# 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 = Mo2PtTa # 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 3.948929584e+02 3.948929584e+02 1.30 3.677809699e+02 3.677809699e+02 1.32 3.425154061e+02 3.425154061e+02 1.34 3.189483628e+02 3.189483628e+02 1.36 2.969574652e+02 2.969574652e+02 1.38 2.764357802e+02 2.764357802e+02 1.40 2.572834729e+02 2.572834729e+02 1.42 2.394044590e+02 2.394044590e+02 1.44 2.227075557e+02 2.227075557e+02 1.46 2.071096302e+02 2.071096302e+02 1.48 1.925375810e+02 1.925375810e+02 1.50 1.789270273e+02 1.789270273e+02 1.52 1.662183442e+02 1.662183442e+02 1.54 1.543528304e+02 1.543528304e+02 1.56 1.432712680e+02 1.432712680e+02 1.58 1.329147889e+02 1.329147889e+02 1.60 1.232264584e+02 1.232264584e+02 1.62 1.141524080e+02 1.141524080e+02 1.64 1.056424754e+02 1.056424754e+02 1.66 9.765079890e+01 9.765079890e+01 1.68 9.013657412e+01 9.013657412e+01 1.70 8.306476350e+01 8.306476350e+01 1.72 7.640633765e+01 7.640633765e+01 1.74 7.013772802e+01 7.013772802e+01 1.76 6.423959279e+01 6.423959279e+01 1.78 5.869540984e+01 5.869540984e+01 1.80 5.349033987e+01 5.349033987e+01 1.82 4.861038965e+01 4.861038965e+01 1.84 4.404171364e+01 4.404171364e+01 1.86 3.977082755e+01 3.977082755e+01 1.88 3.578679533e+01 3.578679533e+01 1.90 3.208874981e+01 3.208874981e+01 1.92 2.870765090e+01 2.870765090e+01 1.94 2.562010177e+01 2.562010177e+01 1.96 2.279901341e+01 2.279901341e+01 1.98 2.021921253e+01 2.021921253e+01 2.00 1.785761055e+01 1.785761055e+01 2.02 1.569329147e+01 1.569329147e+01 2.04 1.370750987e+01 1.370750987e+01 2.06 1.188360068e+01 1.188360068e+01 2.08 1.020681383e+01 1.020681383e+01 2.10 8.664098753e+00 8.664098753e+00 2.12 7.243874598e+00 7.243874598e+00 2.14 5.935824839e+00 5.935824839e+00 2.16 4.730741792e+00 4.730741792e+00 2.18 3.620420370e+00 3.620420370e+00 2.20 2.597577117e+00 2.597577117e+00 2.22 1.655765319e+00 1.655765319e+00 2.24 7.892700444e-01 7.892700444e-01 2.26 -7.014727356e-03 -7.014727356e-03 2.28 -7.377132450e-01 -7.377132450e-01 2.30 -1.407083836e+00 -1.407083836e+00 2.32 -2.019112042e+00 -2.019112042e+00 2.34 -2.577575443e+00 -2.577575443e+00 2.36 -3.086080323e+00 -3.086080323e+00 2.38 -3.548074784e+00 -3.548074784e+00 2.40 -3.966846077e+00 -3.966846077e+00 2.42 -4.345510955e+00 -4.345510955e+00 2.44 -4.687006895e+00 -4.687006895e+00 2.46 -4.994089613e+00 -4.994089613e+00 2.48 -5.269338795e+00 -5.269338795e+00 2.50 -5.515169507e+00 -5.515169507e+00 2.52 -5.733842527e+00 -5.733842527e+00 2.54 -5.927465469e+00 -5.927465469e+00 2.56 -6.097980626e+00 -6.097980626e+00 2.58 -6.247143786e+00 -6.247143786e+00 2.60 -6.376441469e+00 -6.376441469e+00 2.62 -6.487209968e+00 -6.487209968e+00 2.64 -6.580673665e+00 -6.580673665e+00 2.66 -6.657882839e+00 -6.657882839e+00 2.68 -6.719758580e+00 -6.719758580e+00 2.70 -6.767190623e+00 -6.767190623e+00 2.72 -6.801946675e+00 -6.801946675e+00 2.74 -6.824670679e+00 -6.824670679e+00 2.76 -6.835936600e+00 -6.835936600e+00 2.78 -6.836377049e+00 -6.836377049e+00 2.80 -6.826509470e+00 -6.826509470e+00 2.82 -6.806856372e+00 -6.806856372e+00 2.84 -6.777967106e+00 -6.777967106e+00 2.86 -6.740414789e+00 -6.740414789e+00 2.88 -6.694793756e+00 -6.694793756e+00 2.90 -6.641517810e+00 -6.641517810e+00 2.92 -6.580678334e+00 -6.580678334e+00 2.94 -6.512432857e+00 -6.512432857e+00 2.96 -6.437044235e+00 -6.437044235e+00 2.98 -6.354863560e+00 -6.354863560e+00 3.00 -6.266303531e+00 -6.266303531e+00 3.02 -6.171804439e+00 -6.171804439e+00 3.04 -6.071797664e+00 -6.071797664e+00 3.06 -5.966672862e+00 -5.966672862e+00 3.08 -5.856754105e+00 -5.856754105e+00 3.10 -5.742288029e+00 -5.742288029e+00 3.12 -5.623444193e+00 -5.623444193e+00 3.14 -5.500325830e+00 -5.500325830e+00 3.16 -5.372988058e+00 -5.372988058e+00 3.18 -5.241460650e+00 -5.241460650e+00 3.20 -5.105772857e+00 -5.105772857e+00 3.22 -4.965978394e+00 -4.965978394e+00 3.24 -4.822179139e+00 -4.822179139e+00 3.26 -4.674546310e+00 -4.674546310e+00 3.28 -4.523337934e+00 -4.523337934e+00 3.30 -4.368911440e+00 -4.368911440e+00 3.32 -4.211730294e+00 -4.211730294e+00 3.34 -4.052397897e+00 -4.052397897e+00 3.36 -3.892109012e+00 -3.892109012e+00 3.38 -3.732401198e+00 -3.732401198e+00 3.40 -3.574675112e+00 -3.574675112e+00 3.42 -3.420146135e+00 -3.420146135e+00 3.44 -3.269817459e+00 -3.269817459e+00 3.46 -3.124465506e+00 -3.124465506e+00 3.48 -2.984638297e+00 -2.984638297e+00 3.50 -2.850665895e+00 -2.850665895e+00 3.52 -2.722680957e+00 -2.722680957e+00 3.54 -2.600646741e+00 -2.600646741e+00 3.56 -2.484389640e+00 -2.484389640e+00 3.58 -2.373633458e+00 -2.373633458e+00 3.60 -2.268033003e+00 -2.268033003e+00 3.62 -2.167205145e+00 -2.167205145e+00 3.64 -2.070756101e+00 -2.070756101e+00 3.66 -1.978304231e+00 -1.978304231e+00 3.68 -1.889498073e+00 -1.889498073e+00 3.70 -1.804029619e+00 -1.804029619e+00 3.72 -1.721643009e+00 -1.721643009e+00 3.74 -1.642138874e+00 -1.642138874e+00 3.76 -1.565374646e+00 -1.565374646e+00 3.78 -1.491261200e+00 -1.491261200e+00 3.80 -1.419756304e+00 -1.419756304e+00 3.82 -1.350855482e+00 -1.350855482e+00 3.84 -1.284581083e+00 -1.284581083e+00 3.86 -1.220970440e+00 -1.220970440e+00 3.88 -1.160064128e+00 -1.160064128e+00 3.90 -1.101895243e+00 -1.101895243e+00 3.92 -1.046480559e+00 -1.046480559e+00 3.94 -9.938141545e-01 -9.938141545e-01 3.96 -9.438638114e-01 -9.438638114e-01 3.98 -8.965702400e-01 -8.965702400e-01 4.00 -8.518488518e-01 -8.518488518e-01 4.02 -8.095936568e-01 -8.095936568e-01 4.04 -7.696826361e-01 -7.696826361e-01 4.06 -7.319839918e-01 -7.319839918e-01 4.08 -6.963631105e-01 -6.963631105e-01 4.10 -6.626877789e-01 -6.626877789e-01 4.12 -6.308329535e-01 -6.308329535e-01 4.14 -6.006856475e-01 -6.006856475e-01 4.16 -5.721470213e-01 -5.721470213e-01 4.18 -5.451327988e-01 -5.451327988e-01 4.20 -5.195720925e-01 -5.195720925e-01 4.22 -4.954048875e-01 -4.954048875e-01 4.24 -4.725786049e-01 -4.725786049e-01 4.26 -4.510442775e-01 -4.510442775e-01 4.28 -4.307528848e-01 -4.307528848e-01 4.30 -4.116523193e-01 -4.116523193e-01 4.32 -3.936853017e-01 -3.936853017e-01 4.34 -3.767883709e-01 -3.767883709e-01 4.36 -3.608918944e-01 -3.608918944e-01 4.38 -3.459209028e-01 -3.459209028e-01 4.40 -3.317964827e-01 -3.317964827e-01 4.42 -3.184374361e-01 -3.184374361e-01 4.44 -3.057619951e-01 -3.057619951e-01 4.46 -2.936893986e-01 -2.936893986e-01 4.48 -2.821412269e-01 -2.821412269e-01 4.50 -2.710424550e-01 -2.710424550e-01 4.52 -2.603222539e-01 -2.603222539e-01 4.54 -2.499143675e-01 -2.499143675e-01 4.56 -2.397582561e-01 -2.397582561e-01 4.58 -2.297991207e-01 -2.297991207e-01 4.60 -2.199881626e-01 -2.199881626e-01 4.62 -2.102830740e-01 -2.102830740e-01 4.64 -2.006485698e-01 -2.006485698e-01 4.66 -1.910569696e-01 -1.910569696e-01 4.68 -1.814888137e-01 -1.814888137e-01 4.70 -1.719334638e-01 -1.719334638e-01 4.72 -1.623896139e-01 -1.623896139e-01 4.74 -1.528656156e-01 -1.528656156e-01 4.76 -1.433795107e-01 -1.433795107e-01 4.78 -1.339586693e-01 -1.339586693e-01 4.80 -1.246389496e-01 -1.246389496e-01 4.82 -1.154633442e-01 -1.154633442e-01 4.84 -1.064801207e-01 -1.064801207e-01 4.86 -9.774054907e-02 -9.774054907e-02 4.88 -8.929635385e-02 -8.929635385e-02 4.90 -8.119709072e-02 -8.119709072e-02 4.92 -7.348766353e-02 -7.348766353e-02 4.94 -6.620619204e-02 -6.620619204e-02 4.96 -5.938239933e-02 -5.938239933e-02 4.98 -5.303662379e-02 -5.303662379e-02 5.00 -4.717948305e-02 -4.717948305e-02 5.02 -4.181215914e-02 -4.181215914e-02 5.04 -3.692718905e-02 -3.692718905e-02 5.06 -3.250962259e-02 -3.250962259e-02 5.08 -2.853840878e-02 -2.853840878e-02 5.10 -2.498786683e-02 -2.498786683e-02 5.12 -2.182914973e-02 -2.182914973e-02 5.14 -1.903156590e-02 -1.903156590e-02 5.16 -1.656365762e-02 -1.656365762e-02 5.18 -1.439382768e-02 -1.439382768e-02 5.20 -1.249216923e-02 -1.249216923e-02 5.22 -1.083026223e-02 -1.083026223e-02 5.24 -9.381407769e-03 -9.381407769e-03 5.26 -8.120900408e-03 -8.120900408e-03 5.28 -7.026161202e-03 -7.026161202e-03 5.30 -6.076765568e-03 -6.076765568e-03 5.32 -5.254395185e-03 -5.254395185e-03 5.34 -4.542738030e-03 -4.542738030e-03 5.36 -3.927355656e-03 -3.927355656e-03 5.38 -3.395532343e-03 -3.395532343e-03 5.40 -2.936116933e-03 -2.936116933e-03 5.42 -2.539365049e-03 -2.539365049e-03 5.44 -2.196786947e-03 -2.196786947e-03 5.46 -1.901004325e-03 -1.901004325e-03 5.48 -1.645618017e-03 -1.645618017e-03 5.50 -1.425087473e-03 -1.425087473e-03 5.52 -1.234622198e-03 -1.234622198e-03 5.54 -1.070084836e-03 -1.070084836e-03 5.56 -9.279052826e-04 -9.279052826e-04 5.58 -8.050050218e-04 -8.050050218e-04 5.60 -6.987307931e-04 -6.987307931e-04 5.62 -6.067966771e-04 -6.067966771e-04 5.64 -5.272336956e-04 -5.272336956e-04 5.66 -4.583460720e-04 -4.583460720e-04 5.68 -3.986733582e-04 -3.986733582e-04 5.70 -3.469577013e-04 -3.469577013e-04 5.72 -3.021155951e-04 -3.021155951e-04 5.74 -2.632135320e-04 -2.632135320e-04 5.76 -2.294470366e-04 -2.294470366e-04 5.78 -2.001226241e-04 -2.001226241e-04 5.80 -1.746422867e-04 -1.746422867e-04 5.82 -1.524901569e-04 -1.524901569e-04 5.84 -1.332210462e-04 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