# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = Al2CoNi # 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 2025-07-01 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 5.230384350e+02 5.230384350e+02 1.00 4.782504943e+02 4.782504943e+02 1.02 4.362892842e+02 4.362892842e+02 1.04 3.973265727e+02 3.973265727e+02 1.06 3.613942451e+02 3.613942451e+02 1.08 3.284293044e+02 3.284293044e+02 1.10 2.983069659e+02 2.983069659e+02 1.12 2.708647144e+02 2.708647144e+02 1.14 2.459195689e+02 2.459195689e+02 1.16 2.232802608e+02 2.232802608e+02 1.18 2.027556208e+02 2.027556208e+02 1.20 1.841601726e+02 1.841601726e+02 1.22 1.673176816e+02 1.673176816e+02 1.24 1.520632296e+02 1.520632296e+02 1.26 1.382442403e+02 1.382442403e+02 1.28 1.257207751e+02 1.257207751e+02 1.30 1.143653358e+02 1.143653358e+02 1.32 1.040623462e+02 1.040623462e+02 1.34 9.470743896e+01 9.470743896e+01 1.36 8.620663850e+01 8.620663850e+01 1.38 7.847549994e+01 7.847549994e+01 1.40 7.143825020e+01 7.143825020e+01 1.42 6.502695823e+01 6.502695823e+01 1.44 5.918075101e+01 5.918075101e+01 1.46 5.384508721e+01 5.384508721e+01 1.48 4.897109148e+01 4.897109148e+01 1.50 4.451495037e+01 4.451495037e+01 1.52 4.043736928e+01 4.043736928e+01 1.54 3.670308567e+01 3.670308567e+01 1.56 3.328043532e+01 3.328043532e+01 1.58 3.014096722e+01 3.014096722e+01 1.60 2.725910139e+01 2.725910139e+01 1.62 2.461182614e+01 2.461182614e+01 1.64 2.217842992e+01 2.217842992e+01 1.66 1.994026334e+01 1.994026334e+01 1.68 1.788052854e+01 1.788052854e+01 1.70 1.598409181e+01 1.598409181e+01 1.72 1.423730998e+01 1.423730998e+01 1.74 1.262781877e+01 1.262781877e+01 1.76 1.114435754e+01 1.114435754e+01 1.78 9.776670919e+00 9.776670919e+00 1.80 8.515424504e+00 8.515424504e+00 1.82 7.352127542e+00 7.352127542e+00 1.84 6.279062307e+00 6.279062307e+00 1.86 5.289219266e+00 5.289219266e+00 1.88 4.376237382e+00 4.376237382e+00 1.90 3.534349272e+00 3.534349272e+00 1.92 2.758330577e+00 2.758330577e+00 1.94 2.043453205e+00 2.043453205e+00 1.96 1.385442124e+00 1.385442124e+00 1.98 7.804318699e-01 7.804318699e-01 2.00 2.249035056e-01 2.249035056e-01 2.02 -2.844147623e-01 -2.844147623e-01 2.04 -7.505943990e-01 -7.505943990e-01 2.06 -1.176519229e+00 -1.176519229e+00 2.08 -1.564896383e+00 -1.564896383e+00 2.10 -1.918266649e+00 -1.918266649e+00 2.12 -2.239014209e+00 -2.239014209e+00 2.14 -2.529375836e+00 -2.529375836e+00 2.16 -2.791449579e+00 -2.791449579e+00 2.18 -3.027202928e+00 -3.027202928e+00 2.20 -3.238480536e+00 -3.238480536e+00 2.22 -3.427011495e+00 -3.427011495e+00 2.24 -3.594416187e+00 -3.594416187e+00 2.26 -3.742212751e+00 -3.742212751e+00 2.28 -3.871823181e+00 -3.871823181e+00 2.30 -3.984579062e+00 -3.984579062e+00 2.32 -4.081726991e+00 -4.081726991e+00 2.34 -4.164433671e+00 -4.164433671e+00 2.36 -4.233790722e+00 -4.233790722e+00 2.38 -4.290819206e+00 -4.290819206e+00 2.40 -4.336473896e+00 -4.336473896e+00 2.42 -4.371647290e+00 -4.371647290e+00 2.44 -4.397173397e+00 -4.397173397e+00 2.46 -4.413831300e+00 -4.413831300e+00 2.48 -4.422348514e+00 -4.422348514e+00 2.50 -4.423404141e+00 -4.423404141e+00 2.52 -4.417631845e+00 -4.417631845e+00 2.54 -4.405622655e+00 -4.405622655e+00 2.56 -4.387927594e+00 -4.387927594e+00 2.58 -4.365060161e+00 -4.365060161e+00 2.60 -4.337498665e+00 -4.337498665e+00 2.62 -4.305688414e+00 -4.305688414e+00 2.64 -4.270043785e+00 -4.270043785e+00 2.66 -4.230950165e+00 -4.230950165e+00 2.68 -4.188765772e+00 -4.188765772e+00 2.70 -4.143823375e+00 -4.143823375e+00 2.72 -4.096431909e+00 -4.096431909e+00 2.74 -4.046877990e+00 -4.046877990e+00 2.76 -3.995427341e+00 -3.995427341e+00 2.78 -3.942326133e+00 -3.942326133e+00 2.80 -3.887802241e+00 -3.887802241e+00 2.82 -3.832066431e+00 -3.832066431e+00 2.84 -3.775313468e+00 -3.775313468e+00 2.86 -3.717723158e+00 -3.717723158e+00 2.88 -3.659461329e+00 -3.659461329e+00 2.90 -3.600680751e+00 -3.600680751e+00 2.92 -3.541521998e+00 -3.541521998e+00 2.94 -3.482114257e+00 -3.482114257e+00 2.96 -3.422576091e+00 -3.422576091e+00 2.98 -3.363016147e+00 -3.363016147e+00 3.00 -3.303533829e+00 -3.303533829e+00 3.02 -3.244219922e+00 -3.244219922e+00 3.04 -3.185157182e+00 -3.185157182e+00 3.06 -3.126420886e+00 -3.126420886e+00 3.08 -3.068079338e+00 -3.068079338e+00 3.10 -3.010194375e+00 -3.010194375e+00 3.12 -2.952821802e+00 -2.952821802e+00 3.14 -2.896011821e+00 -2.896011821e+00 3.16 -2.839809430e+00 -2.839809430e+00 3.18 -2.784254791e+00 -2.784254791e+00 3.20 -2.729383579e+00 -2.729383579e+00 3.22 -2.675227311e+00 -2.675227311e+00 3.24 -2.621813644e+00 -2.621813644e+00 3.26 -2.569166664e+00 -2.569166664e+00 3.28 -2.517307151e+00 -2.517307151e+00 3.30 -2.466252823e+00 -2.466252823e+00 3.32 -2.416018576e+00 -2.416018576e+00 3.34 -2.366616691e+00 -2.366616691e+00 3.36 -2.318057044e+00 -2.318057044e+00 3.38 -2.270347290e+00 -2.270347290e+00 3.40 -2.223493040e+00 -2.223493040e+00 3.42 -2.177498024e+00 -2.177498024e+00 3.44 -2.132364246e+00 -2.132364246e+00 3.46 -2.088092123e+00 -2.088092123e+00 3.48 -2.044680618e+00 -2.044680618e+00 3.50 -2.002127365e+00 -2.002127365e+00 3.52 -1.960428781e+00 -1.960428781e+00 3.54 -1.919580175e+00 -1.919580175e+00 3.56 -1.879575842e+00 -1.879575842e+00 3.58 -1.840409161e+00 -1.840409161e+00 3.60 -1.802072674e+00 -1.802072674e+00 3.62 -1.764558169e+00 -1.764558169e+00 3.64 -1.727856751e+00 -1.727856751e+00 3.66 -1.691958908e+00 -1.691958908e+00 3.68 -1.656854578e+00 -1.656854578e+00 3.70 -1.622533201e+00 -1.622533201e+00 3.72 -1.588983777e+00 -1.588983777e+00 3.74 -1.556194912e+00 -1.556194912e+00 3.76 -1.524154865e+00 -1.524154865e+00 3.78 -1.492851590e+00 -1.492851590e+00 3.80 -1.462272771e+00 -1.462272771e+00 3.82 -1.432405861e+00 -1.432405861e+00 3.84 -1.403238112e+00 -1.403238112e+00 3.86 -1.374756608e+00 -1.374756608e+00 3.88 -1.346948286e+00 -1.346948286e+00 3.90 -1.319799969e+00 -1.319799969e+00 3.92 -1.293298380e+00 -1.293298380e+00 3.94 -1.267430172e+00 -1.267430172e+00 3.96 -1.242181939e+00 -1.242181939e+00 3.98 -1.217540241e+00 -1.217540241e+00 4.00 -1.193491613e+00 -1.193491613e+00 4.02 -1.170022586e+00 -1.170022586e+00 4.04 -1.147119696e+00 -1.147119696e+00 4.06 -1.124769502e+00 -1.124769502e+00 4.08 -1.102958591e+00 -1.102958591e+00 4.10 -1.081673596e+00 -1.081673596e+00 4.12 -1.060901200e+00 -1.060901200e+00 4.14 -1.040628151e+00 -1.040628151e+00 4.16 -1.020841269e+00 -1.020841269e+00 4.18 -1.001527456e+00 -1.001527456e+00 4.20 -9.826737028e-01 -9.826737028e-01 4.22 -9.642671009e-01 -9.642671009e-01 4.24 -9.462948488e-01 -9.462948488e-01 4.26 -9.288721875e-01 -9.288721875e-01 4.28 -9.145867607e-01 -9.145867607e-01 4.30 -9.096352757e-01 -9.096352757e-01 4.32 -9.077832987e-01 -9.077832987e-01 4.34 -8.916500326e-01 -8.916500326e-01 4.36 -8.749605164e-01 -8.749605164e-01 4.38 -8.585428834e-01 -8.585428834e-01 4.40 -8.423908266e-01 -8.423908266e-01 4.42 -8.264985056e-01 -8.264985056e-01 4.44 -8.108605280e-01 -8.108605280e-01 4.46 -7.954719286e-01 -7.954719286e-01 4.48 -7.803281465e-01 -7.803281465e-01 4.50 -7.654249998e-01 -7.654249998e-01 4.52 -7.507586590e-01 -7.507586590e-01 4.54 -7.363256193e-01 -7.363256193e-01 4.56 -7.221226720e-01 -7.221226720e-01 4.58 -7.081468748e-01 -7.081468748e-01 4.60 -6.943955234e-01 -6.943955234e-01 4.62 -6.808661213e-01 -6.808661213e-01 4.64 -6.675563523e-01 -6.675563523e-01 4.66 -6.544640521e-01 -6.544640521e-01 4.68 -6.415871821e-01 -6.415871821e-01 4.70 -6.289238042e-01 -6.289238042e-01 4.72 -6.164720569e-01 -6.164720569e-01 4.74 -6.042301340e-01 -6.042301340e-01 4.76 -5.921962639e-01 -5.921962639e-01 4.78 -5.803686919e-01 -5.803686919e-01 4.80 -5.687456645e-01 -5.687456645e-01 4.82 -5.573254145e-01 -5.573254145e-01 4.84 -5.461061500e-01 -5.461061500e-01 4.86 -5.350860435e-01 -5.350860435e-01 4.88 -5.242632246e-01 -5.242632246e-01 4.90 -5.136357728e-01 -5.136357728e-01 4.92 -5.024991920e-01 -5.024991920e-01 4.94 -4.817167962e-01 -4.817167962e-01 4.96 -4.229561132e-01 -4.229561132e-01 4.98 -2.624375390e-01 -2.624375390e-01 5.00 -3.194743340e-22 -3.194935794e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 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