# 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 = AlMg2Pd # 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 2.605626692e+02 2.605626692e+02 1.30 2.416053716e+02 2.416053716e+02 1.32 2.240511611e+02 2.240511611e+02 1.34 2.077897097e+02 2.077897097e+02 1.36 1.927192481e+02 1.927192481e+02 1.38 1.787457514e+02 1.787457514e+02 1.40 1.657826878e+02 1.657826878e+02 1.42 1.537508816e+02 1.537508816e+02 1.44 1.425782613e+02 1.425782613e+02 1.46 1.321991311e+02 1.321991311e+02 1.48 1.225531753e+02 1.225531753e+02 1.50 1.135849275e+02 1.135849275e+02 1.52 1.052437503e+02 1.052437503e+02 1.54 9.748361826e+01 9.748361826e+01 1.56 9.026244910e+01 9.026244910e+01 1.58 8.354194559e+01 8.354194559e+01 1.60 7.729864786e+01 7.729864786e+01 1.62 7.150203871e+01 7.150203871e+01 1.64 6.612006850e+01 6.612006850e+01 1.66 6.112157441e+01 6.112157441e+01 1.68 5.647769846e+01 5.647769846e+01 1.70 5.216203874e+01 5.216203874e+01 1.72 4.815059030e+01 4.815059030e+01 1.74 4.442154083e+01 4.442154083e+01 1.76 4.095495693e+01 4.095495693e+01 1.78 3.773249362e+01 3.773249362e+01 1.80 3.473719631e+01 3.473719631e+01 1.82 3.195337413e+01 3.195337413e+01 1.84 2.936649537e+01 2.936649537e+01 1.86 2.696308648e+01 2.696308648e+01 1.88 2.473062128e+01 2.473062128e+01 1.90 2.265741225e+01 2.265741225e+01 1.92 2.073250647e+01 2.073250647e+01 1.94 1.894558367e+01 1.894558367e+01 1.96 1.728687349e+01 1.728687349e+01 1.98 1.574711712e+01 1.574711712e+01 2.00 1.431759749e+01 1.431759749e+01 2.02 1.299021919e+01 1.299021919e+01 2.04 1.175758200e+01 1.175758200e+01 2.06 1.061298955e+01 1.061298955e+01 2.08 9.550380280e+00 9.550380280e+00 2.10 8.564217313e+00 8.564217313e+00 2.12 7.649380024e+00 7.649380024e+00 2.14 6.801087188e+00 6.801087188e+00 2.16 6.014855137e+00 6.014855137e+00 2.18 5.286479271e+00 5.286479271e+00 2.20 4.612030054e+00 4.612030054e+00 2.22 3.987850148e+00 3.987850148e+00 2.24 3.410552143e+00 3.410552143e+00 2.26 2.877013682e+00 2.877013682e+00 2.28 2.384366601e+00 2.384366601e+00 2.30 1.929984505e+00 1.929984505e+00 2.32 1.511457981e+00 1.511457981e+00 2.34 1.126569518e+00 1.126569518e+00 2.36 7.732617428e-01 7.732617428e-01 2.38 4.496067787e-01 4.496067787e-01 2.40 1.537763388e-01 1.537763388e-01 2.42 -1.159869147e-01 -1.159869147e-01 2.44 -3.613930774e-01 -3.613930774e-01 2.46 -5.841241572e-01 -5.841241572e-01 2.48 -7.858425704e-01 -7.858425704e-01 2.50 -9.681875496e-01 -9.681875496e-01 2.52 -1.132760301e+00 -1.132760301e+00 2.54 -1.281191345e+00 -1.281191345e+00 2.56 -1.415221278e+00 -1.415221278e+00 2.58 -1.536318950e+00 -1.536318950e+00 2.60 -1.646154851e+00 -1.646154851e+00 2.62 -1.745512141e+00 -1.745512141e+00 2.64 -1.835089842e+00 -1.835089842e+00 2.66 -1.915528996e+00 -1.915528996e+00 2.68 -1.987395000e+00 -1.987395000e+00 2.70 -2.051171706e+00 -2.051171706e+00 2.72 -2.107285592e+00 -2.107285592e+00 2.74 -2.156130090e+00 -2.156130090e+00 2.76 -2.198064186e+00 -2.198064186e+00 2.78 -2.233423016e+00 -2.233423016e+00 2.80 -2.262525168e+00 -2.262525168e+00 2.82 -2.285682221e+00 -2.285682221e+00 2.84 -2.303207442e+00 -2.303207442e+00 2.86 -2.315420211e+00 -2.315420211e+00 2.88 -2.322648513e+00 -2.322648513e+00 2.90 -2.325229353e+00 -2.325229353e+00 2.92 -2.323507207e+00 -2.323507207e+00 2.94 -2.317830986e+00 -2.317830986e+00 2.96 -2.308550454e+00 -2.308550454e+00 2.98 -2.296013285e+00 -2.296013285e+00 3.00 -2.280563548e+00 -2.280563548e+00 3.02 -2.262541399e+00 -2.262541399e+00 3.04 -2.242282457e+00 -2.242282457e+00 3.06 -2.220116730e+00 -2.220116730e+00 3.08 -2.196361651e+00 -2.196361651e+00 3.10 -2.171315418e+00 -2.171315418e+00 3.12 -2.145247178e+00 -2.145247178e+00 3.14 -2.118390908e+00 -2.118390908e+00 3.16 -2.090938395e+00 -2.090938395e+00 3.18 -2.063041086e+00 -2.063041086e+00 3.20 -2.034813576e+00 -2.034813576e+00 3.22 -2.006347915e+00 -2.006347915e+00 3.24 -1.977729986e+00 -1.977729986e+00 3.26 -1.948987339e+00 -1.948987339e+00 3.28 -1.920139184e+00 -1.920139184e+00 3.30 -1.891205098e+00 -1.891205098e+00 3.32 -1.862206749e+00 -1.862206749e+00 3.34 -1.833168058e+00 -1.833168058e+00 3.36 -1.804114453e+00 -1.804114453e+00 3.38 -1.775071869e+00 -1.775071869e+00 3.40 -1.746065948e+00 -1.746065948e+00 3.42 -1.717117381e+00 -1.717117381e+00 3.44 -1.688219437e+00 -1.688219437e+00 3.46 -1.659359761e+00 -1.659359761e+00 3.48 -1.630533430e+00 -1.630533430e+00 3.50 -1.601741886e+00 -1.601741886e+00 3.52 -1.572991897e+00 -1.572991897e+00 3.54 -1.544294435e+00 -1.544294435e+00 3.56 -1.515663521e+00 -1.515663521e+00 3.58 -1.487115108e+00 -1.487115108e+00 3.60 -1.458666074e+00 -1.458666074e+00 3.62 -1.430333345e+00 -1.430333345e+00 3.64 -1.402133191e+00 -1.402133191e+00 3.66 -1.374080686e+00 -1.374080686e+00 3.68 -1.346189349e+00 -1.346189349e+00 3.70 -1.318470939e+00 -1.318470939e+00 3.72 -1.290935415e+00 -1.290935415e+00 3.74 -1.263591021e+00 -1.263591021e+00 3.76 -1.236444498e+00 -1.236444498e+00 3.78 -1.209501358e+00 -1.209501358e+00 3.80 -1.182766202e+00 -1.182766202e+00 3.82 -1.156243016e+00 -1.156243016e+00 3.84 -1.129935404e+00 -1.129935404e+00 3.86 -1.103846715e+00 -1.103846715e+00 3.88 -1.077980072e+00 -1.077980072e+00 3.90 -1.052338316e+00 -1.052338316e+00 3.92 -1.026923782e+00 -1.026923782e+00 3.94 -1.001738957e+00 -1.001738957e+00 3.96 -9.767855558e-01 -9.767855558e-01 3.98 -9.520655608e-01 -9.520655608e-01 4.00 -9.275814801e-01 -9.275814801e-01 4.02 -9.033369134e-01 -9.033369134e-01 4.04 -8.793371353e-01 -8.793371353e-01 4.06 -8.555895990e-01 -8.555895990e-01 4.08 -8.321042727e-01 -8.321042727e-01 4.10 -8.088931902e-01 -8.088931902e-01 4.12 -7.859726782e-01 -7.859726782e-01 4.14 -7.633592901e-01 -7.633592901e-01 4.16 -7.410719617e-01 -7.410719617e-01 4.18 -7.191307773e-01 -7.191307773e-01 4.20 -6.975564721e-01 -6.975564721e-01 4.22 -6.763700166e-01 -6.763700166e-01 4.24 -6.555922859e-01 -6.555922859e-01 4.26 -6.352437628e-01 -6.352437628e-01 4.28 -6.153441925e-01 -6.153441925e-01 4.30 -5.959121009e-01 -5.959121009e-01 4.32 -5.769641232e-01 -5.769641232e-01 4.34 -5.585141454e-01 -5.585141454e-01 4.36 -5.405723257e-01 -5.405723257e-01 4.38 -5.231441186e-01 -5.231441186e-01 4.40 -5.062294430e-01 -5.062294430e-01 4.42 -4.898221282e-01 -4.898221282e-01 4.44 -4.739097273e-01 -4.739097273e-01 4.46 -4.584737306e-01 -4.584737306e-01 4.48 -4.434901535e-01 -4.434901535e-01 4.50 -4.289304285e-01 -4.289304285e-01 4.52 -4.147625074e-01 -4.147625074e-01 4.54 -4.009520745e-01 -4.009520745e-01 4.56 -3.874637831e-01 -3.874637831e-01 4.58 -3.742624490e-01 -3.742624490e-01 4.60 -3.613141509e-01 -3.613141509e-01 4.62 -3.485872110e-01 -3.485872110e-01 4.64 -3.360530337e-01 -3.360530337e-01 4.66 -3.236867922e-01 -3.236867922e-01 4.68 -3.114679536e-01 -3.114679536e-01 4.70 -2.993806342e-01 -2.993806342e-01 4.72 -2.874137850e-01 -2.874137850e-01 4.74 -2.755612122e-01 -2.755612122e-01 4.76 -2.638214498e-01 -2.638214498e-01 4.78 -2.521975162e-01 -2.521975162e-01 4.80 -2.406962220e-01 -2.406962220e-01 4.82 -2.293293665e-01 -2.293293665e-01 4.84 -2.181109606e-01 -2.181109606e-01 4.86 -2.070586098e-01 -2.070586098e-01 4.88 -1.961927763e-01 -1.961927763e-01 4.90 -1.855364894e-01 -1.855364894e-01 4.92 -1.751150092e-01 -1.751150092e-01 4.94 -1.649553853e-01 -1.649553853e-01 4.96 -1.550858599e-01 -1.550858599e-01 4.98 -1.455350869e-01 -1.455350869e-01 5.00 -1.363311764e-01 -1.363311764e-01 5.02 -1.275006079e-01 -1.275006079e-01 5.04 -1.190670968e-01 -1.190670968e-01 5.06 -1.110505138e-01 -1.110505138e-01 5.08 -1.034659650e-01 -1.034659650e-01 5.10 -9.632312100e-02 -9.632312100e-02 5.12 -8.962585535e-02 -8.962585535e-02 5.14 -8.337221551e-02 -8.337221551e-02 5.16 -7.755470744e-02 -7.755470744e-02 5.18 -7.216084757e-02 -7.216084757e-02 5.20 -6.717391227e-02 -6.717391227e-02 5.22 -6.257381721e-02 -6.257381721e-02 5.24 -5.833800783e-02 -5.833800783e-02 5.26 -5.444235835e-02 -5.444235835e-02 5.28 -5.086200857e-02 -5.086200857e-02 5.30 -4.757208056e-02 -4.757208056e-02 5.32 -4.454827309e-02 -4.454827309e-02 5.34 -4.176658573e-02 -4.176658573e-02 5.36 -3.920455926e-02 -3.920455926e-02 5.38 -3.684278579e-02 -3.684278579e-02 5.40 -3.466324208e-02 -3.466324208e-02 5.42 -3.264942324e-02 -3.264942324e-02 5.44 -3.078639131e-02 -3.078639131e-02 5.46 -2.906073809e-02 -2.906073809e-02 5.48 -2.746048719e-02 -2.746048719e-02 5.50 -2.597495693e-02 -2.597495693e-02 5.52 -2.459460279e-02 -2.459460279e-02 5.54 -2.331085533e-02 -2.331085533e-02 5.56 -2.211596599e-02 -2.211596599e-02 5.58 -2.100286971e-02 -2.100286971e-02 5.60 -1.996506997e-02 -1.996506997e-02 5.62 -1.899654805e-02 -1.899654805e-02 5.64 -1.809169582e-02 -1.809169582e-02 5.66 -1.724526895e-02 -1.724526895e-02 5.68 -1.645235641e-02 -1.645235641e-02 5.70 -1.570836149e-02 -1.570836149e-02 5.72 -1.500899018e-02 -1.500899018e-02 5.74 -1.435024264e-02 -1.435024264e-02 5.76 -1.372837973e-02 -1.372837973e-02 5.78 -1.313995755e-02 -1.313995755e-02 5.80 -1.258181968e-02 -1.258181968e-02 5.82 -1.205106592e-02 -1.205106592e-02 5.84 -1.154503882e-02 -1.154503882e-02 5.86 -1.106130886e-02 -1.106130886e-02 5.88 -1.059765913e-02 -1.059765913e-02 5.90 -1.015207020e-02 -1.015207020e-02 5.92 -9.722705808e-03 -9.722705808e-03 5.94 -9.307899860e-03 -9.307899860e-03 5.96 -8.906145366e-03 -8.906145366e-03 5.98 -8.516085462e-03 -8.516085462e-03 6.00 -8.136506833e-03 -8.136506833e-03