# 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 = FePd2Ta # 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 3.299784587e+02 3.299784587e+02 1.30 3.052393571e+02 3.052393571e+02 1.32 2.823726961e+02 2.823726961e+02 1.34 2.612306566e+02 2.612306566e+02 1.36 2.416744531e+02 2.416744531e+02 1.38 2.235742347e+02 2.235742347e+02 1.40 2.068097824e+02 2.068097824e+02 1.42 1.912709864e+02 1.912709864e+02 1.44 1.768579670e+02 1.768579670e+02 1.46 1.634808605e+02 1.634808605e+02 1.48 1.510590476e+02 1.510590476e+02 1.50 1.395199068e+02 1.395199068e+02 1.52 1.287974732e+02 1.287974732e+02 1.54 1.188312272e+02 1.188312272e+02 1.56 1.095650414e+02 1.095650414e+02 1.58 1.009464002e+02 1.009464002e+02 1.60 9.292609029e+01 9.292609029e+01 1.62 8.545839115e+01 8.545839115e+01 1.64 7.850150687e+01 7.850150687e+01 1.66 7.201786028e+01 7.201786028e+01 1.68 6.597399980e+01 6.597399980e+01 1.70 6.034008005e+01 6.034008005e+01 1.72 5.508993593e+01 5.508993593e+01 1.74 5.020275721e+01 5.020275721e+01 1.76 4.565462064e+01 4.565462064e+01 1.78 4.142186413e+01 4.142186413e+01 1.80 3.749907380e+01 3.749907380e+01 1.82 3.388149269e+01 3.388149269e+01 1.84 3.054561377e+01 3.054561377e+01 1.86 2.746979354e+01 2.746979354e+01 1.88 2.463411318e+01 2.463411318e+01 1.90 2.202023108e+01 2.202023108e+01 1.92 1.961132791e+01 1.961132791e+01 1.94 1.739211754e+01 1.739211754e+01 1.96 1.534881055e+01 1.534881055e+01 1.98 1.346894237e+01 1.346894237e+01 2.00 1.174108213e+01 1.174108213e+01 2.02 1.015452401e+01 1.015452401e+01 2.04 8.699067650e+00 8.699067650e+00 2.06 7.364935186e+00 7.364935186e+00 2.08 6.142802200e+00 6.142802200e+00 2.10 5.023882858e+00 5.023882858e+00 2.12 4.000012390e+00 4.000012390e+00 2.14 3.063694445e+00 3.063694445e+00 2.16 2.208105279e+00 2.208105279e+00 2.18 1.427061493e+00 1.427061493e+00 2.20 7.149633423e-01 7.149633423e-01 2.22 6.672505814e-02 6.672505814e-02 2.24 -5.222993218e-01 -5.222993218e-01 2.26 -1.056388908e+00 -1.056388908e+00 2.28 -1.539523478e+00 -1.539523478e+00 2.30 -1.975441496e+00 -1.975441496e+00 2.32 -2.367684372e+00 -2.367684372e+00 2.34 -2.719623429e+00 -2.719623429e+00 2.36 -3.034383981e+00 -3.034383981e+00 2.38 -3.314969460e+00 -3.314969460e+00 2.40 -3.564482215e+00 -3.564482215e+00 2.42 -3.785780502e+00 -3.785780502e+00 2.44 -3.981465932e+00 -3.981465932e+00 2.46 -4.153895856e+00 -4.153895856e+00 2.48 -4.305086485e+00 -4.305086485e+00 2.50 -4.436496727e+00 -4.436496727e+00 2.52 -4.549497941e+00 -4.549497941e+00 2.54 -4.645444285e+00 -4.645444285e+00 2.56 -4.725623707e+00 -4.725623707e+00 2.58 -4.791225126e+00 -4.791225126e+00 2.60 -4.843325197e+00 -4.843325197e+00 2.62 -4.882891861e+00 -4.882891861e+00 2.64 -4.910797963e+00 -4.910797963e+00 2.66 -4.927838090e+00 -4.927838090e+00 2.68 -4.934744229e+00 -4.934744229e+00 2.70 -4.932198654e+00 -4.932198654e+00 2.72 -4.920844407e+00 -4.920844407e+00 2.74 -4.901294443e+00 -4.901294443e+00 2.76 -4.874235040e+00 -4.874235040e+00 2.78 -4.840839238e+00 -4.840839238e+00 2.80 -4.801506784e+00 -4.801506784e+00 2.82 -4.756520898e+00 -4.756520898e+00 2.84 -4.706223718e+00 -4.706223718e+00 2.86 -4.651011546e+00 -4.651011546e+00 2.88 -4.591325356e+00 -4.591325356e+00 2.90 -4.527637713e+00 -4.527637713e+00 2.92 -4.460437259e+00 -4.460437259e+00 2.94 -4.390255410e+00 -4.390255410e+00 2.96 -4.317625435e+00 -4.317625435e+00 2.98 -4.242918711e+00 -4.242918711e+00 3.00 -4.166423634e+00 -4.166423634e+00 3.02 -4.088365887e+00 -4.088365887e+00 3.04 -4.008909119e+00 -4.008909119e+00 3.06 -3.928162468e+00 -3.928162468e+00 3.08 -3.846192640e+00 -3.846192640e+00 3.10 -3.763038161e+00 -3.763038161e+00 3.12 -3.678723958e+00 -3.678723958e+00 3.14 -3.593275123e+00 -3.593275123e+00 3.16 -3.506729306e+00 -3.506729306e+00 3.18 -3.419147510e+00 -3.419147510e+00 3.20 -3.330623045e+00 -3.330623045e+00 3.22 -3.241288294e+00 -3.241288294e+00 3.24 -3.151318752e+00 -3.151318752e+00 3.26 -3.060933710e+00 -3.060933710e+00 3.28 -2.970393044e+00 -2.970393044e+00 3.30 -2.879989854e+00 -2.879989854e+00 3.32 -2.790039219e+00 -2.790039219e+00 3.34 -2.700863879e+00 -2.700863879e+00 3.36 -2.612778225e+00 -2.612778225e+00 3.38 -2.526072299e+00 -2.526072299e+00 3.40 -2.440997584e+00 -2.440997584e+00 3.42 -2.357756069e+00 -2.357756069e+00 3.44 -2.276493548e+00 -2.276493548e+00 3.46 -2.197297481e+00 -2.197297481e+00 3.48 -2.120199105e+00 -2.120199105e+00 3.50 -2.045179047e+00 -2.045179047e+00 3.52 -1.972175429e+00 -1.972175429e+00 3.54 -1.901093431e+00 -1.901093431e+00 3.56 -1.831815403e+00 -1.831815403e+00 3.58 -1.764210823e+00 -1.764210823e+00 3.60 -1.698145644e+00 -1.698145644e+00 3.62 -1.633490737e+00 -1.633490737e+00 3.64 -1.570129310e+00 -1.570129310e+00 3.66 -1.507963200e+00 -1.507963200e+00 3.68 -1.446917996e+00 -1.446917996e+00 3.70 -1.386946867e+00 -1.386946867e+00 3.72 -1.328032977e+00 -1.328032977e+00 3.74 -1.270190288e+00 -1.270190288e+00 3.76 -1.213462630e+00 -1.213462630e+00 3.78 -1.157920914e+00 -1.157920914e+00 3.80 -1.103658559e+00 -1.103658559e+00 3.82 -1.050785314e+00 -1.050785314e+00 3.84 -9.994199002e-01 -9.994199002e-01 3.86 -9.496820415e-01 -9.496820415e-01 3.88 -9.016845630e-01 -9.016845630e-01 3.90 -8.555262751e-01 -8.555262751e-01 3.92 -8.112862624e-01 -8.112862624e-01 3.94 -7.690200348e-01 -7.690200348e-01 3.96 -7.287577521e-01 -7.287577521e-01 3.98 -6.905044903e-01 -6.905044903e-01 4.00 -6.542422732e-01 -6.542422732e-01 4.02 -6.199334215e-01 -6.199334215e-01 4.04 -5.875246705e-01 -5.875246705e-01 4.06 -5.569514853e-01 -5.569514853e-01 4.08 -5.281420638e-01 -5.281420638e-01 4.10 -5.010206337e-01 -5.010206337e-01 4.12 -4.755098206e-01 -4.755098206e-01 4.14 -4.515320203e-01 -4.515320203e-01 4.16 -4.290099059e-01 -4.290099059e-01 4.18 -4.078662917e-01 -4.078662917e-01 4.20 -3.880236602e-01 -3.880236602e-01 4.22 -3.694036458e-01 -3.694036458e-01 4.24 -3.519267106e-01 -3.519267106e-01 4.26 -3.355121466e-01 -3.355121466e-01 4.28 -3.200784393e-01 -3.200784393e-01 4.30 -3.055439313e-01 -3.055439313e-01 4.32 -2.918276688e-01 -2.918276688e-01 4.34 -2.788503502e-01 -2.788503502e-01 4.36 -2.665352311e-01 -2.665352311e-01 4.38 -2.548088859e-01 -2.548088859e-01 4.40 -2.436018081e-01 -2.436018081e-01 4.42 -2.328488530e-01 -2.328488530e-01 4.44 -2.224893604e-01 -2.224893604e-01 4.46 -2.124679884e-01 -2.124679884e-01 4.48 -2.027345113e-01 -2.027345113e-01 4.50 -1.932438879e-01 -1.932438879e-01 4.52 -1.839565009e-01 -1.839565009e-01 4.54 -1.748384334e-01 -1.748384334e-01 4.56 -1.658617994e-01 -1.658617994e-01 4.58 -1.570051216e-01 -1.570051216e-01 4.60 -1.482537339e-01 -1.482537339e-01 4.62 -1.396001574e-01 -1.396001574e-01 4.64 -1.310443872e-01 -1.310443872e-01 4.66 -1.225940093e-01 -1.225940093e-01 4.68 -1.142640631e-01 -1.142640631e-01 4.70 -1.060765753e-01 -1.060765753e-01 4.72 -9.805970777e-02 -9.805970777e-02 4.74 -9.024650462e-02 -9.024650462e-02 4.76 -8.267326741e-02 -8.267326741e-02 4.78 -7.537764265e-02 -7.537764265e-02 4.80 -6.839655358e-02 -6.839655358e-02 4.82 -6.176414433e-02 -6.176414433e-02 4.84 -5.550990740e-02 -5.550990740e-02 4.86 -4.965716308e-02 -4.965716308e-02 4.88 -4.422200429e-02 -4.422200429e-02 4.90 -3.921276620e-02 -3.921276620e-02 4.92 -3.463003521e-02 -3.463003521e-02 4.94 -3.046712591e-02 -3.046712591e-02 4.96 -2.671093229e-02 -2.671093229e-02 4.98 -2.334301998e-02 -2.334301998e-02 5.00 -2.034084878e-02 -2.034084878e-02 5.02 -1.767901122e-02 -1.767901122e-02 5.04 -1.532999624e-02 -1.532999624e-02 5.06 -1.326587249e-02 -1.326587249e-02 5.08 -1.145948346e-02 -1.145948346e-02 5.10 -9.884301065e-03 -9.884301065e-03 5.12 -8.515006754e-03 -8.515006754e-03 5.14 -7.327887639e-03 -7.327887639e-03 5.16 -6.301074364e-03 -6.301074364e-03 5.18 -5.414653299e-03 -5.414653299e-03 5.20 -4.650683383e-03 -4.650683383e-03 5.22 -3.993144130e-03 -3.993144130e-03 5.24 -3.427836886e-03 -3.427836886e-03 5.26 -2.942256926e-03 -2.942256926e-03 5.28 -2.525449918e-03 -2.525449918e-03 5.30 -2.167862738e-03 -2.167862738e-03 5.32 -1.861195703e-03 -1.861195703e-03 5.34 -1.598260996e-03 -1.598260996e-03 5.36 -1.372850241e-03 -1.372850241e-03 5.38 -1.179612897e-03 -1.179612897e-03 5.40 -1.013946151e-03 -1.013946151e-03 5.42 -8.718963535e-04 -8.718963535e-04 5.44 -7.500715825e-04 -7.500715825e-04 5.46 -6.455646414e-04 -6.455646414e-04 5.48 -5.558856666e-04 -5.558856666e-04 5.50 -4.789034295e-04 -4.789034295e-04 5.52 -4.127944257e-04 -4.127944257e-04 5.54 -3.559988649e-04 -3.559988649e-04 5.56 -3.071827342e-04 -3.071827342e-04 5.58 -2.652051708e-04 -2.652051708e-04 5.60 -2.290904548e-04 -2.290904548e-04 5.62 -1.980040042e-04 -1.980040042e-04 5.64 -1.712318260e-04 -1.712318260e-04 5.66 -1.481629431e-04 -1.481629431e-04 5.68 -1.282743768e-04 -1.282743768e-04 5.70 -1.111183215e-04 -1.111183215e-04 5.72 -9.631119646e-05 -9.631119646e-05 5.74 -8.352430060e-05 -8.352430060e-05 5.76 -7.247583938e-05 -7.247583938e-05 5.78 -6.292412096e-05 -6.292412096e-05 5.80 -5.466175069e-05 -5.466175069e-05 5.82 -4.751067679e-05 -4.751067679e-05 5.84 -4.131796166e-05 -4.131796166e-05 5.86 -3.595217176e-05 -3.595217176e-05 5.88 -3.130029463e-05 -3.130029463e-05 5.90 -2.726510531e-05 -2.726510531e-05 5.92 -2.376291582e-05 -2.376291582e-05 5.94 -2.072165119e-05 -2.072165119e-05 5.96 -1.807920402e-05 -1.807920402e-05 5.98 -1.578202667e-05 -1.578202667e-05 6.00 -1.378392606e-05 -1.378392606e-05