# 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 = CuMgPt2 # 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 3.042742532e+02 3.042742532e+02 1.30 2.827867643e+02 2.827867643e+02 1.32 2.627654670e+02 2.627654670e+02 1.34 2.441105977e+02 2.441105977e+02 1.36 2.267287156e+02 2.267287156e+02 1.38 2.105294271e+02 2.105294271e+02 1.40 1.954257177e+02 1.954257177e+02 1.42 1.813358313e+02 1.813358313e+02 1.44 1.681830807e+02 1.681830807e+02 1.46 1.558956559e+02 1.558956559e+02 1.48 1.444089652e+02 1.444089652e+02 1.50 1.336673599e+02 1.336673599e+02 1.52 1.236218394e+02 1.236218394e+02 1.54 1.142255842e+02 1.142255842e+02 1.56 1.054312266e+02 1.054312266e+02 1.58 9.719089962e+01 9.719089962e+01 1.60 8.945763384e+01 8.945763384e+01 1.62 8.218686016e+01 8.218686016e+01 1.64 7.533792586e+01 7.533792586e+01 1.66 6.887571365e+01 6.887571365e+01 1.68 6.278989047e+01 6.278989047e+01 1.70 5.715891658e+01 5.715891658e+01 1.72 5.197006109e+01 5.197006109e+01 1.74 4.719630156e+01 4.719630156e+01 1.76 4.281107036e+01 4.281107036e+01 1.78 3.878680986e+01 3.878680986e+01 1.80 3.509533208e+01 3.509533208e+01 1.82 3.170923268e+01 3.170923268e+01 1.84 2.860331690e+01 2.860331690e+01 1.86 2.575528566e+01 2.575528566e+01 1.88 2.314544450e+01 2.314544450e+01 1.90 2.075569883e+01 2.075569883e+01 1.92 1.856848115e+01 1.856848115e+01 1.94 1.656626214e+01 1.656626214e+01 1.96 1.473187561e+01 1.473187561e+01 1.98 1.304929821e+01 1.304929821e+01 2.00 1.150432100e+01 1.150432100e+01 2.02 1.008477413e+01 1.008477413e+01 2.04 8.780331597e+00 8.780331597e+00 2.06 7.582112536e+00 7.582112536e+00 2.08 6.482273785e+00 6.482273785e+00 2.10 5.473689886e+00 5.473689886e+00 2.12 4.549737642e+00 4.549737642e+00 2.14 3.704179775e+00 3.704179775e+00 2.16 2.931128524e+00 2.931128524e+00 2.18 2.225062140e+00 2.225062140e+00 2.20 1.580862690e+00 1.580862690e+00 2.22 9.938454444e-01 9.938454444e-01 2.24 4.597680389e-01 4.597680389e-01 2.26 -2.518409085e-02 -2.518409085e-02 2.28 -4.644353353e-01 -4.644353353e-01 2.30 -8.610740538e-01 -8.610740538e-01 2.32 -1.217919609e+00 -1.217919609e+00 2.34 -1.537586728e+00 -1.537586728e+00 2.36 -1.822541736e+00 -1.822541736e+00 2.38 -2.075146870e+00 -2.075146870e+00 2.40 -2.297768322e+00 -2.297768322e+00 2.42 -2.494942271e+00 -2.494942271e+00 2.44 -2.669313996e+00 -2.669313996e+00 2.46 -2.822313998e+00 -2.822313998e+00 2.48 -2.955529369e+00 -2.955529369e+00 2.50 -3.070681663e+00 -3.070681663e+00 2.52 -3.169583805e+00 -3.169583805e+00 2.54 -3.254070439e+00 -3.254070439e+00 2.56 -3.325904280e+00 -3.325904280e+00 2.58 -3.386675163e+00 -3.386675163e+00 2.60 -3.437718782e+00 -3.437718782e+00 2.62 -3.480078642e+00 -3.480078642e+00 2.64 -3.514519588e+00 -3.514519588e+00 2.66 -3.541578609e+00 -3.541578609e+00 2.68 -3.561634622e+00 -3.561634622e+00 2.70 -3.574972948e+00 -3.574972948e+00 2.72 -3.581832814e+00 -3.581832814e+00 2.74 -3.582550177e+00 -3.582550177e+00 2.76 -3.577384258e+00 -3.577384258e+00 2.78 -3.566379431e+00 -3.566379431e+00 2.80 -3.549612392e+00 -3.549612392e+00 2.82 -3.527187909e+00 -3.527187909e+00 2.84 -3.499242564e+00 -3.499242564e+00 2.86 -3.465956078e+00 -3.465956078e+00 2.88 -3.427569174e+00 -3.427569174e+00 2.90 -3.384404040e+00 -3.384404040e+00 2.92 -3.336882016e+00 -3.336882016e+00 2.94 -3.285538996e+00 -3.285538996e+00 2.96 -3.231018258e+00 -3.231018258e+00 2.98 -3.174034070e+00 -3.174034070e+00 3.00 -3.115327477e+00 -3.115327477e+00 3.02 -3.055612809e+00 -3.055612809e+00 3.04 -2.995525253e+00 -2.995525253e+00 3.06 -2.935581672e+00 -2.935581672e+00 3.08 -2.876159513e+00 -2.876159513e+00 3.10 -2.817497991e+00 -2.817497991e+00 3.12 -2.759714348e+00 -2.759714348e+00 3.14 -2.702830753e+00 -2.702830753e+00 3.16 -2.646800769e+00 -2.646800769e+00 3.18 -2.591536136e+00 -2.591536136e+00 3.20 -2.536927119e+00 -2.536927119e+00 3.22 -2.482880613e+00 -2.482880613e+00 3.24 -2.429400741e+00 -2.429400741e+00 3.26 -2.376500254e+00 -2.376500254e+00 3.28 -2.324178724e+00 -2.324178724e+00 3.30 -2.272431645e+00 -2.272431645e+00 3.32 -2.221256328e+00 -2.221256328e+00 3.34 -2.170655407e+00 -2.170655407e+00 3.36 -2.120638600e+00 -2.120638600e+00 3.38 -2.071223236e+00 -2.071223236e+00 3.40 -2.022433860e+00 -2.022433860e+00 3.42 -1.974301380e+00 -1.974301380e+00 3.44 -1.926861368e+00 -1.926861368e+00 3.46 -1.880152375e+00 -1.880152375e+00 3.48 -1.834223655e+00 -1.834223655e+00 3.50 -1.789115344e+00 -1.789115344e+00 3.52 -1.744853272e+00 -1.744853272e+00 3.54 -1.701460316e+00 -1.701460316e+00 3.56 -1.658954899e+00 -1.658954899e+00 3.58 -1.617349971e+00 -1.617349971e+00 3.60 -1.576652419e+00 -1.576652419e+00 3.62 -1.536862900e+00 -1.536862900e+00 3.64 -1.497976021e+00 -1.497976021e+00 3.66 -1.459980851e+00 -1.459980851e+00 3.68 -1.422859572e+00 -1.422859572e+00 3.70 -1.386577327e+00 -1.386577327e+00 3.72 -1.351092602e+00 -1.351092602e+00 3.74 -1.316365175e+00 -1.316365175e+00 3.76 -1.282357076e+00 -1.282357076e+00 3.78 -1.249033570e+00 -1.249033570e+00 3.80 -1.216363979e+00 -1.216363979e+00 3.82 -1.184322196e+00 -1.184322196e+00 3.84 -1.152886818e+00 -1.152886818e+00 3.86 -1.122040839e+00 -1.122040839e+00 3.88 -1.091770951e+00 -1.091770951e+00 3.90 -1.062066589e+00 -1.062066589e+00 3.92 -1.032918806e+00 -1.032918806e+00 3.94 -1.004319734e+00 -1.004319734e+00 3.96 -9.762614614e-01 -9.762614614e-01 3.98 -9.487363050e-01 -9.487363050e-01 4.00 -9.217370590e-01 -9.217370590e-01 4.02 -8.952577494e-01 -8.952577494e-01 4.04 -8.692946462e-01 -8.692946462e-01 4.06 -8.438473342e-01 -8.438473342e-01 4.08 -8.189196255e-01 -8.189196255e-01 4.10 -7.945199584e-01 -7.945199584e-01 4.12 -7.706620232e-01 -7.706620232e-01 4.14 -7.473631293e-01 -7.473631293e-01 4.16 -7.246435951e-01 -7.246435951e-01 4.18 -7.025246627e-01 -7.025246627e-01 4.20 -6.810262136e-01 -6.810262136e-01 4.22 -6.601643731e-01 -6.601643731e-01 4.24 -6.399493169e-01 -6.399493169e-01 4.26 -6.203835666e-01 -6.203835666e-01 4.28 -6.014609761e-01 -6.014609761e-01 4.30 -5.831664870e-01 -5.831664870e-01 4.32 -5.654765981e-01 -5.654765981e-01 4.34 -5.483603878e-01 -5.483603878e-01 4.36 -5.317808669e-01 -5.317808669e-01 4.38 -5.156964350e-01 -5.156964350e-01 4.40 -5.000622451e-01 -5.000622451e-01 4.42 -4.848313532e-01 -4.848313532e-01 4.44 -4.699555932e-01 -4.699555932e-01 4.46 -4.553861924e-01 -4.553861924e-01 4.48 -4.410741827e-01 -4.410741827e-01 4.50 -4.269706977e-01 -4.269706977e-01 4.52 -4.130272497e-01 -4.130272497e-01 4.54 -3.991960776e-01 -3.991960776e-01 4.56 -3.854306407e-01 -3.854306407e-01 4.58 -3.716863108e-01 -3.716863108e-01 4.60 -3.579212961e-01 -3.579212961e-01 4.62 -3.440978056e-01 -3.440978056e-01 4.64 -3.301834421e-01 -3.301834421e-01 4.66 -3.161527838e-01 -3.161527838e-01 4.68 -3.019890880e-01 -3.019890880e-01 4.70 -2.876860173e-01 -2.876860173e-01 4.72 -2.732492523e-01 -2.732492523e-01 4.74 -2.586978270e-01 -2.586978270e-01 4.76 -2.440649984e-01 -2.440649984e-01 4.78 -2.293984623e-01 -2.293984623e-01 4.80 -2.147595726e-01 -2.147595726e-01 4.82 -2.002225467e-01 -2.002225467e-01 4.84 -1.858708341e-01 -1.858708341e-01 4.86 -1.717945888e-01 -1.717945888e-01 4.88 -1.580864730e-01 -1.580864730e-01 4.90 -1.448373324e-01 -1.448373324e-01 4.92 -1.321318993e-01 -1.321318993e-01 4.94 -1.200449073e-01 -1.200449073e-01 4.96 -1.086379501e-01 -1.086379501e-01 4.98 -9.795732222e-02 -9.795732222e-02 5.00 -8.803295976e-02 -8.803295976e-02 5.02 -7.887845683e-02 -7.887845683e-02 5.04 -7.049202911e-02 -7.049202911e-02 5.06 -6.285821650e-02 -6.285821650e-02 5.08 -5.595007624e-02 -5.595007624e-02 5.10 -4.973161890e-02 -4.973161890e-02 5.12 -4.416026957e-02 -4.416026957e-02 5.14 -3.918918397e-02 -3.918918397e-02 5.16 -3.476930478e-02 -3.476930478e-02 5.18 -3.085109379e-02 -3.085109379e-02 5.20 -2.738588986e-02 -2.738588986e-02 5.22 -2.432697223e-02 -2.432697223e-02 5.24 -2.163029736e-02 -2.163029736e-02 5.26 -1.925472517e-02 -1.925472517e-02 5.28 -1.716199433e-02 -1.716199433e-02 5.30 -1.531880671e-02 -1.531880671e-02 5.32 -1.369503409e-02 -1.369503409e-02 5.34 -1.226358808e-02 -1.226358808e-02 5.36 -1.100060893e-02 -1.100060893e-02 5.38 -9.885012270e-03 -9.885012270e-03 5.40 -8.898230575e-03 -8.898230575e-03 5.42 -8.024075146e-03 -8.024075146e-03 5.44 -7.248494494e-03 -7.248494494e-03 5.46 -6.559330977e-03 -6.559330977e-03 5.48 -5.946084524e-03 -5.946084524e-03 5.50 -5.399689562e-03 -5.399689562e-03 5.52 -4.912309395e-03 -4.912309395e-03 5.54 -4.477150925e-03 -4.477150925e-03 5.56 -4.088301470e-03 -4.088301470e-03 5.58 -3.740588270e-03 -3.740588270e-03 5.60 -3.429460300e-03 -3.429460300e-03 5.62 -3.150890974e-03 -3.150890974e-03 5.64 -2.901299593e-03 -2.901299593e-03 5.66 -2.677488846e-03 -2.677488846e-03 5.68 -2.476595462e-03 -2.476595462e-03 5.70 -2.296051145e-03 -2.296051145e-03 5.72 -2.133551216e-03 -2.133551216e-03 5.74 -1.987028791e-03 -1.987028791e-03 5.76 -1.854632805e-03 -1.854632805e-03 5.78 -1.734708641e-03 -1.734708641e-03 5.80 -1.625780566e-03 -1.625780566e-03 5.82 -1.526535447e-03 -1.526535447e-03 5.84 -1.435807505e-03 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