# 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 = AlNiTi2 # 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 1.642369943e+02 1.642369943e+02 1.30 1.518997322e+02 1.518997322e+02 1.32 1.404901002e+02 1.404901002e+02 1.34 1.299310526e+02 1.299310526e+02 1.36 1.201528239e+02 1.201528239e+02 1.38 1.110940000e+02 1.110940000e+02 1.40 1.027001767e+02 1.027001767e+02 1.42 9.492157104e+01 9.492157104e+01 1.44 8.771128254e+01 8.771128254e+01 1.46 8.102476827e+01 8.102476827e+01 1.48 7.482023672e+01 7.482023672e+01 1.50 6.905940146e+01 6.905940146e+01 1.52 6.370794924e+01 6.370794924e+01 1.54 5.873538104e+01 5.873538104e+01 1.56 5.411439118e+01 5.411439118e+01 1.58 4.982010280e+01 4.982010280e+01 1.60 4.582942659e+01 4.582942659e+01 1.62 4.212071951e+01 4.212071951e+01 1.64 3.867367528e+01 3.867367528e+01 1.66 3.546922303e+01 3.546922303e+01 1.68 3.248940792e+01 3.248940792e+01 1.70 2.971742085e+01 2.971742085e+01 1.72 2.713780128e+01 2.713780128e+01 1.74 2.473688444e+01 2.473688444e+01 1.76 2.250228417e+01 2.250228417e+01 1.78 2.042263528e+01 2.042263528e+01 1.80 1.848883423e+01 1.848883423e+01 1.82 1.669200825e+01 1.669200825e+01 1.84 1.502328246e+01 1.502328246e+01 1.86 1.347452667e+01 1.347452667e+01 1.88 1.203813374e+01 1.203813374e+01 1.90 1.070676789e+01 1.070676789e+01 1.92 9.473186000e+00 9.473186000e+00 1.94 8.330206043e+00 8.330206043e+00 1.96 7.270834345e+00 7.270834345e+00 1.98 6.288485994e+00 6.288485994e+00 2.00 5.377181636e+00 5.377181636e+00 2.02 4.531630811e+00 4.531630811e+00 2.04 3.747192588e+00 3.747192588e+00 2.06 3.019767180e+00 3.019767180e+00 2.08 2.345681728e+00 2.345681728e+00 2.10 1.721603354e+00 1.721603354e+00 2.12 1.144476473e+00 1.144476473e+00 2.14 6.114693556e-01 6.114693556e-01 2.16 1.199242372e-01 1.199242372e-01 2.18 -3.326861741e-01 -3.326861741e-01 2.20 -7.487921132e-01 -7.487921132e-01 2.22 -1.130750719e+00 -1.130750719e+00 2.24 -1.480859130e+00 -1.480859130e+00 2.26 -1.801354030e+00 -1.801354030e+00 2.28 -2.094397018e+00 -2.094397018e+00 2.30 -2.362049397e+00 -2.362049397e+00 2.32 -2.606245554e+00 -2.606245554e+00 2.34 -2.828767679e+00 -2.828767679e+00 2.36 -3.031226463e+00 -3.031226463e+00 2.38 -3.215050961e+00 -3.215050961e+00 2.40 -3.381494290e+00 -3.381494290e+00 2.42 -3.531657874e+00 -3.531657874e+00 2.44 -3.666529398e+00 -3.666529398e+00 2.46 -3.787025114e+00 -3.787025114e+00 2.48 -3.894025809e+00 -3.894025809e+00 2.50 -3.988400083e+00 -3.988400083e+00 2.52 -4.071013819e+00 -4.071013819e+00 2.54 -4.142729155e+00 -4.142729155e+00 2.56 -4.204398070e+00 -4.204398070e+00 2.58 -4.256854286e+00 -4.256854286e+00 2.60 -4.300985588e+00 -4.300985588e+00 2.62 -4.337561348e+00 -4.337561348e+00 2.64 -4.367181283e+00 -4.367181283e+00 2.66 -4.390409552e+00 -4.390409552e+00 2.68 -4.407762353e+00 -4.407762353e+00 2.70 -4.419701404e+00 -4.419701404e+00 2.72 -4.426636908e+00 -4.426636908e+00 2.74 -4.428936147e+00 -4.428936147e+00 2.76 -4.426888810e+00 -4.426888810e+00 2.78 -4.420605837e+00 -4.420605837e+00 2.80 -4.410180863e+00 -4.410180863e+00 2.82 -4.395728784e+00 -4.395728784e+00 2.84 -4.377664824e+00 -4.377664824e+00 2.86 -4.356551068e+00 -4.356551068e+00 2.88 -4.332202000e+00 -4.332202000e+00 2.90 -4.304475498e+00 -4.304475498e+00 2.92 -4.273299810e+00 -4.273299810e+00 2.94 -4.238665197e+00 -4.238665197e+00 2.96 -4.200617945e+00 -4.200617945e+00 2.98 -4.159257287e+00 -4.159257287e+00 3.00 -4.114736309e+00 -4.114736309e+00 3.02 -4.067273311e+00 -4.067273311e+00 3.04 -4.017138576e+00 -4.017138576e+00 3.06 -3.964635522e+00 -3.964635522e+00 3.08 -3.910084422e+00 -3.910084422e+00 3.10 -3.853803840e+00 -3.853803840e+00 3.12 -3.796092574e+00 -3.796092574e+00 3.14 -3.737216793e+00 -3.737216793e+00 3.16 -3.677403146e+00 -3.677403146e+00 3.18 -3.616838941e+00 -3.616838941e+00 3.20 -3.555676481e+00 -3.555676481e+00 3.22 -3.494039713e+00 -3.494039713e+00 3.24 -3.432031167e+00 -3.432031167e+00 3.26 -3.369737958e+00 -3.369737958e+00 3.28 -3.307236345e+00 -3.307236345e+00 3.30 -3.244594830e+00 -3.244594830e+00 3.32 -3.181876109e+00 -3.181876109e+00 3.34 -3.119138259e+00 -3.119138259e+00 3.36 -3.056435570e+00 -3.056435570e+00 3.38 -2.993819362e+00 -2.993819362e+00 3.40 -2.931339021e+00 -2.931339021e+00 3.42 -2.869043575e+00 -2.869043575e+00 3.44 -2.806983412e+00 -2.806983412e+00 3.46 -2.745212601e+00 -2.745212601e+00 3.48 -2.683791027e+00 -2.683791027e+00 3.50 -2.622786026e+00 -2.622786026e+00 3.52 -2.562272896e+00 -2.562272896e+00 3.54 -2.502333732e+00 -2.502333732e+00 3.56 -2.443054362e+00 -2.443054362e+00 3.58 -2.384519644e+00 -2.384519644e+00 3.60 -2.326807908e+00 -2.326807908e+00 3.62 -2.269985686e+00 -2.269985686e+00 3.64 -2.214103846e+00 -2.214103846e+00 3.66 -2.159195863e+00 -2.159195863e+00 3.68 -2.105278355e+00 -2.105278355e+00 3.70 -2.052353507e+00 -2.052353507e+00 3.72 -2.000412652e+00 -2.000412652e+00 3.74 -1.949440266e+00 -1.949440266e+00 3.76 -1.899417758e+00 -1.899417758e+00 3.78 -1.850326656e+00 -1.850326656e+00 3.80 -1.802150988e+00 -1.802150988e+00 3.82 -1.754878753e+00 -1.754878753e+00 3.84 -1.708502507e+00 -1.708502507e+00 3.86 -1.663019091e+00 -1.663019091e+00 3.88 -1.618428637e+00 -1.618428637e+00 3.90 -1.574733009e+00 -1.574733009e+00 3.92 -1.531933888e+00 -1.531933888e+00 3.94 -1.490031099e+00 -1.490031099e+00 3.96 -1.449020648e+00 -1.449020648e+00 3.98 -1.408893801e+00 -1.408893801e+00 4.00 -1.369636454e+00 -1.369636454e+00 4.02 -1.331229168e+00 -1.331229168e+00 4.04 -1.293647717e+00 -1.293647717e+00 4.06 -1.256864007e+00 -1.256864007e+00 4.08 -1.220847239e+00 -1.220847239e+00 4.10 -1.185565045e+00 -1.185565045e+00 4.12 -1.150985325e+00 -1.150985325e+00 4.14 -1.117076655e+00 -1.117076655e+00 4.16 -1.083810099e+00 -1.083810099e+00 4.18 -1.051160178e+00 -1.051160178e+00 4.20 -1.019105888e+00 -1.019105888e+00 4.22 -9.876315620e-01 -9.876315620e-01 4.24 -9.567275063e-01 -9.567275063e-01 4.26 -9.263903541e-01 -9.263903541e-01 4.28 -8.966230633e-01 -8.966230633e-01 4.30 -8.674345324e-01 -8.674345324e-01 4.32 -8.388388392e-01 -8.388388392e-01 4.34 -8.108541582e-01 -8.108541582e-01 4.36 -7.835014506e-01 -7.835014506e-01 4.38 -7.568030446e-01 -7.568030446e-01 4.40 -7.307812148e-01 -7.307812148e-01 4.42 -7.054568476e-01 -7.054568476e-01 4.44 -6.808482362e-01 -6.808482362e-01 4.46 -6.569700144e-01 -6.569700144e-01 4.48 -6.338322217e-01 -6.338322217e-01 4.50 -6.114394920e-01 -6.114394920e-01 4.52 -5.897903824e-01 -5.897903824e-01 4.54 -5.688768804e-01 -5.688768804e-01 4.56 -5.486841455e-01 -5.486841455e-01 4.58 -5.291905389e-01 -5.291905389e-01 4.60 -5.103679716e-01 -5.103679716e-01 4.62 -4.921825717e-01 -4.921825717e-01 4.64 -4.745956304e-01 -4.745956304e-01 4.66 -4.575647646e-01 -4.575647646e-01 4.68 -4.410452170e-01 -4.410452170e-01 4.70 -4.249912187e-01 -4.249912187e-01 4.72 -4.093573523e-01 -4.093573523e-01 4.74 -3.940998706e-01 -3.940998706e-01 4.76 -3.791779465e-01 -3.791779465e-01 4.78 -3.645548384e-01 -3.645548384e-01 4.80 -3.501988764e-01 -3.501988764e-01 4.82 -3.360847886e-01 -3.360847886e-01 4.84 -3.221939745e-01 -3.221939745e-01 4.86 -3.085155681e-01 -3.085155681e-01 4.88 -2.950467841e-01 -2.950467841e-01 4.90 -2.817930868e-01 -2.817930868e-01 4.92 -2.687680115e-01 -2.687680115e-01 4.94 -2.559925873e-01 -2.559925873e-01 4.96 -2.434943285e-01 -2.434943285e-01 4.98 -2.313058044e-01 -2.313058044e-01 5.00 -2.194628393e-01 -2.194628393e-01 5.02 -2.080024477e-01 -2.080024477e-01 5.04 -1.969606499e-01 -1.969606499e-01 5.06 -1.863703409e-01 -1.863703409e-01 5.08 -1.762593903e-01 -1.762593903e-01 5.10 -1.666491277e-01 -1.666491277e-01 5.12 -1.575533246e-01 -1.575533246e-01 5.14 -1.489777242e-01 -1.489777242e-01 5.16 -1.409201054e-01 -1.409201054e-01 5.18 -1.333708160e-01 -1.333708160e-01 5.20 -1.263136659e-01 -1.263136659e-01 5.22 -1.197270550e-01 -1.197270550e-01 5.24 -1.135852077e-01 -1.135852077e-01 5.26 -1.078594110e-01 -1.078594110e-01 5.28 -1.025191645e-01 -1.025191645e-01 5.30 -9.753310763e-02 -9.753310763e-02 5.32 -9.286957147e-02 -9.286957147e-02 5.34 -8.849833685e-02 -8.849833685e-02 5.36 -8.439034470e-02 -8.439034470e-02 5.38 -8.051793133e-02 -8.051793133e-02 5.40 -7.685509854e-02 -7.685509854e-02 5.42 -7.337766603e-02 -7.337766603e-02 5.44 -7.006333907e-02 -7.006333907e-02 5.46 -6.689171977e-02 -6.689171977e-02 5.48 -6.384428585e-02 -6.384428585e-02 5.50 -6.090435570e-02 -6.090435570e-02 5.52 -5.805705413e-02 -5.805705413e-02 5.54 -5.528928857e-02 -5.528928857e-02 5.56 -5.258974172e-02 -5.258974172e-02 5.58 -4.994888233e-02 -4.994888233e-02 5.60 -4.735899232e-02 -4.735899232e-02 5.62 -4.481420421e-02 -4.481420421e-02 5.64 -4.231053956e-02 -4.231053956e-02 5.66 -3.984593538e-02 -3.984593538e-02 5.68 -3.742024584e-02 -3.742024584e-02 5.70 -3.503519947e-02 -3.503519947e-02 5.72 -3.269429892e-02 -3.269429892e-02 5.74 -3.040265144e-02 -3.040265144e-02 5.76 -2.816672313e-02 -2.816672313e-02 5.78 -2.599401927e-02 -2.599401927e-02 5.80 -2.389269532e-02 -2.389269532e-02 5.82 -2.187112787e-02 -2.187112787e-02 5.84 -1.993746692e-02 -1.993746692e-02 5.86 -1.809919990e-02 -1.809919990e-02 5.88 -1.636276110e-02 -1.636276110e-02 5.90 -1.473321513e-02 -1.473321513e-02 5.92 -1.321393155e-02 -1.321393155e-02 5.94 -1.180643344e-02 -1.180643344e-02 5.96 -1.051094586e-02 -1.051094586e-02 5.98 -9.326031631e-03 -9.326031631e-03 6.00 -8.248730257e-03 -8.248730257e-03