# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Kim-Y-K-Jung-W-S-Lee-B-J--Ni-Al-Co # implementation = 2015--Kim-Y-K--Ni-Al-Co--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 2022-05-24 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 3.356101732e+02 3.356101732e+02 0.94 3.142832204e+02 3.142832204e+02 0.96 2.942188806e+02 2.942188806e+02 0.98 2.753453043e+02 2.753453043e+02 1.00 2.575946183e+02 2.575946183e+02 1.02 2.409027103e+02 2.409027103e+02 1.04 2.252090255e+02 2.252090255e+02 1.06 2.104563736e+02 2.104563736e+02 1.08 1.965907460e+02 1.965907460e+02 1.10 1.835611434e+02 1.835611434e+02 1.12 1.713194115e+02 1.713194115e+02 1.14 1.598200863e+02 1.598200863e+02 1.16 1.490202475e+02 1.490202475e+02 1.18 1.388793793e+02 1.388793793e+02 1.20 1.293592394e+02 1.293592394e+02 1.22 1.204237340e+02 1.204237340e+02 1.24 1.120388003e+02 1.120388003e+02 1.26 1.041722954e+02 1.041722954e+02 1.28 9.679389017e+01 9.679389017e+01 1.30 8.987497008e+01 8.987497008e+01 1.32 8.338854038e+01 8.338854038e+01 1.34 7.730913695e+01 7.730913695e+01 1.36 7.161274173e+01 7.161274173e+01 1.38 6.627670278e+01 6.627670278e+01 1.40 6.127965866e+01 6.127965866e+01 1.42 5.660146688e+01 5.660146688e+01 1.44 5.222313624e+01 5.222313624e+01 1.46 4.812676287e+01 4.812676287e+01 1.48 4.429546966e+01 4.429546966e+01 1.50 4.071334911e+01 4.071334911e+01 1.52 3.736540915e+01 3.736540915e+01 1.54 3.423752202e+01 3.423752202e+01 1.56 3.131637590e+01 3.131637590e+01 1.58 2.858942917e+01 2.858942917e+01 1.60 2.604486721e+01 2.604486721e+01 1.62 2.367156151e+01 2.367156151e+01 1.64 2.145903106e+01 2.145903106e+01 1.66 1.939740589e+01 1.939740589e+01 1.68 1.747739253e+01 1.747739253e+01 1.70 1.569024145e+01 1.569024145e+01 1.72 1.402771624e+01 1.402771624e+01 1.74 1.248206452e+01 1.248206452e+01 1.76 1.104599047e+01 1.104599047e+01 1.78 9.712628836e+00 9.712628836e+00 1.80 8.475520402e+00 8.475520402e+00 1.82 7.328588827e+00 7.328588827e+00 1.84 6.266118760e+00 6.266118760e+00 1.86 5.282735169e+00 5.282735169e+00 1.88 4.373383828e+00 4.373383828e+00 1.90 3.533312891e+00 3.533312891e+00 1.92 2.758055484e+00 2.758055484e+00 1.94 2.043413292e+00 2.043413292e+00 1.96 1.385441042e+00 1.385441042e+00 1.98 7.804318702e-01 7.804318702e-01 2.00 2.249035070e-01 2.249035070e-01 2.02 -2.844147614e-01 -2.844147614e-01 2.04 -7.505943987e-01 -7.505943987e-01 2.06 -1.176519227e+00 -1.176519227e+00 2.08 -1.564896382e+00 -1.564896382e+00 2.10 -1.918266649e+00 -1.918266649e+00 2.12 -2.239014208e+00 -2.239014208e+00 2.14 -2.529375837e+00 -2.529375837e+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 -4.397173396e+00 -4.397173396e+00 2.46 -4.413831300e+00 -4.413831300e+00 2.48 -4.422348514e+00 -4.422348514e+00 2.50 -4.423404140e+00 -4.423404140e+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 -4.270043786e+00 -4.270043786e+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 -4.096431910e+00 -4.096431910e+00 2.74 -4.046877995e+00 -4.046877995e+00 2.76 -3.995427351e+00 -3.995427351e+00 2.78 -3.942326142e+00 -3.942326142e+00 2.80 -3.887802250e+00 -3.887802250e+00 2.82 -3.832066441e+00 -3.832066441e+00 2.84 -3.775313477e+00 -3.775313477e+00 2.86 -3.717723166e+00 -3.717723166e+00 2.88 -3.659461337e+00 -3.659461337e+00 2.90 -3.600680759e+00 -3.600680759e+00 2.92 -3.541522006e+00 -3.541522006e+00 2.94 -3.482114265e+00 -3.482114265e+00 2.96 -3.422576098e+00 -3.422576098e+00 2.98 -3.363016154e+00 -3.363016154e+00 3.00 -3.303533836e+00 -3.303533836e+00 3.02 -3.244219928e+00 -3.244219928e+00 3.04 -3.185157187e+00 -3.185157187e+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 -1.432416732e+00 -1.432416732e+00 3.84 -1.404258952e+00 -1.404258952e+00 3.86 -1.382115249e+00 -1.382115249e+00 3.88 -1.367225565e+00 -1.367225565e+00 3.90 -1.346574637e+00 -1.346574637e+00 3.92 -1.321332404e+00 -1.321332404e+00 3.94 -1.296617683e+00 -1.296617683e+00 3.96 -1.272415255e+00 -1.272415255e+00 3.98 -1.248710063e+00 -1.248710063e+00 4.00 -1.225487248e+00 -1.225487248e+00 4.02 -1.202732178e+00 -1.202732178e+00 4.04 -1.180430483e+00 -1.180430483e+00 4.06 -1.158568083e+00 -1.158568083e+00 4.08 -1.137131218e+00 -1.137131218e+00 4.10 -1.116106478e+00 -1.116106478e+00 4.12 -1.095480827e+00 -1.095480827e+00 4.14 -1.075241631e+00 -1.075241631e+00 4.16 -1.055376676e+00 -1.055376676e+00 4.18 -1.035874197e+00 -1.035874197e+00 4.20 -1.016722887e+00 -1.016722887e+00 4.22 -9.979119202e-01 -9.979119202e-01 4.24 -9.794309626e-01 -9.794309626e-01 4.26 -9.612701813e-01 -9.612701813e-01 4.28 -9.434202525e-01 -9.434202525e-01 4.30 -9.258723650e-01 -9.258723650e-01 4.32 -9.086182210e-01 -9.086182210e-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 -8.254105565e-01 -8.254105565e-01 4.44 -7.933727015e-01 -7.933727015e-01 4.46 -7.009471725e-01 -7.009471725e-01 4.48 -4.401845765e-01 -4.401845765e-01 4.50 -5.561412925e-22 -5.562119224e-22 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00