# 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 = CuNi2Pd # 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 1.464280222e+02 1.464280222e+02 1.30 1.346713993e+02 1.346713993e+02 1.32 1.238261382e+02 1.238261382e+02 1.34 1.138183372e+02 1.138183372e+02 1.36 1.045800832e+02 1.045800832e+02 1.38 9.604846072e+01 9.604846072e+01 1.40 8.816516192e+01 8.816516192e+01 1.42 8.087694626e+01 8.087694626e+01 1.44 7.413608756e+01 7.413608756e+01 1.46 6.789999672e+01 6.789999672e+01 1.48 6.213018965e+01 6.213018965e+01 1.50 5.679129597e+01 5.679129597e+01 1.52 5.185047517e+01 5.185047517e+01 1.54 4.727706862e+01 4.727706862e+01 1.56 4.304223988e+01 4.304223988e+01 1.58 3.911871603e+01 3.911871603e+01 1.60 3.548351570e+01 3.548351570e+01 1.62 3.212852079e+01 3.212852079e+01 1.64 2.903399330e+01 2.903399330e+01 1.66 2.618055923e+01 2.618055923e+01 1.68 2.355136968e+01 2.355136968e+01 1.70 2.113119551e+01 2.113119551e+01 1.72 1.890562339e+01 1.890562339e+01 1.74 1.686055718e+01 1.686055718e+01 1.76 1.498211863e+01 1.498211863e+01 1.78 1.325688781e+01 1.325688781e+01 1.80 1.167226900e+01 1.167226900e+01 1.82 1.021674850e+01 1.021674850e+01 1.84 8.879939332e+00 8.879939332e+00 1.86 7.652456832e+00 7.652456832e+00 1.88 6.525736798e+00 6.525736798e+00 1.90 5.491888984e+00 5.491888984e+00 1.92 4.543622387e+00 4.543622387e+00 1.94 3.674231353e+00 3.674231353e+00 1.96 2.877607995e+00 2.877607995e+00 1.98 2.148242206e+00 2.148242206e+00 2.00 1.481183560e+00 1.481183560e+00 2.02 8.719645051e-01 8.719645051e-01 2.04 3.165066616e-01 3.165066616e-01 2.06 -1.889619699e-01 -1.889619699e-01 2.08 -6.479615054e-01 -6.479615054e-01 2.10 -1.063785168e+00 -1.063785168e+00 2.12 -1.439505526e+00 -1.439505526e+00 2.14 -1.777977005e+00 -1.777977005e+00 2.16 -2.081846948e+00 -2.081846948e+00 2.18 -2.353580428e+00 -2.353580428e+00 2.20 -2.595495889e+00 -2.595495889e+00 2.22 -2.809803187e+00 -2.809803187e+00 2.24 -2.998635011e+00 -2.998635011e+00 2.26 -3.164067356e+00 -3.164067356e+00 2.28 -3.308131002e+00 -3.308131002e+00 2.30 -3.432817457e+00 -3.432817457e+00 2.32 -3.540076962e+00 -3.540076962e+00 2.34 -3.631799253e+00 -3.631799253e+00 2.36 -3.709770467e+00 -3.709770467e+00 2.38 -3.775614561e+00 -3.775614561e+00 2.40 -3.830739303e+00 -3.830739303e+00 2.42 -3.876311949e+00 -3.876311949e+00 2.44 -3.913282015e+00 -3.913282015e+00 2.46 -3.942425369e+00 -3.942425369e+00 2.48 -3.964447787e+00 -3.964447787e+00 2.50 -3.980264627e+00 -3.980264627e+00 2.52 -3.990323438e+00 -3.990323438e+00 2.54 -3.995016952e+00 -3.995016952e+00 2.56 -3.994103417e+00 -3.994103417e+00 2.58 -3.987366070e+00 -3.987366070e+00 2.60 -3.974699388e+00 -3.974699388e+00 2.62 -3.956089208e+00 -3.956089208e+00 2.64 -3.931608290e+00 -3.931608290e+00 2.66 -3.901447514e+00 -3.901447514e+00 2.68 -3.865899700e+00 -3.865899700e+00 2.70 -3.825357891e+00 -3.825357891e+00 2.72 -3.780286710e+00 -3.780286710e+00 2.74 -3.731198336e+00 -3.731198336e+00 2.76 -3.678628669e+00 -3.678628669e+00 2.78 -3.623107043e+00 -3.623107043e+00 2.80 -3.565126630e+00 -3.565126630e+00 2.82 -3.505123286e+00 -3.505123286e+00 2.84 -3.443467587e+00 -3.443467587e+00 2.86 -3.380469930e+00 -3.380469930e+00 2.88 -3.316394290e+00 -3.316394290e+00 2.90 -3.251474293e+00 -3.251474293e+00 2.92 -3.185926093e+00 -3.185926093e+00 2.94 -3.119955057e+00 -3.119955057e+00 2.96 -3.053756167e+00 -3.053756167e+00 2.98 -2.987510264e+00 -2.987510264e+00 3.00 -2.921379114e+00 -2.921379114e+00 3.02 -2.855501854e+00 -2.855501854e+00 3.04 -2.789994138e+00 -2.789994138e+00 3.06 -2.724949985e+00 -2.724949985e+00 3.08 -2.660445430e+00 -2.660445430e+00 3.10 -2.596542805e+00 -2.596542805e+00 3.12 -2.533294670e+00 -2.533294670e+00 3.14 -2.470746818e+00 -2.470746818e+00 3.16 -2.408940192e+00 -2.408940192e+00 3.18 -2.347911855e+00 -2.347911855e+00 3.20 -2.287695293e+00 -2.287695293e+00 3.22 -2.228320374e+00 -2.228320374e+00 3.24 -2.169813250e+00 -2.169813250e+00 3.26 -2.112196351e+00 -2.112196351e+00 3.28 -2.055488569e+00 -2.055488569e+00 3.30 -1.999705593e+00 -1.999705593e+00 3.32 -1.944860315e+00 -1.944860315e+00 3.34 -1.890963196e+00 -1.890963196e+00 3.36 -1.838022486e+00 -1.838022486e+00 3.38 -1.786044240e+00 -1.786044240e+00 3.40 -1.735032109e+00 -1.735032109e+00 3.42 -1.684986968e+00 -1.684986968e+00 3.44 -1.635906437e+00 -1.635906437e+00 3.46 -1.587784428e+00 -1.587784428e+00 3.48 -1.540610798e+00 -1.540610798e+00 3.50 -1.494371197e+00 -1.494371197e+00 3.52 -1.449047151e+00 -1.449047151e+00 3.54 -1.404616383e+00 -1.404616383e+00 3.56 -1.361053356e+00 -1.361053356e+00 3.58 -1.318329971e+00 -1.318329971e+00 3.60 -1.276416419e+00 -1.276416419e+00 3.62 -1.235282118e+00 -1.235282118e+00 3.64 -1.194896771e+00 -1.194896771e+00 3.66 -1.155231564e+00 -1.155231564e+00 3.68 -1.116260535e+00 -1.116260535e+00 3.70 -1.077962155e+00 -1.077962155e+00 3.72 -1.040321089e+00 -1.040321089e+00 3.74 -1.003330056e+00 -1.003330056e+00 3.76 -9.669915939e-01 -9.669915939e-01 3.78 -9.313194529e-01 -9.313194529e-01 3.80 -8.963392784e-01 -8.963392784e-01 3.82 -8.620882363e-01 -8.620882363e-01 3.84 -8.286133286e-01 -8.286133286e-01 3.86 -7.959683249e-01 -7.959683249e-01 3.88 -7.642094923e-01 -7.642094923e-01 3.90 -7.333905753e-01 -7.333905753e-01 3.92 -7.035576863e-01 -7.035576863e-01 3.94 -6.747448435e-01 -6.747448435e-01 3.96 -6.469707953e-01 -6.469707953e-01 3.98 -6.202375313e-01 -6.202375313e-01 4.00 -5.945305489e-01 -5.945305489e-01 4.02 -5.698206334e-01 -5.698206334e-01 4.04 -5.460666809e-01 -5.460666809e-01 4.06 -5.232190003e-01 -5.232190003e-01 4.08 -5.012225644e-01 -5.012225644e-01 4.10 -4.800198052e-01 -4.800198052e-01 4.12 -4.595527319e-01 -4.595527319e-01 4.14 -4.397643148e-01 -4.397643148e-01 4.16 -4.205992475e-01 -4.205992475e-01 4.18 -4.020042834e-01 -4.020042834e-01 4.20 -3.839283963e-01 -3.839283963e-01 4.22 -3.663230012e-01 -3.663230012e-01 4.24 -3.491424191e-01 -3.491424191e-01 4.26 -3.323446873e-01 -3.323446873e-01 4.28 -3.158927248e-01 -3.158927248e-01 4.30 -2.997557756e-01 -2.997557756e-01 4.32 -2.839109815e-01 -2.839109815e-01 4.34 -2.683448832e-01 -2.683448832e-01 4.36 -2.530546254e-01 -2.530546254e-01 4.38 -2.380486393e-01 -2.380486393e-01 4.40 -2.233466072e-01 -2.233466072e-01 4.42 -2.089785757e-01 -2.089785757e-01 4.44 -1.949831766e-01 -1.949831766e-01 4.46 -1.814050294e-01 -1.814050294e-01 4.48 -1.682915244e-01 -1.682915244e-01 4.50 -1.556892907e-01 -1.556892907e-01 4.52 -1.436407242e-01 -1.436407242e-01 4.54 -1.321809575e-01 -1.321809575e-01 4.56 -1.213355993e-01 -1.213355993e-01 4.58 -1.111194573e-01 -1.111194573e-01 4.60 -1.015363078e-01 -1.015363078e-01 4.62 -9.257963938e-02 -9.257963938e-02 4.64 -8.423417145e-02 -8.423417145e-02 4.66 -7.647786753e-02 -7.647786753e-02 4.68 -6.928412989e-02 -6.928412989e-02 4.70 -6.262391113e-02 -6.262391113e-02 4.72 -5.646753276e-02 -5.646753276e-02 4.74 -5.078580155e-02 -5.078580155e-02 4.76 -4.555149198e-02 -4.555149198e-02 4.78 -4.073963501e-02 -4.073963501e-02 4.80 -3.632719442e-02 -3.632719442e-02 4.82 -3.229283836e-02 -3.229283836e-02 4.84 -2.861651401e-02 -2.861651401e-02 4.86 -2.527895248e-02 -2.527895248e-02 4.88 -2.226121004e-02 -2.226121004e-02 4.90 -1.954431627e-02 -1.954431627e-02 4.92 -1.710906623e-02 -1.710906623e-02 4.94 -1.493590602e-02 -1.493590602e-02 4.96 -1.300477309e-02 -1.300477309e-02 4.98 -1.129611856e-02 -1.129611856e-02 5.00 -9.790584932e-03 -9.790584932e-03 5.02 -8.469164316e-03 -8.469164316e-03 5.04 -7.313480158e-03 -7.313480158e-03 5.06 -6.306027157e-03 -6.306027157e-03 5.08 -5.430357443e-03 -5.430357443e-03 5.10 -4.671209314e-03 -4.671209314e-03 5.12 -4.014580970e-03 -4.014580970e-03 5.14 -3.447755667e-03 -3.447755667e-03 5.16 -2.959286812e-03 -2.959286812e-03 5.18 -2.538952141e-03 -2.538952141e-03 5.20 -2.177685720e-03 -2.177685720e-03 5.22 -1.867495524e-03 -1.867495524e-03 5.24 -1.601373034e-03 -1.601373034e-03 5.26 -1.373199967e-03 -1.373199967e-03 5.28 -1.177655936e-03 -1.177655936e-03 5.30 -1.010129784e-03 -1.010129784e-03 5.32 -8.666363414e-04 -8.666363414e-04 5.34 -7.437396866e-04 -7.437396866e-04 5.36 -6.384833956e-04 -6.384833956e-04 5.38 -5.483278756e-04 -5.483278756e-04 5.40 -4.710945933e-04 -4.710945933e-04 5.42 -4.049168269e-04 -4.049168269e-04 5.44 -3.481964593e-04 -3.481964593e-04 5.46 -2.995662729e-04 -2.995662729e-04 5.48 -2.578571958e-04 -2.578571958e-04 5.50 -2.220699526e-04 -2.220699526e-04 5.52 -1.913506057e-04 -1.913506057e-04 5.54 -1.649695065e-04 -1.649695065e-04 5.56 -1.423032201e-04 -1.423032201e-04 5.58 -1.228190310e-04 -1.228190310e-04 5.60 -1.060616796e-04 -1.060616796e-04 5.62 -9.164202190e-05 -9.164202190e-05 5.64 -7.922734245e-05 -7.922734245e-05 5.66 -6.853308496e-05 -6.853308496e-05 5.68 -5.931579705e-05 -5.931579705e-05 5.70 -5.136711331e-05 -5.136711331e-05 5.72 -4.450862485e-05 -4.450862485e-05 5.74 -3.858750550e-05 -3.858750550e-05 5.76 -3.347278304e-05 -3.347278304e-05 5.78 -2.905216036e-05 -2.905216036e-05 5.80 -2.522930485e-05 -2.522930485e-05 5.82 -2.192153693e-05 -2.192153693e-05 5.84 -1.905785814e-05 -1.905785814e-05 5.86 -1.657726867e-05 -1.657726867e-05 5.88 -1.442733121e-05 -1.442733121e-05 5.90 -1.256294468e-05 -1.256294468e-05 5.92 -1.094529674e-05 -1.094529674e-05 5.94 -9.540968585e-06 -9.540968585e-06 5.96 -8.321169651e-06 -8.321169651e-06 5.98 -7.261082942e-06 -7.261082942e-06 6.00 -6.339304831e-06 -6.339304831e-06