# 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 = AlMg2Zr # 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 3.196348039e+02 3.196348039e+02 1.30 2.972585281e+02 2.972585281e+02 1.32 2.765044989e+02 2.765044989e+02 1.34 2.572444861e+02 2.572444861e+02 1.36 2.393623273e+02 2.393623273e+02 1.38 2.227534628e+02 2.227534628e+02 1.40 2.073231058e+02 2.073231058e+02 1.42 1.929834343e+02 1.929834343e+02 1.44 1.796512842e+02 1.796512842e+02 1.46 1.672477554e+02 1.672477554e+02 1.48 1.556996311e+02 1.556996311e+02 1.50 1.449409890e+02 1.449409890e+02 1.52 1.349135017e+02 1.349135017e+02 1.54 1.255652995e+02 1.255652995e+02 1.56 1.168493816e+02 1.168493816e+02 1.58 1.087225378e+02 1.087225378e+02 1.60 1.011446939e+02 1.011446939e+02 1.62 9.407833707e+01 9.407833707e+01 1.64 8.748795435e+01 8.748795435e+01 1.66 8.133971709e+01 8.133971709e+01 1.68 7.560156208e+01 7.560156208e+01 1.70 7.024364273e+01 7.024364273e+01 1.72 6.523914675e+01 6.523914675e+01 1.74 6.056376589e+01 6.056376589e+01 1.76 5.619531387e+01 5.619531387e+01 1.78 5.211366573e+01 5.211366573e+01 1.80 4.830141885e+01 4.830141885e+01 1.82 4.474150273e+01 4.474150273e+01 1.84 4.141749042e+01 4.141749042e+01 1.86 3.831390395e+01 3.831390395e+01 1.88 3.541620064e+01 3.541620064e+01 1.90 3.271080742e+01 3.271080742e+01 1.92 3.018506243e+01 3.018506243e+01 1.94 2.782710934e+01 2.782710934e+01 1.96 2.562573989e+01 2.562573989e+01 1.98 2.357035489e+01 2.357035489e+01 2.00 2.165102008e+01 2.165102008e+01 2.02 1.985854665e+01 1.985854665e+01 2.04 1.818452858e+01 1.818452858e+01 2.06 1.662129315e+01 1.662129315e+01 2.08 1.516177813e+01 1.516177813e+01 2.10 1.379939029e+01 1.379939029e+01 2.12 1.252791904e+01 1.252791904e+01 2.14 1.134149866e+01 1.134149866e+01 2.16 1.023462766e+01 1.023462766e+01 2.18 9.202179490e+00 9.202179490e+00 2.20 8.239397086e+00 8.239397086e+00 2.22 7.341849232e+00 7.341849232e+00 2.24 6.505394820e+00 6.505394820e+00 2.26 5.726166018e+00 5.726166018e+00 2.28 5.000564148e+00 5.000564148e+00 2.30 4.325279646e+00 4.325279646e+00 2.32 3.697264242e+00 3.697264242e+00 2.34 3.113740253e+00 3.113740253e+00 2.36 2.572146148e+00 2.572146148e+00 2.38 2.070102606e+00 2.070102606e+00 2.40 1.605372561e+00 1.605372561e+00 2.42 1.175818690e+00 1.175818690e+00 2.44 7.793750312e-01 7.793750312e-01 2.46 4.139796402e-01 4.139796402e-01 2.48 7.761278525e-02 7.761278525e-02 2.50 -2.316233123e-01 -2.316233123e-01 2.52 -5.156064587e-01 -5.156064587e-01 2.54 -7.761764241e-01 -7.761764241e-01 2.56 -1.015112985e+00 -1.015112985e+00 2.58 -1.234116280e+00 -1.234116280e+00 2.60 -1.434790587e+00 -1.434790587e+00 2.62 -1.618587489e+00 -1.618587489e+00 2.64 -1.786727122e+00 -1.786727122e+00 2.66 -1.940296172e+00 -1.940296172e+00 2.68 -2.080279087e+00 -2.080279087e+00 2.70 -2.207552363e+00 -2.207552363e+00 2.72 -2.322894906e+00 -2.322894906e+00 2.74 -2.427005801e+00 -2.427005801e+00 2.76 -2.520523108e+00 -2.520523108e+00 2.78 -2.604036884e+00 -2.604036884e+00 2.80 -2.678108215e+00 -2.678108215e+00 2.82 -2.743266957e+00 -2.743266957e+00 2.84 -2.800532886e+00 -2.800532886e+00 2.86 -2.850512235e+00 -2.850512235e+00 2.88 -2.893414409e+00 -2.893414409e+00 2.90 -2.929470624e+00 -2.929470624e+00 2.92 -2.958930832e+00 -2.958930832e+00 2.94 -2.982061819e+00 -2.982061819e+00 2.96 -2.999146399e+00 -2.999146399e+00 2.98 -3.010483519e+00 -3.010483519e+00 3.00 -3.016391910e+00 -3.016391910e+00 3.02 -3.017221184e+00 -3.017221184e+00 3.04 -3.013337028e+00 -3.013337028e+00 3.06 -3.005120855e+00 -3.005120855e+00 3.08 -2.992951662e+00 -2.992951662e+00 3.10 -2.977207963e+00 -2.977207963e+00 3.12 -2.958254943e+00 -2.958254943e+00 3.14 -2.936446688e+00 -2.936446688e+00 3.16 -2.912105309e+00 -2.912105309e+00 3.18 -2.885529149e+00 -2.885529149e+00 3.20 -2.856989573e+00 -2.856989573e+00 3.22 -2.826732984e+00 -2.826732984e+00 3.24 -2.794984318e+00 -2.794984318e+00 3.26 -2.761951014e+00 -2.761951014e+00 3.28 -2.727826275e+00 -2.727826275e+00 3.30 -2.692790583e+00 -2.692790583e+00 3.32 -2.657010963e+00 -2.657010963e+00 3.34 -2.620638369e+00 -2.620638369e+00 3.36 -2.583804424e+00 -2.583804424e+00 3.38 -2.546619036e+00 -2.546619036e+00 3.40 -2.509168988e+00 -2.509168988e+00 3.42 -2.471524720e+00 -2.471524720e+00 3.44 -2.433736872e+00 -2.433736872e+00 3.46 -2.395846423e+00 -2.395846423e+00 3.48 -2.357887874e+00 -2.357887874e+00 3.50 -2.319892888e+00 -2.319892888e+00 3.52 -2.281892630e+00 -2.281892630e+00 3.54 -2.243918874e+00 -2.243918874e+00 3.56 -2.206004132e+00 -2.206004132e+00 3.58 -2.168181167e+00 -2.168181167e+00 3.60 -2.130493915e+00 -2.130493915e+00 3.62 -2.092987548e+00 -2.092987548e+00 3.64 -2.055672453e+00 -2.055672453e+00 3.66 -2.018559186e+00 -2.018559186e+00 3.68 -1.981658857e+00 -1.981658857e+00 3.70 -1.944983081e+00 -1.944983081e+00 3.72 -1.908544384e+00 -1.908544384e+00 3.74 -1.872357001e+00 -1.872357001e+00 3.76 -1.836437959e+00 -1.836437959e+00 3.78 -1.800808248e+00 -1.800808248e+00 3.80 -1.765493569e+00 -1.765493569e+00 3.82 -1.730514507e+00 -1.730514507e+00 3.84 -1.695876743e+00 -1.695876743e+00 3.86 -1.661593224e+00 -1.661593224e+00 3.88 -1.627683909e+00 -1.627683909e+00 3.90 -1.594172119e+00 -1.594172119e+00 3.92 -1.561078996e+00 -1.561078996e+00 3.94 -1.528426219e+00 -1.528426219e+00 3.96 -1.496222865e+00 -1.496222865e+00 3.98 -1.464470960e+00 -1.464470960e+00 4.00 -1.433163278e+00 -1.433163278e+00 4.02 -1.402284285e+00 -1.402284285e+00 4.04 -1.371811984e+00 -1.371811984e+00 4.06 -1.341720246e+00 -1.341720246e+00 4.08 -1.311981270e+00 -1.311981270e+00 4.10 -1.282564558e+00 -1.282564558e+00 4.12 -1.253453036e+00 -1.253453036e+00 4.14 -1.224622683e+00 -1.224622683e+00 4.16 -1.196059519e+00 -1.196059519e+00 4.18 -1.167756622e+00 -1.167756622e+00 4.20 -1.139714944e+00 -1.139714944e+00 4.22 -1.111943785e+00 -1.111943785e+00 4.24 -1.084460835e+00 -1.084460835e+00 4.26 -1.057291731e+00 -1.057291731e+00 4.28 -1.030469059e+00 -1.030469059e+00 4.30 -1.004030782e+00 -1.004030782e+00 4.32 -9.780181817e-01 -9.780181817e-01 4.34 -9.524734147e-01 -9.524734147e-01 4.36 -9.274369252e-01 -9.274369252e-01 4.38 -9.029449464e-01 -9.029449464e-01 4.40 -8.790273455e-01 -8.790273455e-01 4.42 -8.557060117e-01 -8.557060117e-01 4.44 -8.329939069e-01 -8.329939069e-01 4.46 -8.108948012e-01 -8.108948012e-01 4.48 -7.894036269e-01 -7.894036269e-01 4.50 -7.685073194e-01 -7.685073194e-01 4.52 -7.481859827e-01 -7.481859827e-01 4.54 -7.284142144e-01 -7.284142144e-01 4.56 -7.091624517e-01 -7.091624517e-01 4.58 -6.903982372e-01 -6.903982372e-01 4.60 -6.720873420e-01 -6.720873420e-01 4.62 -6.541947239e-01 -6.541947239e-01 4.64 -6.366853240e-01 -6.366853240e-01 4.66 -6.195247264e-01 -6.195247264e-01 4.68 -6.026797152e-01 -6.026797152e-01 4.70 -5.861187642e-01 -5.861187642e-01 4.72 -5.698124949e-01 -5.698124949e-01 4.74 -5.537341285e-01 -5.537341285e-01 4.76 -5.378599511e-01 -5.378599511e-01 4.78 -5.221697978e-01 -5.221697978e-01 4.80 -5.066441027e-01 -5.066441027e-01 4.82 -4.912787712e-01 -4.912787712e-01 4.84 -4.760630853e-01 -4.760630853e-01 4.86 -4.609958501e-01 -4.609958501e-01 4.88 -4.460814765e-01 -4.460814765e-01 4.90 -4.313300304e-01 -4.313300304e-01 4.92 -4.167570382e-01 -4.167570382e-01 4.94 -4.023830102e-01 -4.023830102e-01 4.96 -3.882326630e-01 -3.882326630e-01 4.98 -3.743338568e-01 -3.743338568e-01 5.00 -3.607162939e-01 -3.607162939e-01 5.02 -3.474100610e-01 -3.474100610e-01 5.04 -3.344441200e-01 -3.344441200e-01 5.06 -3.218448691e-01 -3.218448691e-01 5.08 -3.096348844e-01 -3.096348844e-01 5.10 -2.978319411e-01 -2.978319411e-01 5.12 -2.864483742e-01 -2.864483742e-01 5.14 -2.754908049e-01 -2.754908049e-01 5.16 -2.649602185e-01 -2.649602185e-01 5.18 -2.548523514e-01 -2.548523514e-01 5.20 -2.451583207e-01 -2.451583207e-01 5.22 -2.358654213e-01 -2.358654213e-01 5.24 -2.269580162e-01 -2.269580162e-01 5.26 -2.184184530e-01 -2.184184530e-01 5.28 -2.102279497e-01 -2.102279497e-01 5.30 -2.023674106e-01 -2.023674106e-01 5.32 -1.948181395e-01 -1.948181395e-01 5.34 -1.875624334e-01 -1.875624334e-01 5.36 -1.805840418e-01 -1.805840418e-01 5.38 -1.738684880e-01 -1.738684880e-01 5.40 -1.674032467e-01 -1.674032467e-01 5.42 -1.611777836e-01 -1.611777836e-01 5.44 -1.551834613e-01 -1.551834613e-01 5.46 -1.494133282e-01 -1.494133282e-01 5.48 -1.438618088e-01 -1.438618088e-01 5.50 -1.385243267e-01 -1.385243267e-01 5.52 -1.333968913e-01 -1.333968913e-01 5.54 -1.284756887e-01 -1.284756887e-01 5.56 -1.237567095e-01 -1.237567095e-01 5.58 -1.192354414e-01 -1.192354414e-01 5.60 -1.149066496e-01 -1.149066496e-01 5.62 -1.107642528e-01 -1.107642528e-01 5.64 -1.068012926e-01 -1.068012926e-01 5.66 -1.030099819e-01 -1.030099819e-01 5.68 -9.938181701e-02 -9.938181701e-02 5.70 -9.590773176e-02 -9.590773176e-02 5.72 -9.257827090e-02 -9.257827090e-02 5.74 -8.938376394e-02 -8.938376394e-02 5.76 -8.631447030e-02 -8.631447030e-02 5.78 -8.336074735e-02 -8.336074735e-02 5.80 -8.051316658e-02 -8.051316658e-02 5.82 -7.776258827e-02 -7.776258827e-02 5.84 -7.510022376e-02 -7.510022376e-02 5.86 -7.251764389e-02 -7.251764389e-02 5.88 -7.000684311e-02 -7.000684311e-02 5.90 -6.756029094e-02 -6.756029094e-02 5.92 -6.517088589e-02 -6.517088589e-02 5.94 -6.283196137e-02 -6.283196137e-02 5.96 -6.053729354e-02 -6.053729354e-02 5.98 -5.828111447e-02 -5.828111447e-02 6.00 -5.605813321e-02 -5.605813321e-02