# 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 = AuPb2Ta # 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 4.863981051e+02 4.863981051e+02 1.30 4.547094194e+02 4.547094194e+02 1.32 4.252196899e+02 4.252196899e+02 1.34 3.977566232e+02 3.977566232e+02 1.36 3.721579744e+02 3.721579744e+02 1.38 3.482730926e+02 3.482730926e+02 1.40 3.259647217e+02 3.259647217e+02 1.42 3.051098583e+02 3.051098583e+02 1.44 2.855997280e+02 2.855997280e+02 1.46 2.673391190e+02 2.673391190e+02 1.48 2.502448795e+02 2.502448795e+02 1.50 2.342433909e+02 2.342433909e+02 1.52 2.192673816e+02 2.192673816e+02 1.54 2.052530302e+02 2.052530302e+02 1.56 1.921381376e+02 1.921381376e+02 1.58 1.798616533e+02 1.798616533e+02 1.60 1.683642755e+02 1.683642755e+02 1.62 1.575895552e+02 1.575895552e+02 1.64 1.474848615e+02 1.474848615e+02 1.66 1.380018823e+02 1.380018823e+02 1.68 1.290966045e+02 1.290966045e+02 1.70 1.207289090e+02 1.207289090e+02 1.72 1.128620620e+02 1.128620620e+02 1.74 1.054622645e+02 1.054622645e+02 1.76 9.849832949e+01 9.849832949e+01 1.78 9.194140234e+01 9.194140234e+01 1.80 8.576653759e+01 8.576653759e+01 1.82 7.995180764e+01 7.995180764e+01 1.84 7.448121695e+01 7.448121695e+01 1.86 6.933708409e+01 6.933708409e+01 1.88 6.450747796e+01 6.450747796e+01 1.90 5.997732968e+01 5.997732968e+01 1.92 5.572859906e+01 5.572859906e+01 1.94 5.174510341e+01 5.174510341e+01 1.96 4.801227246e+01 4.801227246e+01 1.98 4.451683622e+01 4.451683622e+01 2.00 4.124645097e+01 4.124645097e+01 2.02 3.818930567e+01 3.818930567e+01 2.04 3.533378045e+01 3.533378045e+01 2.06 3.266824349e+01 3.266824349e+01 2.08 3.018103050e+01 3.018103050e+01 2.10 2.786057337e+01 2.786057337e+01 2.12 2.569561523e+01 2.569561523e+01 2.14 2.367542136e+01 2.367542136e+01 2.16 2.178992873e+01 2.178992873e+01 2.18 2.002981650e+01 2.002981650e+01 2.20 1.838649982e+01 1.838649982e+01 2.22 1.685208393e+01 1.685208393e+01 2.24 1.541929470e+01 1.541929470e+01 2.26 1.408140476e+01 1.408140476e+01 2.28 1.283216678e+01 1.283216678e+01 2.30 1.166574662e+01 1.166574662e+01 2.32 1.057667483e+01 1.057667483e+01 2.34 9.559809745e+00 9.559809745e+00 2.36 8.610314520e+00 8.610314520e+00 2.38 7.723648253e+00 7.723648253e+00 2.40 6.895565301e+00 6.895565301e+00 2.42 6.122118650e+00 6.122118650e+00 2.44 5.399659580e+00 5.399659580e+00 2.46 4.724834622e+00 4.724834622e+00 2.48 4.094665442e+00 4.094665442e+00 2.50 3.506335723e+00 3.506335723e+00 2.52 2.957164142e+00 2.957164142e+00 2.54 2.444725983e+00 2.444725983e+00 2.56 1.966817037e+00 1.966817037e+00 2.58 1.521418279e+00 1.521418279e+00 2.60 1.106662981e+00 1.106662981e+00 2.62 7.208110481e-01 7.208110481e-01 2.64 3.623204870e-01 3.623204870e-01 2.66 2.983315249e-02 2.983315249e-02 2.68 -2.779832477e-01 -2.779832477e-01 2.70 -5.624361503e-01 -5.624361503e-01 2.72 -8.247991597e-01 -8.247991597e-01 2.74 -1.066304170e+00 -1.066304170e+00 2.76 -1.288135113e+00 -1.288135113e+00 2.78 -1.491423530e+00 -1.491423530e+00 2.80 -1.677246252e+00 -1.677246252e+00 2.82 -1.846624197e+00 -1.846624197e+00 2.84 -2.000523022e+00 -2.000523022e+00 2.86 -2.139854571e+00 -2.139854571e+00 2.88 -2.265479116e+00 -2.265479116e+00 2.90 -2.378236937e+00 -2.378236937e+00 2.92 -2.478937909e+00 -2.478937909e+00 2.94 -2.568238780e+00 -2.568238780e+00 2.96 -2.646763582e+00 -2.646763582e+00 2.98 -2.715111304e+00 -2.715111304e+00 3.00 -2.773857282e+00 -2.773857282e+00 3.02 -2.823554649e+00 -2.823554649e+00 3.04 -2.864735326e+00 -2.864735326e+00 3.06 -2.897911908e+00 -2.897911908e+00 3.08 -2.923569724e+00 -2.923569724e+00 3.10 -2.942172995e+00 -2.942172995e+00 3.12 -2.954169212e+00 -2.954169212e+00 3.14 -2.959996213e+00 -2.959996213e+00 3.16 -2.960075955e+00 -2.960075955e+00 3.18 -2.954822876e+00 -2.954822876e+00 3.20 -2.944644371e+00 -2.944644371e+00 3.22 -2.929942177e+00 -2.929942177e+00 3.24 -2.911112922e+00 -2.911112922e+00 3.26 -2.888547913e+00 -2.888547913e+00 3.28 -2.862632296e+00 -2.862632296e+00 3.30 -2.833743550e+00 -2.833743550e+00 3.32 -2.802249117e+00 -2.802249117e+00 3.34 -2.768502950e+00 -2.768502950e+00 3.36 -2.732840942e+00 -2.732840942e+00 3.38 -2.695575535e+00 -2.695575535e+00 3.40 -2.656989946e+00 -2.656989946e+00 3.42 -2.617336443e+00 -2.617336443e+00 3.44 -2.576891996e+00 -2.576891996e+00 3.46 -2.535801101e+00 -2.535801101e+00 3.48 -2.494130288e+00 -2.494130288e+00 3.50 -2.451920390e+00 -2.451920390e+00 3.52 -2.409188469e+00 -2.409188469e+00 3.54 -2.365931155e+00 -2.365931155e+00 3.56 -2.322128983e+00 -2.322128983e+00 3.58 -2.277750681e+00 -2.277750681e+00 3.60 -2.232741798e+00 -2.232741798e+00 3.62 -2.187026430e+00 -2.187026430e+00 3.64 -2.140536322e+00 -2.140536322e+00 3.66 -2.093217707e+00 -2.093217707e+00 3.68 -2.045036750e+00 -2.045036750e+00 3.70 -1.995984746e+00 -1.995984746e+00 3.72 -1.946082676e+00 -1.946082676e+00 3.74 -1.895384698e+00 -1.895384698e+00 3.76 -1.843980092e+00 -1.843980092e+00 3.78 -1.791993295e+00 -1.791993295e+00 3.80 -1.739581780e+00 -1.739581780e+00 3.82 -1.686931728e+00 -1.686931728e+00 3.84 -1.634251702e+00 -1.634251702e+00 3.86 -1.581764714e+00 -1.581764714e+00 3.88 -1.529699289e+00 -1.529699289e+00 3.90 -1.478280240e+00 -1.478280240e+00 3.92 -1.427719183e+00 -1.427719183e+00 3.94 -1.378209770e+00 -1.378209770e+00 3.96 -1.329917141e+00 -1.329917141e+00 3.98 -1.282977073e+00 -1.282977073e+00 4.00 -1.237493195e+00 -1.237493195e+00 4.02 -1.193537015e+00 -1.193537015e+00 4.04 -1.151149619e+00 -1.151149619e+00 4.06 -1.110344679e+00 -1.110344679e+00 4.08 -1.071112321e+00 -1.071112321e+00 4.10 -1.033421082e+00 -1.033421082e+00 4.12 -9.972322697e-01 -9.972322697e-01 4.14 -9.624886122e-01 -9.624886122e-01 4.16 -9.291291072e-01 -9.291291072e-01 4.18 -8.970895027e-01 -8.970895027e-01 4.20 -8.663051032e-01 -8.663051032e-01 4.22 -8.367129655e-01 -8.367129655e-01 4.24 -8.082534821e-01 -8.082534821e-01 4.26 -7.808713750e-01 -7.808713750e-01 4.28 -7.545161415e-01 -7.545161415e-01 4.30 -7.291420179e-01 -7.291420179e-01 4.32 -7.047075500e-01 -7.047075500e-01 4.34 -6.811748794e-01 -6.811748794e-01 4.36 -6.585088700e-01 -6.585088700e-01 4.38 -6.366762022e-01 -6.366762022e-01 4.40 -6.156445469e-01 -6.156445469e-01 4.42 -5.953819064e-01 -5.953819064e-01 4.44 -5.758561735e-01 -5.758561735e-01 4.46 -5.570349168e-01 -5.570349168e-01 4.48 -5.388853721e-01 -5.388853721e-01 4.50 -5.213745924e-01 -5.213745924e-01 4.52 -5.044696999e-01 -5.044696999e-01 4.54 -4.881381856e-01 -4.881381856e-01 4.56 -4.723482110e-01 -4.723482110e-01 4.58 -4.570688783e-01 -4.570688783e-01 4.60 -4.422704552e-01 -4.422704552e-01 4.62 -4.279245464e-01 -4.279245464e-01 4.64 -4.140042191e-01 -4.140042191e-01 4.66 -4.004840923e-01 -4.004840923e-01 4.68 -3.873404028e-01 -3.873404028e-01 4.70 -3.745510626e-01 -3.745510626e-01 4.72 -3.620957167e-01 -3.620957167e-01 4.74 -3.499558128e-01 -3.499558128e-01 4.76 -3.381146831e-01 -3.381146831e-01 4.78 -3.265576408e-01 -3.265576408e-01 4.80 -3.152705658e-01 -3.152705658e-01 4.82 -3.042463133e-01 -3.042463133e-01 4.84 -2.934749332e-01 -2.934749332e-01 4.86 -2.829505861e-01 -2.829505861e-01 4.88 -2.726697256e-01 -2.726697256e-01 4.90 -2.626310081e-01 -2.626310081e-01 4.92 -2.528351100e-01 -2.528351100e-01 4.94 -2.432844469e-01 -2.432844469e-01 4.96 -2.339827985e-01 -2.339827985e-01 4.98 -2.249348531e-01 -2.249348531e-01 5.00 -2.161457030e-01 -2.161457030e-01 5.02 -2.076203263e-01 -2.076203263e-01 5.04 -1.993630991e-01 -1.993630991e-01 5.06 -1.913773808e-01 -1.913773808e-01 5.08 -1.836652077e-01 -1.836652077e-01 5.10 -1.762271107e-01 -1.762271107e-01 5.12 -1.690620731e-01 -1.690620731e-01 5.14 -1.621676136e-01 -1.621676136e-01 5.16 -1.555399679e-01 -1.555399679e-01 5.18 -1.491743361e-01 -1.491743361e-01 5.20 -1.430651572e-01 -1.430651572e-01 5.22 -1.372063675e-01 -1.372063675e-01 5.24 -1.315916244e-01 -1.315916244e-01 5.26 -1.262144667e-01 -1.262144667e-01 5.28 -1.210684054e-01 -1.210684054e-01 5.30 -1.161469450e-01 -1.161469450e-01 5.32 -1.114433719e-01 -1.114433719e-01 5.34 -1.069502678e-01 -1.069502678e-01 5.36 -1.026611547e-01 -1.026611547e-01 5.38 -9.856926957e-02 -9.856926957e-02 5.40 -9.466733293e-02 -9.466733293e-02 5.42 -9.094754168e-02 -9.094754168e-02 5.44 -8.740159351e-02 -8.740159351e-02 5.46 -8.402074357e-02 -8.402074357e-02 5.48 -8.079588889e-02 -8.079588889e-02 5.50 -7.771767279e-02 -7.771767279e-02 5.52 -7.477660053e-02 -7.477660053e-02 5.54 -7.196315719e-02 -7.196315719e-02 5.56 -6.926792032e-02 -6.926792032e-02 5.58 -6.668166164e-02 -6.668166164e-02 5.60 -6.419543434e-02 -6.419543434e-02 5.62 -6.180064445e-02 -6.180064445e-02 5.64 -5.948910668e-02 -5.948910668e-02 5.66 -5.725308610e-02 -5.725308610e-02 5.68 -5.508532813e-02 -5.508532813e-02 5.70 -5.297907974e-02 -5.297907974e-02 5.72 -5.092810452e-02 -5.092810452e-02 5.74 -4.892669453e-02 -4.892669453e-02 5.76 -4.696968125e-02 -4.696968125e-02 5.78 -4.505244745e-02 -4.505244745e-02 5.80 -4.317094019e-02 -4.317094019e-02 5.82 -4.132168748e-02 -4.132168748e-02 5.84 -3.950181692e-02 -3.950181692e-02 5.86 -3.770907558e-02 -3.770907558e-02 5.88 -3.594184968e-02 -3.594184968e-02 5.90 -3.419918162e-02 -3.419918162e-02 5.92 -3.248078142e-02 -3.248078142e-02 5.94 -3.078702944e-02 -3.078702944e-02 5.96 -2.911896681e-02 -2.911896681e-02 5.98 -2.747827105e-02 -2.747827105e-02 6.00 -2.586721190e-02 -2.586721190e-02