# 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 = Mo2TaW # 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 3.804710666e+02 3.804710666e+02 1.30 3.520037340e+02 3.520037340e+02 1.32 3.257155540e+02 3.257155540e+02 1.34 3.014171236e+02 3.014171236e+02 1.36 2.789328486e+02 2.789328486e+02 1.38 2.581018864e+02 2.581018864e+02 1.40 2.387799288e+02 2.387799288e+02 1.42 2.208400262e+02 2.208400262e+02 1.44 2.041713115e+02 2.041713115e+02 1.46 1.886760625e+02 1.886760625e+02 1.48 1.742665987e+02 1.742665987e+02 1.50 1.608633270e+02 1.608633270e+02 1.52 1.483942161e+02 1.483942161e+02 1.54 1.367949895e+02 1.367949895e+02 1.56 1.260090316e+02 1.260090316e+02 1.58 1.159864210e+02 1.159864210e+02 1.60 1.066821702e+02 1.066821702e+02 1.62 9.805420651e+01 9.805420651e+01 1.64 9.006168630e+01 9.006168630e+01 1.66 8.266400902e+01 8.266400902e+01 1.68 7.582057341e+01 7.582057341e+01 1.70 6.949106961e+01 6.949106961e+01 1.72 6.363601452e+01 6.363601452e+01 1.74 5.821730096e+01 5.821730096e+01 1.76 5.319866584e+01 5.319866584e+01 1.78 4.854609662e+01 4.854609662e+01 1.80 4.422822981e+01 4.422822981e+01 1.82 4.021674021e+01 4.021674021e+01 1.84 3.648662722e+01 3.648662722e+01 1.86 3.301625758e+01 3.301625758e+01 1.88 2.978707870e+01 2.978707870e+01 1.90 2.678312565e+01 2.678312565e+01 1.92 2.399377752e+01 2.399377752e+01 1.94 2.140751271e+01 2.140751271e+01 1.96 1.901432739e+01 1.901432739e+01 1.98 1.680404009e+01 1.680404009e+01 2.00 1.476415051e+01 1.476415051e+01 2.02 1.288252558e+01 1.288252558e+01 2.04 1.114742377e+01 1.114742377e+01 2.06 9.547538866e+00 9.547538866e+00 2.08 8.072049038e+00 8.072049038e+00 2.10 6.710677090e+00 6.710677090e+00 2.12 5.453773111e+00 5.453773111e+00 2.14 4.292418595e+00 4.292418595e+00 2.16 3.218530810e+00 3.218530810e+00 2.18 2.224933577e+00 2.224933577e+00 2.20 1.305365459e+00 1.305365459e+00 2.22 4.544155716e-01 4.544155716e-01 2.24 -3.326003262e-01 -3.326003262e-01 2.26 -1.059796174e+00 -1.059796174e+00 2.28 -1.730874008e+00 -1.730874008e+00 2.30 -2.349259997e+00 -2.349259997e+00 2.32 -2.918203638e+00 -2.918203638e+00 2.34 -3.440835470e+00 -3.440835470e+00 2.36 -3.920186700e+00 -3.920186700e+00 2.38 -4.359179809e+00 -4.359179809e+00 2.40 -4.760602219e+00 -4.760602219e+00 2.42 -5.127075312e+00 -5.127075312e+00 2.44 -5.461028502e+00 -5.461028502e+00 2.46 -5.764683830e+00 -5.764683830e+00 2.48 -6.040052257e+00 -6.040052257e+00 2.50 -6.288939761e+00 -6.288939761e+00 2.52 -6.512960155e+00 -6.512960155e+00 2.54 -6.713551799e+00 -6.713551799e+00 2.56 -6.891996426e+00 -6.891996426e+00 2.58 -7.049439246e+00 -7.049439246e+00 2.60 -7.186875440e+00 -7.186875440e+00 2.62 -7.305204779e+00 -7.305204779e+00 2.64 -7.405274226e+00 -7.405274226e+00 2.66 -7.487963419e+00 -7.487963419e+00 2.68 -7.554197940e+00 -7.554197940e+00 2.70 -7.604866162e+00 -7.604866162e+00 2.72 -7.640832544e+00 -7.640832544e+00 2.74 -7.662945183e+00 -7.662945183e+00 2.76 -7.672038465e+00 -7.672038465e+00 2.78 -7.668878923e+00 -7.668878923e+00 2.80 -7.653692527e+00 -7.653692527e+00 2.82 -7.626804671e+00 -7.626804671e+00 2.84 -7.588795972e+00 -7.588795972e+00 2.86 -7.540275301e+00 -7.540275301e+00 2.88 -7.481876659e+00 -7.481876659e+00 2.90 -7.414257093e+00 -7.414257093e+00 2.92 -7.338093425e+00 -7.338093425e+00 2.94 -7.254031382e+00 -7.254031382e+00 2.96 -7.162258577e+00 -7.162258577e+00 2.98 -7.062770509e+00 -7.062770509e+00 3.00 -6.955675147e+00 -6.955675147e+00 3.02 -6.841170192e+00 -6.841170192e+00 3.04 -6.719511051e+00 -6.719511051e+00 3.06 -6.590977639e+00 -6.590977639e+00 3.08 -6.455843911e+00 -6.455843911e+00 3.10 -6.314353876e+00 -6.314353876e+00 3.12 -6.166706833e+00 -6.166706833e+00 3.14 -6.013053127e+00 -6.013053127e+00 3.16 -5.853500273e+00 -5.853500273e+00 3.18 -5.688128139e+00 -5.688128139e+00 3.20 -5.517011158e+00 -5.517011158e+00 3.22 -5.340245259e+00 -5.340245259e+00 3.24 -5.157977168e+00 -5.157977168e+00 3.26 -4.970433780e+00 -4.970433780e+00 3.28 -4.777949397e+00 -4.777949397e+00 3.30 -4.580988658e+00 -4.580988658e+00 3.32 -4.380163087e+00 -4.380163087e+00 3.34 -4.176239309e+00 -4.176239309e+00 3.36 -3.970137347e+00 -3.970137347e+00 3.38 -3.762917887e+00 -3.762917887e+00 3.40 -3.555758194e+00 -3.555758194e+00 3.42 -3.349917276e+00 -3.349917276e+00 3.44 -3.146692076e+00 -3.146692076e+00 3.46 -2.947367563e+00 -2.947367563e+00 3.48 -2.753164613e+00 -2.753164613e+00 3.50 -2.565190153e+00 -2.565190153e+00 3.52 -2.384394067e+00 -2.384394067e+00 3.54 -2.211536745e+00 -2.211536745e+00 3.56 -2.047169941e+00 -2.047169941e+00 3.58 -1.891632022e+00 -1.891632022e+00 3.60 -1.745057071e+00 -1.745057071e+00 3.62 -1.607395810e+00 -1.607395810e+00 3.64 -1.478445338e+00 -1.478445338e+00 3.66 -1.357884169e+00 -1.357884169e+00 3.68 -1.245309022e+00 -1.245309022e+00 3.70 -1.140270236e+00 -1.140270236e+00 3.72 -1.042303279e+00 -1.042303279e+00 3.74 -9.509545909e-01 -9.509545909e-01 3.76 -8.658007172e-01 -8.658007172e-01 3.78 -7.864604442e-01 -7.864604442e-01 3.80 -7.126002186e-01 -7.126002186e-01 3.82 -6.439336696e-01 -6.439336696e-01 3.84 -5.802164253e-01 -5.802164253e-01 3.86 -5.212376632e-01 -5.212376632e-01 3.88 -4.668099202e-01 -4.668099202e-01 3.90 -4.167586162e-01 -4.167586162e-01 3.92 -3.709125338e-01 -3.709125338e-01 3.94 -3.290961556e-01 -3.290961556e-01 3.96 -2.911244034e-01 -2.911244034e-01 3.98 -2.567999266e-01 -2.567999266e-01 4.00 -2.259127518e-01 -2.259127518e-01 4.02 -1.982418586e-01 -1.982418586e-01 4.04 -1.735581750e-01 -1.735581750e-01 4.06 -1.516283076e-01 -1.516283076e-01 4.08 -1.322185274e-01 -1.322185274e-01 4.10 -1.150994382e-01 -1.150994382e-01 4.12 -1.000491967e-01 -1.000491967e-01 4.14 -8.685611614e-02 -8.685611614e-02 4.16 -7.532094768e-02 -7.532094768e-02 4.18 -6.525841896e-02 -6.525841896e-02 4.20 -5.649809960e-02 -5.649809960e-02 4.22 -4.888469071e-02 -4.888469071e-02 4.24 -4.227787356e-02 -4.227787356e-02 4.26 -3.655177474e-02 -3.655177474e-02 4.28 -3.159418852e-02 -3.159418852e-02 4.30 -2.730563484e-02 -2.730563484e-02 4.32 -2.359836298e-02 -2.359836298e-02 4.34 -2.039528828e-02 -2.039528828e-02 4.36 -1.762873095e-02 -1.762873095e-02 4.38 -1.523949240e-02 -1.523949240e-02 4.40 -1.317671414e-02 -1.317671414e-02 4.42 -1.139609223e-02 -1.139609223e-02 4.44 -9.859112251e-03 -9.859112251e-03 4.46 -8.532376676e-03 -8.532376676e-03 4.48 -7.386981433e-03 -7.386981433e-03 4.50 -6.397949061e-03 -6.397949061e-03 4.52 -5.543720191e-03 -5.543720191e-03 4.54 -4.805701978e-03 -4.805701978e-03 4.56 -4.167870159e-03 -4.167870159e-03 4.58 -3.616420404e-03 -3.616420404e-03 4.60 -3.139464257e-03 -3.139464257e-03 4.62 -2.726764910e-03 -2.726764910e-03 4.64 -2.369508223e-03 -2.369508223e-03 4.66 -2.060104735e-03 -2.060104735e-03 4.68 -1.792018765e-03 -1.792018765e-03 4.70 -1.559621110e-03 -1.559621110e-03 4.72 -1.358062189e-03 -1.358062189e-03 4.74 -1.183162920e-03 -1.183162920e-03 4.76 -1.031320869e-03 -1.031320869e-03 4.78 -8.994296006e-04 -8.994296006e-04 4.80 -7.848092911e-04 -7.848092911e-04 4.82 -6.851475199e-04 -6.851475199e-04 4.84 -5.984476128e-04 -5.984476128e-04 4.86 -5.229850552e-04 -5.229850552e-04 4.88 -4.572696514e-04 -4.572696514e-04 4.90 -4.000130867e-04 -4.000130867e-04 4.92 -3.501010487e-04 -3.501010487e-04 4.94 -3.065692603e-04 -3.065692603e-04 4.96 -2.685828695e-04 -2.685828695e-04 4.98 -2.354187204e-04 -2.354187204e-04 5.00 -2.064500962e-04 -2.064500962e-04 5.02 -1.811335862e-04 -1.811335862e-04 5.04 -1.589977745e-04 -1.589977745e-04 5.06 -1.396334950e-04 -1.396334950e-04 5.08 -1.226854322e-04 -1.226854322e-04 5.10 -1.078448775e-04 -1.078448775e-04 5.12 -9.484348057e-05 -9.484348057e-05 5.14 -8.344785535e-05 -8.344785535e-05 5.16 -7.345492271e-05 -7.345492271e-05 5.18 -6.468788627e-05 -6.468788627e-05 5.20 -5.699275406e-05 -5.699275406e-05 5.22 -5.023533050e-05 -5.023533050e-05 5.24 -4.429861369e-05 -4.429861369e-05 5.26 -3.908054241e-05 -3.908054241e-05 5.28 -3.449204477e-05 -3.449204477e-05 5.30 -3.045534737e-05 -3.045534737e-05 5.32 -2.690250936e-05 -2.690250936e-05 5.34 -2.377415094e-05 -2.377415094e-05 5.36 -2.101834994e-05 -2.101834994e-05 5.38 -1.858968377e-05 -1.858968377e-05 5.40 -1.644839719e-05 -1.644839719e-05 5.42 -1.455967900e-05 -1.455967900e-05 5.44 -1.289303310e-05 -1.289303310e-05 5.46 -1.142173143e-05 -1.142173143e-05 5.48 -1.012233767e-05 -1.012233767e-05 5.50 -8.974292660e-06 -8.974292660e-06 5.52 -7.959553045e-06 -7.959553045e-06 5.54 -7.062276438e-06 -7.062276438e-06 5.56 -6.268546805e-06 -6.268546805e-06 5.58 -5.566134891e-06 -5.566134891e-06 5.60 -4.944289115e-06 -4.944289115e-06 5.62 -4.393552957e-06 -4.393552957e-06 5.64 -3.905605425e-06 -3.905605425e-06 5.66 -3.473121606e-06 -3.473121606e-06 5.68 -3.089650730e-06 -3.089650730e-06 5.70 -2.749509488e-06 -2.749509488e-06 5.72 -2.447688664e-06 -2.447688664e-06 5.74 -2.179771375e-06 -2.179771375e-06 5.76 -1.941861453e-06 -1.941861453e-06 5.78 -1.730520671e-06 -1.730520671e-06 5.80 -1.542713711e-06 -1.542713711e-06 5.82 -1.375759889e-06 -1.375759889e-06 5.84 -1.227290790e-06 -1.227290790e-06 5.86 -1.095213084e-06 -1.095213084e-06 5.88 -9.776758557e-07 -9.776758557e-07 5.90 -8.730419082e-07 -8.730419082e-07 5.92 -7.798625369e-07 -7.798625369e-07 5.94 -6.968553444e-07 -6.968553444e-07 5.96 -6.228847250e-07 -6.228847250e-07 5.98 -5.569446892e-07 -5.569446892e-07 6.00 -4.981437427e-07 -4.981437427e-07