# 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 = Ag2CuTi # 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 2.183056242e+02 2.183056242e+02 1.30 2.018751896e+02 2.018751896e+02 1.32 1.866945088e+02 1.866945088e+02 1.34 1.726620368e+02 1.726620368e+02 1.36 1.596841646e+02 1.596841646e+02 1.38 1.476755401e+02 1.476755401e+02 1.40 1.365586491e+02 1.365586491e+02 1.42 1.262629894e+02 1.262629894e+02 1.44 1.167242151e+02 1.167242151e+02 1.46 1.078833779e+02 1.078833779e+02 1.48 9.968636744e+01 9.968636744e+01 1.50 9.208364617e+01 9.208364617e+01 1.52 8.503007138e+01 8.503007138e+01 1.54 7.848450071e+01 7.848450071e+01 1.56 7.240922743e+01 7.240922743e+01 1.58 6.676951000e+01 6.676951000e+01 1.60 6.153332529e+01 6.153332529e+01 1.62 5.667125518e+01 5.667125518e+01 1.64 5.215630708e+01 5.215630708e+01 1.66 4.796370894e+01 4.796370894e+01 1.68 4.407051223e+01 4.407051223e+01 1.70 4.045726180e+01 4.045726180e+01 1.72 3.710424967e+01 3.710424967e+01 1.74 3.399242283e+01 3.399242283e+01 1.76 3.110418572e+01 3.110418572e+01 1.78 2.842330243e+01 2.842330243e+01 1.80 2.593481492e+01 2.593481492e+01 1.82 2.362500429e+01 2.362500429e+01 1.84 2.148134108e+01 2.148134108e+01 1.86 1.949237374e+01 1.949237374e+01 1.88 1.764756078e+01 1.764756078e+01 1.90 1.593709288e+01 1.593709288e+01 1.92 1.435175011e+01 1.435175011e+01 1.94 1.288282255e+01 1.288282255e+01 1.96 1.152210033e+01 1.152210033e+01 1.98 1.026190826e+01 1.026190826e+01 2.00 9.095139272e+00 9.095139272e+00 2.02 8.015250668e+00 8.015250668e+00 2.04 7.016220385e+00 7.016220385e+00 2.06 6.092484833e+00 6.092484833e+00 2.08 5.238882112e+00 5.238882112e+00 2.10 4.450611175e+00 4.450611175e+00 2.12 3.723201961e+00 3.723201961e+00 2.14 3.052487262e+00 3.052487262e+00 2.16 2.434572797e+00 2.434572797e+00 2.18 1.865807552e+00 1.865807552e+00 2.20 1.342757790e+00 1.342757790e+00 2.22 8.621859758e-01 8.621859758e-01 2.24 4.210359807e-01 4.210359807e-01 2.26 1.642551483e-02 1.642551483e-02 2.28 -3.543548597e-01 -3.543548597e-01 2.30 -6.938380026e-01 -6.938380026e-01 2.32 -1.004375423e+00 -1.004375423e+00 2.34 -1.288131411e+00 -1.288131411e+00 2.36 -1.547079114e+00 -1.547079114e+00 2.38 -1.783002551e+00 -1.783002551e+00 2.40 -1.997509666e+00 -1.997509666e+00 2.42 -2.192056810e+00 -2.192056810e+00 2.44 -2.367979450e+00 -2.367979450e+00 2.46 -2.526522539e+00 -2.526522539e+00 2.48 -2.668914037e+00 -2.668914037e+00 2.50 -2.796267769e+00 -2.796267769e+00 2.52 -2.909607811e+00 -2.909607811e+00 2.54 -3.009933506e+00 -3.009933506e+00 2.56 -3.098216615e+00 -3.098216615e+00 2.58 -3.175397911e+00 -3.175397911e+00 2.60 -3.242383401e+00 -3.242383401e+00 2.62 -3.300034308e+00 -3.300034308e+00 2.64 -3.349083049e+00 -3.349083049e+00 2.66 -3.390355780e+00 -3.390355780e+00 2.68 -3.424411153e+00 -3.424411153e+00 2.70 -3.451556080e+00 -3.451556080e+00 2.72 -3.472112340e+00 -3.472112340e+00 2.74 -3.486406153e+00 -3.486406153e+00 2.76 -3.494759862e+00 -3.494759862e+00 2.78 -3.497485466e+00 -3.497485466e+00 2.80 -3.494881119e+00 -3.494881119e+00 2.82 -3.487245536e+00 -3.487245536e+00 2.84 -3.474878358e+00 -3.474878358e+00 2.86 -3.458126059e+00 -3.458126059e+00 2.88 -3.437402165e+00 -3.437402165e+00 2.90 -3.412813905e+00 -3.412813905e+00 2.92 -3.384481245e+00 -3.384481245e+00 2.94 -3.352563392e+00 -3.352563392e+00 2.96 -3.317256431e+00 -3.317256431e+00 2.98 -3.278791059e+00 -3.278791059e+00 3.00 -3.237430148e+00 -3.237430148e+00 3.02 -3.193465332e+00 -3.193465332e+00 3.04 -3.147219116e+00 -3.147219116e+00 3.06 -3.099034860e+00 -3.099034860e+00 3.08 -3.049250747e+00 -3.049250747e+00 3.10 -2.998185145e+00 -2.998185145e+00 3.12 -2.946124172e+00 -2.946124172e+00 3.14 -2.893313552e+00 -2.893313552e+00 3.16 -2.839955194e+00 -2.839955194e+00 3.18 -2.786208978e+00 -2.786208978e+00 3.20 -2.732197786e+00 -2.732197786e+00 3.22 -2.678014461e+00 -2.678014461e+00 3.24 -2.623729194e+00 -2.623729194e+00 3.26 -2.569396409e+00 -2.569396409e+00 3.28 -2.515060592e+00 -2.515060592e+00 3.30 -2.460760937e+00 -2.460760937e+00 3.32 -2.406534828e+00 -2.406534828e+00 3.34 -2.352420310e+00 -2.352420310e+00 3.36 -2.298457720e+00 -2.298457720e+00 3.38 -2.244690653e+00 -2.244690653e+00 3.40 -2.191166447e+00 -2.191166447e+00 3.42 -2.137936421e+00 -2.137936421e+00 3.44 -2.085055788e+00 -2.085055788e+00 3.46 -2.032583615e+00 -2.032583615e+00 3.48 -1.980582543e+00 -1.980582543e+00 3.50 -1.929118218e+00 -1.929118218e+00 3.52 -1.878258203e+00 -1.878258203e+00 3.54 -1.828070163e+00 -1.828070163e+00 3.56 -1.778619275e+00 -1.778619275e+00 3.58 -1.729965076e+00 -1.729965076e+00 3.60 -1.682158218e+00 -1.682158218e+00 3.62 -1.635237779e+00 -1.635237779e+00 3.64 -1.589229723e+00 -1.589229723e+00 3.66 -1.544146857e+00 -1.544146857e+00 3.68 -1.499990304e+00 -1.499990304e+00 3.70 -1.456752136e+00 -1.456752136e+00 3.72 -1.414418701e+00 -1.414418701e+00 3.74 -1.372974058e+00 -1.372974058e+00 3.76 -1.332403062e+00 -1.332403062e+00 3.78 -1.292693754e+00 -1.292693754e+00 3.80 -1.253838804e+00 -1.253838804e+00 3.82 -1.215835957e+00 -1.215835957e+00 3.84 -1.178687480e+00 -1.178687480e+00 3.86 -1.142398789e+00 -1.142398789e+00 3.88 -1.106976504e+00 -1.106976504e+00 3.90 -1.072426282e+00 -1.072426282e+00 3.92 -1.038750743e+00 -1.038750743e+00 3.94 -1.005947918e+00 -1.005947918e+00 3.96 -9.740100738e-01 -9.740100738e-01 3.98 -9.429234338e-01 -9.429234338e-01 4.00 -9.126683837e-01 -9.126683837e-01 4.02 -8.832201698e-01 -8.832201698e-01 4.04 -8.545499003e-01 -8.545499003e-01 4.06 -8.266256920e-01 -8.266256920e-01 4.08 -7.994138434e-01 -7.994138434e-01 4.10 -7.728798954e-01 -7.728798954e-01 4.12 -7.469899476e-01 -7.469899476e-01 4.14 -7.217112007e-01 -7.217112007e-01 4.16 -6.970131524e-01 -6.970131524e-01 4.18 -6.728683604e-01 -6.728683604e-01 4.20 -6.492532289e-01 -6.492532289e-01 4.22 -6.261487267e-01 -6.261487267e-01 4.24 -6.035410007e-01 -6.035410007e-01 4.26 -5.814218360e-01 -5.814218360e-01 4.28 -5.597889028e-01 -5.597889028e-01 4.30 -5.386457330e-01 -5.386457330e-01 4.32 -5.180013814e-01 -5.180013814e-01 4.34 -4.978697489e-01 -4.978697489e-01 4.36 -4.782685789e-01 -4.782685789e-01 4.38 -4.592181670e-01 -4.592181670e-01 4.40 -4.407398580e-01 -4.407398580e-01 4.42 -4.228544264e-01 -4.228544264e-01 4.44 -4.055804510e-01 -4.055804510e-01 4.46 -3.889327990e-01 -3.889327990e-01 4.48 -3.729213306e-01 -3.729213306e-01 4.50 -3.575499173e-01 -3.575499173e-01 4.52 -3.428158400e-01 -3.428158400e-01 4.54 -3.287096013e-01 -3.287096013e-01 4.56 -3.152151413e-01 -3.152151413e-01 4.58 -3.023104143e-01 -3.023104143e-01 4.60 -2.899682492e-01 -2.899682492e-01 4.62 -2.781574012e-01 -2.781574012e-01 4.64 -2.668436984e-01 -2.668436984e-01 4.66 -2.559911991e-01 -2.559911991e-01 4.68 -2.455632902e-01 -2.455632902e-01 4.70 -2.355236856e-01 -2.355236856e-01 4.72 -2.258373009e-01 -2.258373009e-01 4.74 -2.164710029e-01 -2.164710029e-01 4.76 -2.073942426e-01 -2.073942426e-01 4.78 -1.985795877e-01 -1.985795877e-01 4.80 -1.900031256e-01 -1.900031256e-01 4.82 -1.816450112e-01 -1.816450112e-01 4.84 -1.734894870e-01 -1.734894870e-01 4.86 -1.655252929e-01 -1.655252929e-01 4.88 -1.577457321e-01 -1.577457321e-01 4.90 -1.501486647e-01 -1.501486647e-01 4.92 -1.427363483e-01 -1.427363483e-01 4.94 -1.355151014e-01 -1.355151014e-01 4.96 -1.284947697e-01 -1.284947697e-01 4.98 -1.216879965e-01 -1.216879965e-01 5.00 -1.151093172e-01 -1.151093172e-01 5.02 -1.087741217e-01 -1.087741217e-01 5.04 -1.026975513e-01 -1.026975513e-01 5.06 -9.689341306e-02 -9.689341306e-02 5.08 -9.137319668e-02 -9.137319668e-02 5.10 -8.614527494e-02 -8.614527494e-02 5.12 -8.121434514e-02 -8.121434514e-02 5.14 -7.658114579e-02 -7.658114579e-02 5.16 -7.224244645e-02 -7.224244645e-02 5.18 -6.819128118e-02 -6.819128118e-02 5.20 -6.441728901e-02 -6.441728901e-02 5.22 -6.090731507e-02 -6.090731507e-02 5.24 -5.764637190e-02 -5.764637190e-02 5.26 -5.461784210e-02 -5.461784210e-02 5.28 -5.180423079e-02 -5.180423079e-02 5.30 -4.918785080e-02 -4.918785080e-02 5.32 -4.675104215e-02 -4.675104215e-02 5.34 -4.447655554e-02 -4.447655554e-02 5.36 -4.234783853e-02 -4.234783853e-02 5.38 -4.034923322e-02 -4.034923322e-02 5.40 -3.846610023e-02 -3.846610023e-02 5.42 -3.668488480e-02 -3.668488480e-02 5.44 -3.499314041e-02 -3.499314041e-02 5.46 -3.337952360e-02 -3.337952360e-02 5.48 -3.183377182e-02 -3.183377182e-02 5.50 -3.034667388e-02 -3.034667388e-02 5.52 -2.891004044e-02 -2.891004044e-02 5.54 -2.751667995e-02 -2.751667995e-02 5.56 -2.616038236e-02 -2.616038236e-02 5.58 -2.483591302e-02 -2.483591302e-02 5.60 -2.353901526e-02 -2.353901526e-02 5.62 -2.226641888e-02 -2.226641888e-02 5.64 -2.101584985e-02 -2.101584985e-02 5.66 -1.978603515e-02 -1.978603515e-02 5.68 -1.857669519e-02 -1.857669519e-02 5.70 -1.738851586e-02 -1.738851586e-02 5.72 -1.622309271e-02 -1.622309271e-02 5.74 -1.508284128e-02 -1.508284128e-02 5.76 -1.397086724e-02 -1.397086724e-02 5.78 -1.289063728e-02 -1.289063728e-02 5.80 -1.184609067e-02 -1.184609067e-02 5.82 -1.084140301e-02 -1.084140301e-02 5.84 -9.880632962e-03 -9.880632962e-03 5.86 -8.967502816e-03 -8.967502816e-03 5.88 -8.105202808e-03 -8.105202808e-03 5.90 -7.296233594e-03 -7.296233594e-03 5.92 -6.542297016e-03 -6.542297016e-03 5.94 -5.844240297e-03 -5.844240297e-03 5.96 -5.202053242e-03 -5.202053242e-03 5.98 -4.614913066e-03 -4.614913066e-03 6.00 -4.081267721e-03 -4.081267721e-03