# 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 = CoTaW2 # 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 3.522212861e+02 3.522212861e+02 1.30 3.248455711e+02 3.248455711e+02 1.32 2.996117490e+02 2.996117490e+02 1.34 2.763330617e+02 2.763330617e+02 1.36 2.548389018e+02 2.548389018e+02 1.38 2.349746857e+02 2.349746857e+02 1.40 2.166024120e+02 2.166024120e+02 1.42 1.996002963e+02 1.996002963e+02 1.44 1.838605421e+02 1.838605421e+02 1.46 1.692859681e+02 1.692859681e+02 1.48 1.557871170e+02 1.557871170e+02 1.50 1.432808884e+02 1.432808884e+02 1.52 1.316905582e+02 1.316905582e+02 1.54 1.209464057e+02 1.209464057e+02 1.56 1.109861557e+02 1.109861557e+02 1.58 1.017546819e+02 1.017546819e+02 1.60 9.320286553e+01 9.320286553e+01 1.62 8.528597507e+01 8.528597507e+01 1.64 7.796211794e+01 7.796211794e+01 1.66 7.119117865e+01 7.119117865e+01 1.68 6.493437665e+01 6.493437665e+01 1.70 5.915429492e+01 5.915429492e+01 1.72 5.381509662e+01 5.381509662e+01 1.74 4.888273700e+01 4.888273700e+01 1.76 4.432515019e+01 4.432515019e+01 1.78 4.011245480e+01 4.011245480e+01 1.80 3.621717083e+01 3.621717083e+01 1.82 3.261438101e+01 3.261438101e+01 1.84 2.928176473e+01 2.928176473e+01 1.86 2.619946365e+01 2.619946365e+01 1.88 2.334977547e+01 2.334977547e+01 1.90 2.071671630e+01 2.071671630e+01 1.92 1.828702033e+01 1.828702033e+01 1.94 1.605129830e+01 1.605129830e+01 1.96 1.399619273e+01 1.399619273e+01 1.98 1.210871488e+01 1.210871488e+01 2.00 1.037591308e+01 1.037591308e+01 2.02 8.785301505e+00 8.785301505e+00 2.04 7.325143730e+00 7.325143730e+00 2.06 5.984503006e+00 5.984503006e+00 2.08 4.753232532e+00 4.753232532e+00 2.10 3.621936219e+00 3.621936219e+00 2.12 2.581940399e+00 2.581940399e+00 2.14 1.625300512e+00 1.625300512e+00 2.16 7.448382026e-01 7.448382026e-01 2.18 -6.581950771e-02 -6.581950771e-02 2.20 -8.122338684e-01 -8.122338684e-01 2.22 -1.499203249e+00 -1.499203249e+00 2.24 -2.130867001e+00 -2.130867001e+00 2.26 -2.710844615e+00 -2.710844615e+00 2.28 -3.242382206e+00 -3.242382206e+00 2.30 -3.728481253e+00 -3.728481253e+00 2.32 -4.171993409e+00 -4.171993409e+00 2.34 -4.575675315e+00 -4.575675315e+00 2.36 -4.942206008e+00 -4.942206008e+00 2.38 -5.274175951e+00 -5.274175951e+00 2.40 -5.574060138e+00 -5.574060138e+00 2.42 -5.844187933e+00 -5.844187933e+00 2.44 -6.086719369e+00 -6.086719369e+00 2.46 -6.303632959e+00 -6.303632959e+00 2.48 -6.496725378e+00 -6.496725378e+00 2.50 -6.667620473e+00 -6.667620473e+00 2.52 -6.817784266e+00 -6.817784266e+00 2.54 -6.948543058e+00 -6.948543058e+00 2.56 -7.061011604e+00 -7.061011604e+00 2.58 -7.156231560e+00 -7.156231560e+00 2.60 -7.235366222e+00 -7.235366222e+00 2.62 -7.299474808e+00 -7.299474808e+00 2.64 -7.349473257e+00 -7.349473257e+00 2.66 -7.386184322e+00 -7.386184322e+00 2.68 -7.410491003e+00 -7.410491003e+00 2.70 -7.423211365e+00 -7.423211365e+00 2.72 -7.425044792e+00 -7.425044792e+00 2.74 -7.416198340e+00 -7.416198340e+00 2.76 -7.396751001e+00 -7.396751001e+00 2.78 -7.366868222e+00 -7.366868222e+00 2.80 -7.326783806e+00 -7.326783806e+00 2.82 -7.276681432e+00 -7.276681432e+00 2.84 -7.216704934e+00 -7.216704934e+00 2.86 -7.147085717e+00 -7.147085717e+00 2.88 -7.068149038e+00 -7.068149038e+00 2.90 -6.980347101e+00 -6.980347101e+00 2.92 -6.884153299e+00 -6.884153299e+00 2.94 -6.780118742e+00 -6.780118742e+00 2.96 -6.668890350e+00 -6.668890350e+00 2.98 -6.551198095e+00 -6.551198095e+00 3.00 -6.427833502e+00 -6.427833502e+00 3.02 -6.299619508e+00 -6.299619508e+00 3.04 -6.167369667e+00 -6.167369667e+00 3.06 -6.031789905e+00 -6.031789905e+00 3.08 -5.893460707e+00 -5.893460707e+00 3.10 -5.752861413e+00 -5.752861413e+00 3.12 -5.610351885e+00 -5.610351885e+00 3.14 -5.466166234e+00 -5.466166234e+00 3.16 -5.320419784e+00 -5.320419784e+00 3.18 -5.173127120e+00 -5.173127120e+00 3.20 -5.024228115e+00 -5.024228115e+00 3.22 -4.873618563e+00 -4.873618563e+00 3.24 -4.721182445e+00 -4.721182445e+00 3.26 -4.566823358e+00 -4.566823358e+00 3.28 -4.410493300e+00 -4.410493300e+00 3.30 -4.252217445e+00 -4.252217445e+00 3.32 -4.092113908e+00 -4.092113908e+00 3.34 -3.930407687e+00 -3.930407687e+00 3.36 -3.767438108e+00 -3.767438108e+00 3.38 -3.603659182e+00 -3.603659182e+00 3.40 -3.439632430e+00 -3.439632430e+00 3.42 -3.276012035e+00 -3.276012035e+00 3.44 -3.113522644e+00 -3.113522644e+00 3.46 -2.952930819e+00 -2.952930819e+00 3.48 -2.795011932e+00 -2.795011932e+00 3.50 -2.640515049e+00 -2.640515049e+00 3.52 -2.490128879e+00 -2.490128879e+00 3.54 -2.344451985e+00 -2.344451985e+00 3.56 -2.203970112e+00 -2.203970112e+00 3.58 -2.069042611e+00 -2.069042611e+00 3.60 -1.939898870e+00 -1.939898870e+00 3.62 -1.816644377e+00 -1.816644377e+00 3.64 -1.699275011e+00 -1.699275011e+00 3.66 -1.587697323e+00 -1.587697323e+00 3.68 -1.481752236e+00 -1.481752236e+00 3.70 -1.381239507e+00 -1.381239507e+00 3.72 -1.285940607e+00 -1.285940607e+00 3.74 -1.195638167e+00 -1.195638167e+00 3.76 -1.110130697e+00 -1.110130697e+00 3.78 -1.029241955e+00 -1.029241955e+00 3.80 -9.528249094e-01 -9.528249094e-01 3.82 -8.807607964e-01 -8.807607964e-01 3.84 -8.129541925e-01 -8.129541925e-01 3.86 -7.493253152e-01 -7.493253152e-01 3.88 -6.898009059e-01 -6.898009059e-01 3.90 -6.343050203e-01 -6.343050203e-01 3.92 -5.827508639e-01 -5.827508639e-01 3.94 -5.350345207e-01 -5.350345207e-01 3.96 -4.910310531e-01 -4.910310531e-01 3.98 -4.505930961e-01 -4.505930961e-01 4.00 -4.135517470e-01 -4.135517470e-01 4.02 -3.797193327e-01 -3.797193327e-01 4.04 -3.488935114e-01 -3.488935114e-01 4.06 -3.208621393e-01 -3.208621393e-01 4.08 -2.954083879e-01 -2.954083879e-01 4.10 -2.723156869e-01 -2.723156869e-01 4.12 -2.513720416e-01 -2.513720416e-01 4.14 -2.323741858e-01 -2.323741858e-01 4.16 -2.151305205e-01 -2.151305205e-01 4.18 -1.994632161e-01 -1.994632161e-01 4.20 -1.852097279e-01 -1.852097279e-01 4.22 -1.722235511e-01 -1.722235511e-01 4.24 -1.603742789e-01 -1.603742789e-01 4.26 -1.495470180e-01 -1.495470180e-01 4.28 -1.396412504e-01 -1.396412504e-01 4.30 -1.305692622e-01 -1.305692622e-01 4.32 -1.222542809e-01 -1.222542809e-01 4.34 -1.146285142e-01 -1.146285142e-01 4.36 -1.076312758e-01 -1.076312758e-01 4.38 -1.012072286e-01 -1.012072286e-01 4.40 -9.530525602e-02 -9.530525602e-02 4.42 -8.987784718e-02 -8.987784718e-02 4.44 -8.488020945e-02 -8.488020945e-02 4.46 -8.027005300e-02 -8.027005300e-02 4.48 -7.600757140e-02 -7.600757140e-02 4.50 -7.205551256e-02 -7.205551256e-02 4.52 -6.837926343e-02 -6.837926343e-02 4.54 -6.494689893e-02 -6.494689893e-02 4.56 -6.172917224e-02 -6.172917224e-02 4.58 -5.869944405e-02 -5.869944405e-02 4.60 -5.583356219e-02 -5.583356219e-02 4.62 -5.310970984e-02 -5.310970984e-02 4.64 -5.050824267e-02 -5.050824267e-02 4.66 -4.801153408e-02 -4.801153408e-02 4.68 -4.560384496e-02 -4.560384496e-02 4.70 -4.327123075e-02 -4.327123075e-02 4.72 -4.100149404e-02 -4.100149404e-02 4.74 -3.878418702e-02 -3.878418702e-02 4.76 -3.661066233e-02 -3.661066233e-02 4.78 -3.447416547e-02 -3.447416547e-02 4.80 -3.236995426e-02 -3.236995426e-02 4.82 -3.029542544e-02 -3.029542544e-02 4.84 -2.825021877e-02 -2.825021877e-02 4.86 -2.623626729e-02 -2.623626729e-02 4.88 -2.425775713e-02 -2.425775713e-02 4.90 -2.232096597e-02 -2.232096597e-02 4.92 -2.043395920e-02 -2.043395920e-02 4.94 -1.860613945e-02 -1.860613945e-02 4.96 -1.684754483e-02 -1.684754483e-02 4.98 -1.516827643e-02 -1.516827643e-02 5.00 -1.357811365e-02 -1.357811365e-02 5.02 -1.208556018e-02 -1.208556018e-02 5.04 -1.069729403e-02 -1.069729403e-02 5.06 -9.417789885e-03 -9.417789885e-03 5.08 -8.249135578e-03 -8.249135578e-03 5.10 -7.191043968e-03 -7.191043968e-03 5.12 -6.241035722e-03 -6.241035722e-03 5.14 -5.394751085e-03 -5.394751085e-03 5.16 -4.646340385e-03 -4.646340385e-03 5.18 -3.988883961e-03 -3.988883961e-03 5.20 -3.414799978e-03 -3.414799978e-03 5.22 -2.916209991e-03 -2.916209991e-03 5.24 -2.485244332e-03 -2.485244332e-03 5.26 -2.114280166e-03 -2.114280166e-03 5.28 -1.796113399e-03 -1.796113399e-03 5.30 -1.524071052e-03 -1.524071052e-03 5.32 -1.292073667e-03 -1.292073667e-03 5.34 -1.094658253e-03 -1.094658253e-03 5.36 -9.269718647e-04 -9.269718647e-04 5.38 -7.847447305e-04 -7.847447305e-04 5.40 -6.642502927e-04 -6.642502927e-04 5.42 -5.622579337e-04 -5.622579337e-04 5.44 -4.759826913e-04 -4.759826913e-04 5.46 -4.030350088e-04 -4.030350088e-04 5.48 -3.413725545e-04 -3.413725545e-04 5.50 -2.892553586e-04 -2.892553586e-04 5.52 -2.452049415e-04 -2.452049415e-04 5.54 -2.079676943e-04 -2.079676943e-04 5.56 -1.764824933e-04 -1.764824933e-04 5.58 -1.498523558e-04 -1.498523558e-04 5.60 -1.273198380e-04 -1.273198380e-04 5.62 -1.082458227e-04 -1.082458227e-04 5.64 -9.209133027e-05 -9.209133027e-05 5.66 -7.840199046e-05 -7.840199046e-05 5.68 -6.679483239e-05 -6.679483239e-05 5.70 -5.694708020e-05 -5.694708020e-05 5.72 -4.858667149e-05 -4.858667149e-05 5.74 -4.148424859e-05 -4.148424859e-05 5.76 -3.544640389e-05 -3.544640389e-05 5.78 -3.030998918e-05 -3.030998918e-05 5.80 -2.593732560e-05 -2.593732560e-05 5.82 -2.221217416e-05 -2.221217416e-05 5.84 -1.903634722e-05 -1.903634722e-05 5.86 -1.632686003e-05 -1.632686003e-05 5.88 -1.401353615e-05 -1.401353615e-05 5.90 -1.203699456e-05 -1.203699456e-05 5.92 -1.034695734e-05 -1.034695734e-05 5.94 -8.900826534e-06 -8.900826534e-06 5.96 -7.662487048e-06 -7.662487048e-06 5.98 -6.601299267e-06 -6.601299267e-06 6.00 -5.691251034e-06 -5.691251034e-06