# 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 = Ag2AlAu # 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 2.302074506e+02 2.302074506e+02 1.30 2.135412063e+02 2.135412063e+02 1.32 1.980965034e+02 1.980965034e+02 1.34 1.837768392e+02 1.837768392e+02 1.36 1.704932870e+02 1.704932870e+02 1.38 1.581638996e+02 1.581638996e+02 1.40 1.467135998e+02 1.467135998e+02 1.42 1.360741107e+02 1.360741107e+02 1.44 1.261836777e+02 1.261836777e+02 1.46 1.169864093e+02 1.169864093e+02 1.48 1.084313426e+02 1.084313426e+02 1.50 1.004716285e+02 1.004716285e+02 1.52 9.306401667e+01 9.306401667e+01 1.54 8.616846213e+01 8.616846213e+01 1.56 7.974773477e+01 7.974773477e+01 1.58 7.376711448e+01 7.376711448e+01 1.60 6.819423248e+01 6.819423248e+01 1.62 6.299900157e+01 6.299900157e+01 1.64 5.815534839e+01 5.815534839e+01 1.66 5.364782209e+01 5.364782209e+01 1.68 4.945516363e+01 4.945516363e+01 1.70 4.555683383e+01 4.555683383e+01 1.72 4.193226573e+01 4.193226573e+01 1.74 3.856169583e+01 3.856169583e+01 1.76 3.542695108e+01 3.542695108e+01 1.78 3.251124013e+01 3.251124013e+01 1.80 2.979901416e+01 2.979901416e+01 1.82 2.727591292e+01 2.727591292e+01 1.84 2.492875530e+01 2.492875530e+01 1.86 2.274551876e+01 2.274551876e+01 1.88 2.071527514e+01 2.071527514e+01 1.90 1.882807609e+01 1.882807609e+01 1.92 1.707479140e+01 1.707479140e+01 1.94 1.544691542e+01 1.544691542e+01 1.96 1.393637961e+01 1.393637961e+01 1.98 1.253542696e+01 1.253542696e+01 2.00 1.123658517e+01 1.123658517e+01 2.02 1.003272341e+01 1.003272341e+01 2.04 8.917134188e+00 8.917134188e+00 2.06 7.883581909e+00 7.883581909e+00 2.08 6.926297444e+00 6.926297444e+00 2.10 6.039934488e+00 6.039934488e+00 2.12 5.219516466e+00 5.219516466e+00 2.14 4.460394055e+00 4.460394055e+00 2.16 3.758220400e+00 3.758220400e+00 2.18 3.108942410e+00 3.108942410e+00 2.20 2.508802244e+00 2.508802244e+00 2.22 1.954340997e+00 1.954340997e+00 2.24 1.442397010e+00 1.442397010e+00 2.26 9.700945637e-01 9.700945637e-01 2.28 5.348233810e-01 5.348233810e-01 2.30 1.342123629e-01 1.342123629e-01 2.32 -2.338988096e-01 -2.338988096e-01 2.34 -5.714877750e-01 -5.714877750e-01 2.36 -8.803764876e-01 -8.803764876e-01 2.38 -1.162256740e+00 -1.162256740e+00 2.40 -1.418714104e+00 -1.418714104e+00 2.42 -1.651250073e+00 -1.651250073e+00 2.44 -1.861302120e+00 -1.861302120e+00 2.46 -2.050261384e+00 -2.050261384e+00 2.48 -2.219487543e+00 -2.219487543e+00 2.50 -2.370320592e+00 -2.370320592e+00 2.52 -2.504089585e+00 -2.504089585e+00 2.54 -2.622118769e+00 -2.622118769e+00 2.56 -2.725730816e+00 -2.725730816e+00 2.58 -2.816244769e+00 -2.816244769e+00 2.60 -2.894964231e+00 -2.894964231e+00 2.62 -2.963152077e+00 -2.963152077e+00 2.64 -3.022048071e+00 -3.022048071e+00 2.66 -3.073104009e+00 -3.073104009e+00 2.68 -3.117595415e+00 -3.117595415e+00 2.70 -3.155883531e+00 -3.155883531e+00 2.72 -3.188247801e+00 -3.188247801e+00 2.74 -3.214907650e+00 -3.214907650e+00 2.76 -3.236039717e+00 -3.236039717e+00 2.78 -3.251796729e+00 -3.251796729e+00 2.80 -3.262322788e+00 -3.262322788e+00 2.82 -3.267763439e+00 -3.267763439e+00 2.84 -3.268301031e+00 -3.268301031e+00 2.86 -3.264273960e+00 -3.264273960e+00 2.88 -3.255763752e+00 -3.255763752e+00 2.90 -3.242817391e+00 -3.242817391e+00 2.92 -3.225523908e+00 -3.225523908e+00 2.94 -3.204012646e+00 -3.204012646e+00 2.96 -3.178455019e+00 -3.178455019e+00 2.98 -3.149068551e+00 -3.149068551e+00 3.00 -3.116121194e+00 -3.116121194e+00 3.02 -3.079933606e+00 -3.079933606e+00 3.04 -3.040883027e+00 -3.040883027e+00 3.06 -2.999390940e+00 -2.999390940e+00 3.08 -2.955896563e+00 -2.955896563e+00 3.10 -2.910833641e+00 -2.910833641e+00 3.12 -2.864606439e+00 -2.864606439e+00 3.14 -2.817569492e+00 -2.817569492e+00 3.16 -2.770014678e+00 -2.770014678e+00 3.18 -2.722167283e+00 -2.722167283e+00 3.20 -2.674190048e+00 -2.674190048e+00 3.22 -2.626192824e+00 -2.626192824e+00 3.24 -2.578244854e+00 -2.578244854e+00 3.26 -2.530387187e+00 -2.530387187e+00 3.28 -2.482643583e+00 -2.482643583e+00 3.30 -2.435029147e+00 -2.435029147e+00 3.32 -2.387556598e+00 -2.387556598e+00 3.34 -2.340240436e+00 -2.340240436e+00 3.36 -2.293099420e+00 -2.293099420e+00 3.38 -2.246157766e+00 -2.246157766e+00 3.40 -2.199445395e+00 -2.199445395e+00 3.42 -2.152997529e+00 -2.152997529e+00 3.44 -2.106853792e+00 -2.106853792e+00 3.46 -2.061057028e+00 -2.061057028e+00 3.48 -2.015651948e+00 -2.015651948e+00 3.50 -1.970683717e+00 -1.970683717e+00 3.52 -1.926196575e+00 -1.926196575e+00 3.54 -1.882232576e+00 -1.882232576e+00 3.56 -1.838830481e+00 -1.838830481e+00 3.58 -1.796024844e+00 -1.796024844e+00 3.60 -1.753845298e+00 -1.753845298e+00 3.62 -1.712316045e+00 -1.712316045e+00 3.64 -1.671455541e+00 -1.671455541e+00 3.66 -1.631276357e+00 -1.631276357e+00 3.68 -1.591785218e+00 -1.591785218e+00 3.70 -1.552983200e+00 -1.552983200e+00 3.72 -1.514866078e+00 -1.514866078e+00 3.74 -1.477424825e+00 -1.477424825e+00 3.76 -1.440646220e+00 -1.440646220e+00 3.78 -1.404513577e+00 -1.404513577e+00 3.80 -1.369007532e+00 -1.369007532e+00 3.82 -1.334106864e+00 -1.334106864e+00 3.84 -1.299789299e+00 -1.299789299e+00 3.86 -1.266032242e+00 -1.266032242e+00 3.88 -1.232813397e+00 -1.232813397e+00 3.90 -1.200111238e+00 -1.200111238e+00 3.92 -1.167905306e+00 -1.167905306e+00 3.94 -1.136176360e+00 -1.136176360e+00 3.96 -1.104906337e+00 -1.104906337e+00 3.98 -1.074078259e+00 -1.074078259e+00 4.00 -1.043676058e+00 -1.043676058e+00 4.02 -1.013684435e+00 -1.013684435e+00 4.04 -9.840887966e-01 -9.840887966e-01 4.06 -9.548753511e-01 -9.548753511e-01 4.08 -9.260314077e-01 -9.260314077e-01 4.10 -8.975459077e-01 -8.975459077e-01 4.12 -8.694102686e-01 -8.694102686e-01 4.14 -8.416193404e-01 -8.416193404e-01 4.16 -8.141726613e-01 -8.141726613e-01 4.18 -7.870757216e-01 -7.870757216e-01 4.20 -7.603411663e-01 -7.603411663e-01 4.22 -7.339897448e-01 -7.339897448e-01 4.24 -7.080508050e-01 -7.080508050e-01 4.26 -6.825621405e-01 -6.825621405e-01 4.28 -6.575690456e-01 -6.575690456e-01 4.30 -6.331225159e-01 -6.331225159e-01 4.32 -6.092766521e-01 -6.092766521e-01 4.34 -5.860854522e-01 -5.860854522e-01 4.36 -5.635992954e-01 -5.635992954e-01 4.38 -5.418614902e-01 -5.418614902e-01 4.40 -5.209052701e-01 -5.209052701e-01 4.42 -5.007515534e-01 -5.007515534e-01 4.44 -4.814076695e-01 -4.814076695e-01 4.46 -4.628671072e-01 -4.628671072e-01 4.48 -4.451101993e-01 -4.451101993e-01 4.50 -4.281055562e-01 -4.281055562e-01 4.52 -4.118119996e-01 -4.118119996e-01 4.54 -3.961807439e-01 -3.961807439e-01 4.56 -3.811576032e-01 -3.811576032e-01 4.58 -3.666850589e-01 -3.666850589e-01 4.60 -3.527040875e-01 -3.527040875e-01 4.62 -3.391557053e-01 -3.391557053e-01 4.64 -3.259822385e-01 -3.259822385e-01 4.66 -3.131283538e-01 -3.131283538e-01 4.68 -3.005419085e-01 -3.005419085e-01 4.70 -2.881746819e-01 -2.881746819e-01 4.72 -2.759830450e-01 -2.759830450e-01 4.74 -2.639286184e-01 -2.639286184e-01 4.76 -2.519789463e-01 -2.519789463e-01 4.78 -2.401082002e-01 -2.401082002e-01 4.80 -2.282978915e-01 -2.282978915e-01 4.82 -2.165376007e-01 -2.165376007e-01 4.84 -2.048255536e-01 -2.048255536e-01 4.86 -1.931691184e-01 -1.931691184e-01 4.88 -1.815850125e-01 -1.815850125e-01 4.90 -1.700991767e-01 -1.700991767e-01 4.92 -1.587462230e-01 -1.587462230e-01 4.94 -1.475684026e-01 -1.475684026e-01 4.96 -1.366140801e-01 -1.366140801e-01 4.98 -1.259357566e-01 -1.259357566e-01 5.00 -1.155877394e-01 -1.155877394e-01 5.02 -1.056236135e-01 -1.056236135e-01 5.04 -9.609370063e-02 -9.609370063e-02 5.06 -8.704270452e-02 -8.704270452e-02 5.08 -7.850773561e-02 -7.850773561e-02 5.10 -7.051685378e-02 -7.051685378e-02 5.12 -6.308821881e-02 -6.308821881e-02 5.14 -5.622987578e-02 -5.622987578e-02 5.16 -4.994011492e-02 -4.994011492e-02 5.18 -4.420831600e-02 -4.420831600e-02 5.20 -3.901600059e-02 -3.901600059e-02 5.22 -3.433826398e-02 -3.433826398e-02 5.24 -3.014597697e-02 -3.014597697e-02 5.26 -2.640661412e-02 -2.640661412e-02 5.28 -2.308561141e-02 -2.308561141e-02 5.30 -2.014758177e-02 -2.014758177e-02 5.32 -1.755690386e-02 -1.755690386e-02 5.34 -1.527949808e-02 -1.527949808e-02 5.36 -1.328308862e-02 -1.328308862e-02 5.38 -1.153724260e-02 -1.153724260e-02 5.40 -1.001368512e-02 -1.001368512e-02 5.42 -8.686464526e-03 -8.686464526e-03 5.44 -7.532002226e-03 -7.532002226e-03 5.46 -6.529057490e-03 -6.529057490e-03 5.48 -5.658632535e-03 -5.658632535e-03 5.50 -4.903838445e-03 -4.903838445e-03 5.52 -4.249737950e-03 -4.249737950e-03 5.54 -3.683177184e-03 -3.683177184e-03 5.56 -3.192615253e-03 -3.192615253e-03 5.58 -2.767957827e-03 -2.767957827e-03 5.60 -2.400398862e-03 -2.400398862e-03 5.62 -2.082273001e-03 -2.082273001e-03 5.64 -1.806919991e-03 -1.806919991e-03 5.66 -1.568561643e-03 -1.568561643e-03 5.68 -1.362191218e-03 -1.362191218e-03 5.70 -1.183474789e-03 -1.183474789e-03 5.72 -1.028663815e-03 -1.028663815e-03 5.74 -8.945180845e-04 -8.945180845e-04 5.76 -7.782380835e-04 -7.782380835e-04 5.78 -6.774058525e-04 -6.774058525e-04 5.80 -5.899334273e-04 -5.899334273e-04 5.82 -5.140180006e-04 -5.140180006e-04 5.84 -4.481030099e-04 -4.481030099e-04 5.86 -3.908444276e-04 -3.908444276e-04 5.88 -3.410815972e-04 -3.410815972e-04 5.90 -2.978120328e-04 -2.978120328e-04 5.92 -2.601696622e-04 -2.601696622e-04 5.94 -2.274060565e-04 -2.274060565e-04 5.96 -1.988742464e-04 -1.988742464e-04 5.98 -1.740147726e-04 -1.740147726e-04 6.00 -1.523436670e-04 -1.523436670e-04