# 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 = MgPt2Zr # 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 4.615500209e+02 4.615500209e+02 1.30 4.310802617e+02 4.310802617e+02 1.32 4.026688343e+02 4.026688343e+02 1.34 3.761597985e+02 3.761597985e+02 1.36 3.514122632e+02 3.514122632e+02 1.38 3.282986742e+02 3.282986742e+02 1.40 3.067028431e+02 3.067028431e+02 1.42 2.865192466e+02 2.865192466e+02 1.44 2.676506565e+02 2.676506565e+02 1.46 2.500045065e+02 2.500045065e+02 1.48 2.334921292e+02 2.334921292e+02 1.50 2.180311278e+02 2.180311278e+02 1.52 2.035470678e+02 2.035470678e+02 1.54 1.899722240e+02 1.899722240e+02 1.56 1.772432012e+02 1.772432012e+02 1.58 1.652987642e+02 1.652987642e+02 1.60 1.540791084e+02 1.540791084e+02 1.62 1.435264953e+02 1.435264953e+02 1.64 1.335871846e+02 1.335871846e+02 1.66 1.242135581e+02 1.242135581e+02 1.68 1.153657083e+02 1.153657083e+02 1.70 1.070115426e+02 1.070115426e+02 1.72 9.912516690e+01 9.912516690e+01 1.74 9.168393499e+01 9.168393499e+01 1.76 8.466537443e+01 8.466537443e+01 1.78 7.804538130e+01 7.804538130e+01 1.80 7.179853150e+01 7.179853150e+01 1.82 6.590004816e+01 6.590004816e+01 1.84 6.032794777e+01 6.032794777e+01 1.86 5.506435332e+01 5.506435332e+01 1.88 5.016106120e+01 5.016106120e+01 1.90 4.564381502e+01 4.564381502e+01 1.92 4.148591391e+01 4.148591391e+01 1.94 3.765992528e+01 3.765992528e+01 1.96 3.413812615e+01 3.413812615e+01 1.98 3.089372548e+01 3.089372548e+01 2.00 2.790207559e+01 2.790207559e+01 2.02 2.514130058e+01 2.514130058e+01 2.04 2.259232977e+01 2.259232977e+01 2.06 2.023858282e+01 2.023858282e+01 2.08 1.806552334e+01 1.806552334e+01 2.10 1.606023191e+01 1.606023191e+01 2.12 1.421094017e+01 1.421094017e+01 2.14 1.250667122e+01 1.250667122e+01 2.16 1.093698357e+01 1.093698357e+01 2.18 9.491885100e+00 9.491885100e+00 2.20 8.161897537e+00 8.161897537e+00 2.22 6.938163860e+00 6.938163860e+00 2.24 5.812542172e+00 5.812542172e+00 2.26 4.777649973e+00 4.777649973e+00 2.28 3.826844565e+00 3.826844565e+00 2.30 2.954195478e+00 2.954195478e+00 2.32 2.154405174e+00 2.154405174e+00 2.34 1.422703174e+00 1.422703174e+00 2.36 7.547554323e-01 7.547554323e-01 2.38 1.465568321e-01 1.465568321e-01 2.40 -4.056672140e-01 -4.056672140e-01 2.42 -9.055539557e-01 -9.055539557e-01 2.44 -1.356673149e+00 -1.356673149e+00 2.46 -1.762582259e+00 -1.762582259e+00 2.48 -2.126847629e+00 -2.126847629e+00 2.50 -2.453035706e+00 -2.453035706e+00 2.52 -2.744674486e+00 -2.744674486e+00 2.54 -3.005186843e+00 -3.005186843e+00 2.56 -3.237801237e+00 -3.237801237e+00 2.58 -3.445455489e+00 -3.445455489e+00 2.60 -3.630719047e+00 -3.630719047e+00 2.62 -3.795798242e+00 -3.795798242e+00 2.64 -3.942482291e+00 -3.942482291e+00 2.66 -4.072149971e+00 -4.072149971e+00 2.68 -4.186020974e+00 -4.186020974e+00 2.70 -4.286829102e+00 -4.286829102e+00 2.72 -4.375745002e+00 -4.375745002e+00 2.74 -4.453051335e+00 -4.453051335e+00 2.76 -4.519063380e+00 -4.519063380e+00 2.78 -4.574122474e+00 -4.574122474e+00 2.80 -4.618540002e+00 -4.618540002e+00 2.82 -4.652587475e+00 -4.652587475e+00 2.84 -4.676576551e+00 -4.676576551e+00 2.86 -4.690860237e+00 -4.690860237e+00 2.88 -4.695838125e+00 -4.695838125e+00 2.90 -4.691966215e+00 -4.691966215e+00 2.92 -4.679767640e+00 -4.679767640e+00 2.94 -4.659839473e+00 -4.659839473e+00 2.96 -4.632850542e+00 -4.632850542e+00 2.98 -4.599526660e+00 -4.599526660e+00 3.00 -4.560622931e+00 -4.560622931e+00 3.02 -4.516887112e+00 -4.516887112e+00 3.04 -4.469019279e+00 -4.469019279e+00 3.06 -4.417649107e+00 -4.417649107e+00 3.08 -4.363302636e+00 -4.363302636e+00 3.10 -4.306408132e+00 -4.306408132e+00 3.12 -4.247298413e+00 -4.247298413e+00 3.14 -4.186239420e+00 -4.186239420e+00 3.16 -4.123429546e+00 -4.123429546e+00 3.18 -4.059032666e+00 -4.059032666e+00 3.20 -3.993190759e+00 -3.993190759e+00 3.22 -3.926037486e+00 -3.926037486e+00 3.24 -3.857708989e+00 -3.857708989e+00 3.26 -3.788351821e+00 -3.788351821e+00 3.28 -3.718127473e+00 -3.718127473e+00 3.30 -3.647212696e+00 -3.647212696e+00 3.32 -3.575795293e+00 -3.575795293e+00 3.34 -3.504066103e+00 -3.504066103e+00 3.36 -3.432209073e+00 -3.432209073e+00 3.38 -3.360391985e+00 -3.360391985e+00 3.40 -3.288759118e+00 -3.288759118e+00 3.42 -3.217432444e+00 -3.217432444e+00 3.44 -3.146506792e+00 -3.146506792e+00 3.46 -3.076057603e+00 -3.076057603e+00 3.48 -3.006144287e+00 -3.006144287e+00 3.50 -2.936814436e+00 -2.936814436e+00 3.52 -2.868107074e+00 -2.868107074e+00 3.54 -2.800054710e+00 -2.800054710e+00 3.56 -2.732684327e+00 -2.732684327e+00 3.58 -2.666017598e+00 -2.666017598e+00 3.60 -2.600071463e+00 -2.600071463e+00 3.62 -2.534895161e+00 -2.534895161e+00 3.64 -2.470578232e+00 -2.470578232e+00 3.66 -2.407192325e+00 -2.407192325e+00 3.68 -2.344789067e+00 -2.344789067e+00 3.70 -2.283402859e+00 -2.283402859e+00 3.72 -2.223063697e+00 -2.223063697e+00 3.74 -2.163783076e+00 -2.163783076e+00 3.76 -2.105553044e+00 -2.105553044e+00 3.78 -2.048363619e+00 -2.048363619e+00 3.80 -1.992205774e+00 -1.992205774e+00 3.82 -1.937073894e+00 -1.937073894e+00 3.84 -1.882967331e+00 -1.882967331e+00 3.86 -1.829890805e+00 -1.829890805e+00 3.88 -1.777853566e+00 -1.777853566e+00 3.90 -1.726867512e+00 -1.726867512e+00 3.92 -1.676941944e+00 -1.676941944e+00 3.94 -1.628074759e+00 -1.628074759e+00 3.96 -1.580253522e+00 -1.580253522e+00 3.98 -1.533465063e+00 -1.533465063e+00 4.00 -1.487694401e+00 -1.487694401e+00 4.02 -1.442926012e+00 -1.442926012e+00 4.04 -1.399145918e+00 -1.399145918e+00 4.06 -1.356344138e+00 -1.356344138e+00 4.08 -1.314516983e+00 -1.314516983e+00 4.10 -1.273665147e+00 -1.273665147e+00 4.12 -1.233809627e+00 -1.233809627e+00 4.14 -1.194967241e+00 -1.194967241e+00 4.16 -1.157166039e+00 -1.157166039e+00 4.18 -1.120437964e+00 -1.120437964e+00 4.20 -1.084815254e+00 -1.084815254e+00 4.22 -1.050326412e+00 -1.050326412e+00 4.24 -1.016992259e+00 -1.016992259e+00 4.26 -9.848225637e-01 -9.848225637e-01 4.28 -9.538136546e-01 -9.538136546e-01 4.30 -9.239472378e-01 -9.239472378e-01 4.32 -8.951904558e-01 -8.951904558e-01 4.34 -8.674970280e-01 -8.674970280e-01 4.36 -8.408091877e-01 -8.408091877e-01 4.38 -8.150600719e-01 -8.150600719e-01 4.40 -7.901762383e-01 -7.901762383e-01 4.42 -7.660800457e-01 -7.660800457e-01 4.44 -7.426917292e-01 -7.426917292e-01 4.46 -7.199310893e-01 -7.199310893e-01 4.48 -6.977187955e-01 -6.977187955e-01 4.50 -6.759773608e-01 -6.759773608e-01 4.52 -6.546318759e-01 -6.546318759e-01 4.54 -6.336106109e-01 -6.336106109e-01 4.56 -6.128455899e-01 -6.128455899e-01 4.58 -5.922732357e-01 -5.922732357e-01 4.60 -5.718351640e-01 -5.718351640e-01 4.62 -5.514791834e-01 -5.514791834e-01 4.64 -5.311605264e-01 -5.311605264e-01 4.66 -5.108433044e-01 -5.108433044e-01 4.68 -4.905021335e-01 -4.905021335e-01 4.70 -4.701238362e-01 -4.701238362e-01 4.72 -4.497090752e-01 -4.497090752e-01 4.74 -4.292737331e-01 -4.292737331e-01 4.76 -4.088498260e-01 -4.088498260e-01 4.78 -3.884857274e-01 -3.884857274e-01 4.80 -3.682423086e-01 -3.682423086e-01 4.82 -3.482046117e-01 -3.482046117e-01 4.84 -3.284582122e-01 -3.284582122e-01 4.86 -3.091001586e-01 -3.091001586e-01 4.88 -2.902307056e-01 -2.902307056e-01 4.90 -2.719484984e-01 -2.719484984e-01 4.92 -2.543457653e-01 -2.543457653e-01 4.94 -2.375039438e-01 -2.375039438e-01 4.96 -2.214901152e-01 -2.214901152e-01 4.98 -2.063545168e-01 -2.063545168e-01 5.00 -1.921292665e-01 -1.921292665e-01 5.02 -1.788282856e-01 -1.788282856e-01 5.04 -1.664482833e-01 -1.664482833e-01 5.06 -1.549705768e-01 -1.549705768e-01 5.08 -1.443634748e-01 -1.443634748e-01 5.10 -1.345849538e-01 -1.345849538e-01 5.12 -1.255853874e-01 -1.255853874e-01 5.14 -1.173101379e-01 -1.173101379e-01 5.16 -1.097018823e-01 -1.097018823e-01 5.18 -1.027025975e-01 -1.027025975e-01 5.20 -9.625518166e-02 -9.625518166e-02 5.22 -9.030471886e-02 -9.030471886e-02 5.24 -8.479942080e-02 -8.479942080e-02 5.26 -7.969129310e-02 -7.969129310e-02 5.28 -7.493657194e-02 -7.493657194e-02 5.30 -7.049597728e-02 -7.049597728e-02 5.32 -6.633474151e-02 -6.633474151e-02 5.34 -6.242265812e-02 -6.242265812e-02 5.36 -5.873422403e-02 -5.873422403e-02 5.38 -5.524818352e-02 -5.524818352e-02 5.40 -5.194727111e-02 -5.194727111e-02 5.42 -4.881788024e-02 -4.881788024e-02 5.44 -4.584965234e-02 -4.584965234e-02 5.46 -4.303499530e-02 -4.303499530e-02 5.48 -4.036854847e-02 -4.036854847e-02 5.50 -3.784661042e-02 -3.784661042e-02 5.52 -3.546655672e-02 -3.546655672e-02 5.54 -3.322630154e-02 -3.322630154e-02 5.56 -3.112381226e-02 -3.112381226e-02 5.58 -2.915671205e-02 -2.915671205e-02 5.60 -2.732196384e-02 -2.732196384e-02 5.62 -2.561507053e-02 -2.561507053e-02 5.64 -2.403148117e-02 -2.403148117e-02 5.66 -2.256608274e-02 -2.256608274e-02 5.68 -2.121284883e-02 -2.121284883e-02 5.70 -1.996504263e-02 -1.996504263e-02 5.72 -1.881543909e-02 -1.881543909e-02 5.74 -1.775654438e-02 -1.775654438e-02 5.76 -1.678079659e-02 -1.678079659e-02 5.78 -1.588073741e-02 -1.588073741e-02 5.80 -1.504915002e-02 -1.504915002e-02 5.82 -1.427916236e-02 -1.427916236e-02 5.84 -1.356431819e-02 -1.356431819e-02 5.86 -1.289862015e-02 -1.289862015e-02 5.88 -1.227654978e-02 -1.227654978e-02 5.90 -1.169306971e-02 -1.169306971e-02 5.92 -1.114361301e-02 -1.114361301e-02 5.94 -1.062406388e-02 -1.062406388e-02 5.96 -1.013073334e-02 -1.013073334e-02 5.98 -9.660332908e-03 -9.660332908e-03 6.00 -9.209948232e-03 -9.209948232e-03