01 -2.865896500e-01 4.50 -2.736706208e-01 -2.736706208e-01 4.52 -2.613637925e-01 -2.613637925e-01 4.54 -2.496606338e-01 -2.496606338e-01 4.56 -2.385514521e-01 -2.385514521e-01 4.58 -2.280239203e-01 -2.280239203e-01 4.60 -2.180621539e-01 -2.180621539e-01 4.62 -2.086463437e-01 -2.086463437e-01 4.64 -1.997528869e-01 -1.997528869e-01 4.66 -1.913549058e-01 -1.913549058e-01 4.68 -1.834230217e-01 -1.834230217e-01 4.70 -1.759262545e-01 -1.759262545e-01 4.72 -1.688329348e-01 -1.688329348e-01 4.74 -1.621115473e-01 -1.621115473e-01 4.76 -1.557314552e-01 -1.557314552e-01 4.78 -1.496634849e-01 -1.496634849e-01 4.80 -1.438803270e-01 -1.438803270e-01 4.82 -1.383570294e-01 -1.383570294e-01 4.84 -1.330709308e-01 -1.330709308e-01 4.86 -1.280019756e-01 -1.280019756e-01 4.88 -1.231327147e-01 -1.231327147e-01 4.90 -1.184482971e-01 -1.184482971e-01 4.92 -1.139364053e-01 -1.139364053e-01 4.94 -1.095871349e-01 -1.095871349e-01 4.96 -1.053928115e-01 -1.053928115e-01 4.98 -1.013477442e-01 -1.013477442e-01 5.00 -9.744791418e-02 -9.744791418e-02 5.02 -9.369060681e-02 -9.369060681e-02 5.04 -9.007400294e-02 -9.007400294e-02 5.06 -8.659675526e-02 -8.659675526e-02 5.08 -8.325754459e-02 -8.325754459e-02 5.10 -8.005465844e-02 -8.005465844e-02 5.12 -7.698601205e-02 -7.698601205e-02 5.14 -7.404874583e-02 -7.404874583e-02 5.16 -7.123910484e-02 -7.123910484e-02 5.18 -6.855244261e-02 -6.855244261e-02 5.20 -6.598330212e-02 -6.598330212e-02 5.22 -6.352555111e-02 -6.352555111e-02 5.24 -6.117254737e-02 -6.117254737e-02 5.26 -5.891731224e-02 -5.891731224e-02 5.28 -5.675269487e-02 -5.675269487e-02 5.30 -5.467151591e-02 -5.467151591e-02 5.32 -5.266668500e-02 -5.266668500e-02 5.34 -5.073128943e-02 -5.073128943e-02 5.36 -4.885865759e-02 -4.885865759e-02 5.38 -4.704240175e-02 -4.704240175e-02 5.40 -4.527644459e-02 -4.527644459e-02 5.42 -4.355503554e-02 -4.355503554e-02 5.44 -4.187276260e-02 -4.187276260e-02 5.46 -4.022456451e-02 -4.022456451e-02 5.48 -3.860574757e-02 -3.860574757e-02 5.50 -3.701201029e-02 -3.701201029e-02 5.52 -3.543947843e-02 -3.543947843e-02 5.54 -3.388475127e-02 -3.388475127e-02 5.56 -3.234496125e-02 -3.234496125e-02 5.58 -3.081784197e-02 -3.081784197e-02 5.60 -2.930180384e-02 -2.930180384e-02 5.62 -2.779601262e-02 -2.779601262e-02 5.64 -2.630046393e-02 -2.630046393e-02 5.66 -2.481604550e-02 -2.481604550e-02 5.68 -2.334457765e-02 -2.334457765e-02 5.70 -2.188882190e-02 -2.188882190e-02 5.72 -2.045244855e-02 -2.045244855e-02 5.74 -1.903995590e-02 -1.903995590e-02 5.76 -1.765653486e-02 -1.765653486e-02 5.78 -1.630774342e-02 -1.630774342e-02 5.80 -1.499954091e-02 -1.499954091e-02 5.82 -1.373801324e-02 -1.373801324e-02 5.84 -1.252899207e-02 -1.252899207e-02 5.86 -1.137778865e-02 -1.137778865e-02 5.88 -1.028895622e-02 -1.028895622e-02 5.90 -9.266099123e-03 -9.266099123e-03 5.92 -8.311742114e-03 -8.311742114e-03 5.94 -7.427266703e-03 -7.427266703e-03 5.96 -6.612914126e-03 -6.612914126e-03 5.98 -5.867848351e-03 -5.867848351e-03 6.00 -5.190267604e-03 -5.190267604e-03