# 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 = AlCuNi2 # 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 9.230369785e+01 9.230369785e+01 1.30 8.486963133e+01 8.486963133e+01 1.32 7.801212470e+01 7.801212470e+01 1.34 7.167999069e+01 7.167999069e+01 1.36 6.582885871e+01 6.582885871e+01 1.38 6.042187946e+01 6.042187946e+01 1.40 5.542757600e+01 5.542757600e+01 1.42 5.081704400e+01 5.081704400e+01 1.44 4.656183222e+01 4.656183222e+01 1.46 4.263303869e+01 4.263303869e+01 1.48 3.900193349e+01 3.900193349e+01 1.50 3.564163879e+01 3.564163879e+01 1.52 3.252864123e+01 3.252864123e+01 1.54 2.964315711e+01 2.964315711e+01 1.56 2.696833846e+01 2.696833846e+01 1.58 2.448910731e+01 2.448910731e+01 1.60 2.219146035e+01 2.219146035e+01 1.62 2.006387861e+01 2.006387861e+01 1.64 1.809514791e+01 1.809514791e+01 1.66 1.627428237e+01 1.627428237e+01 1.68 1.459112601e+01 1.459112601e+01 1.70 1.303609340e+01 1.303609340e+01 1.72 1.159999403e+01 1.159999403e+01 1.74 1.027391339e+01 1.027391339e+01 1.76 9.049201809e+00 9.049201809e+00 1.78 7.917651877e+00 7.917651877e+00 1.80 6.871810618e+00 6.871810618e+00 1.82 5.905239986e+00 5.905239986e+00 1.84 5.012552812e+00 5.012552812e+00 1.86 4.189186755e+00 4.189186755e+00 1.88 3.431021362e+00 3.431021362e+00 1.90 2.734001911e+00 2.734001911e+00 1.92 2.093902312e+00 2.093902312e+00 1.94 1.506288374e+00 1.506288374e+00 1.96 9.666660901e-01 9.666660901e-01 1.98 4.707323454e-01 4.707323454e-01 2.00 1.461442183e-02 1.461442183e-02 2.02 -4.049897893e-01 -4.049897893e-01 2.04 -7.907989517e-01 -7.907989517e-01 2.06 -1.145037238e+00 -1.145037238e+00 2.08 -1.469572861e+00 -1.469572861e+00 2.10 -1.766054642e+00 -1.766054642e+00 2.12 -2.036014916e+00 -2.036014916e+00 2.14 -2.280931733e+00 -2.280931733e+00 2.16 -2.502259736e+00 -2.502259736e+00 2.18 -2.701443395e+00 -2.701443395e+00 2.20 -2.879922623e+00 -2.879922623e+00 2.22 -3.039135129e+00 -3.039135129e+00 2.24 -3.180515865e+00 -3.180515865e+00 2.26 -3.305493221e+00 -3.305493221e+00 2.28 -3.415482829e+00 -3.415482829e+00 2.30 -3.511879043e+00 -3.511879043e+00 2.32 -3.596039902e+00 -3.596039902e+00 2.34 -3.669257645e+00 -3.669257645e+00 2.36 -3.732712356e+00 -3.732712356e+00 2.38 -3.787421083e+00 -3.787421083e+00 2.40 -3.834197097e+00 -3.834197097e+00 2.42 -3.873653238e+00 -3.873653238e+00 2.44 -3.906239317e+00 -3.906239317e+00 2.46 -3.932299818e+00 -3.932299818e+00 2.48 -3.952133879e+00 -3.952133879e+00 2.50 -3.966041953e+00 -3.966041953e+00 2.52 -3.974353754e+00 -3.974353754e+00 2.54 -3.977516839e+00 -3.977516839e+00 2.56 -3.976507849e+00 -3.976507849e+00 2.58 -3.971158538e+00 -3.971158538e+00 2.60 -3.961257543e+00 -3.961257543e+00 2.62 -3.946765375e+00 -3.946765375e+00 2.64 -3.927774759e+00 -3.927774759e+00 2.66 -3.904473233e+00 -3.904473233e+00 2.68 -3.877112278e+00 -3.877112278e+00 2.70 -3.845986261e+00 -3.845986261e+00 2.72 -3.811440559e+00 -3.811440559e+00 2.74 -3.773857877e+00 -3.773857877e+00 2.76 -3.733612131e+00 -3.733612131e+00 2.78 -3.691048301e+00 -3.691048301e+00 2.80 -3.646463226e+00 -3.646463226e+00 2.82 -3.600091328e+00 -3.600091328e+00 2.84 -3.552100132e+00 -3.552100132e+00 2.86 -3.502596649e+00 -3.502596649e+00 2.88 -3.451642133e+00 -3.451642133e+00 2.90 -3.399270937e+00 -3.399270937e+00 2.92 -3.345509510e+00 -3.345509510e+00 2.94 -3.290393038e+00 -3.290393038e+00 2.96 -3.233978685e+00 -3.233978685e+00 2.98 -3.176355266e+00 -3.176355266e+00 3.00 -3.117649232e+00 -3.117649232e+00 3.02 -3.058026560e+00 -3.058026560e+00 3.04 -2.997689856e+00 -2.997689856e+00 3.06 -2.936870284e+00 -2.936870284e+00 3.08 -2.875814690e+00 -2.875814690e+00 3.10 -2.814769788e+00 -2.814769788e+00 3.12 -2.753966061e+00 -2.753966061e+00 3.14 -2.693604438e+00 -2.693604438e+00 3.16 -2.633847809e+00 -2.633847809e+00 3.18 -2.574818290e+00 -2.574818290e+00 3.20 -2.516599420e+00 -2.516599420e+00 3.22 -2.459241779e+00 -2.459241779e+00 3.24 -2.402770187e+00 -2.402770187e+00 3.26 -2.347191006e+00 -2.347191006e+00 3.28 -2.292498572e+00 -2.292498572e+00 3.30 -2.238680312e+00 -2.238680312e+00 3.32 -2.185720451e+00 -2.185720451e+00 3.34 -2.133602459e+00 -2.133602459e+00 3.36 -2.082310434e+00 -2.082310434e+00 3.38 -2.031829657e+00 -2.031829657e+00 3.40 -1.982146544e+00 -1.982146544e+00 3.42 -1.933248205e+00 -1.933248205e+00 3.44 -1.885121760e+00 -1.885121760e+00 3.46 -1.837753636e+00 -1.837753636e+00 3.48 -1.791128931e+00 -1.791128931e+00 3.50 -1.745230980e+00 -1.745230980e+00 3.52 -1.700041178e+00 -1.700041178e+00 3.54 -1.655539072e+00 -1.655539072e+00 3.56 -1.611702713e+00 -1.611702713e+00 3.58 -1.568509216e+00 -1.568509216e+00 3.60 -1.525935467e+00 -1.525935467e+00 3.62 -1.483958953e+00 -1.483958953e+00 3.64 -1.442558682e+00 -1.442558682e+00 3.66 -1.401716225e+00 -1.401716225e+00 3.68 -1.361416904e+00 -1.361416904e+00 3.70 -1.321651145e+00 -1.321651145e+00 3.72 -1.282416002e+00 -1.282416002e+00 3.74 -1.243716749e+00 -1.243716749e+00 3.76 -1.205568369e+00 -1.205568369e+00 3.78 -1.167996676e+00 -1.167996676e+00 3.80 -1.131038723e+00 -1.131038723e+00 3.82 -1.094742160e+00 -1.094742160e+00 3.84 -1.059163290e+00 -1.059163290e+00 3.86 -1.024363753e+00 -1.024363753e+00 3.88 -9.904060147e-01 -9.904060147e-01 3.90 -9.573481176e-01 -9.573481176e-01 3.92 -9.252383522e-01 -9.252383522e-01 3.94 -8.941105951e-01 -8.941105951e-01 3.96 -8.639809128e-01 -8.639809128e-01 3.98 -8.348459001e-01 -8.348459001e-01 4.00 -8.066827958e-01 -8.066827958e-01 4.02 -7.794511947e-01 -7.794511947e-01 4.04 -7.530959423e-01 -7.530959423e-01 4.06 -7.275507177e-01 -7.275507177e-01 4.08 -7.027418449e-01 -7.027418449e-01 4.10 -6.785919683e-01 -6.785919683e-01 4.12 -6.550234342e-01 -6.550234342e-01 4.14 -6.319611380e-01 -6.319611380e-01 4.16 -6.093350383e-01 -6.093350383e-01 4.18 -5.870822281e-01 -5.870822281e-01 4.20 -5.651486826e-01 -5.651486826e-01 4.22 -5.434907129e-01 -5.434907129e-01 4.24 -5.220761367e-01 -5.220761367e-01 4.26 -5.008851472e-01 -5.008851472e-01 4.28 -4.799108417e-01 -4.799108417e-01 4.30 -4.591593688e-01 -4.591593688e-01 4.32 -4.386496551e-01 -4.386496551e-01 4.34 -4.184126930e-01 -4.184126930e-01 4.36 -3.984903848e-01 -3.984903848e-01 4.38 -3.789339474e-01 -3.789339474e-01 4.40 -3.598018905e-01 -3.598018905e-01 4.42 -3.411575821e-01 -3.411575821e-01 4.44 -3.230664388e-01 -3.230664388e-01 4.46 -3.055928100e-01 -3.055928100e-01 4.48 -2.887966891e-01 -2.887966891e-01 4.50 -2.727304479e-01 -2.727304479e-01 4.52 -2.574358478e-01 -2.574358478e-01 4.54 -2.429415992e-01 -2.429415992e-01 4.56 -2.292617113e-01 -2.292617113e-01 4.58 -2.163947939e-01 -2.163947939e-01 4.60 -2.043243658e-01 -2.043243658e-01 4.62 -1.930200887e-01 -1.930200887e-01 4.64 -1.824397507e-01 -1.824397507e-01 4.66 -1.725317635e-01 -1.725317635e-01 4.68 -1.632379308e-01 -1.632379308e-01 4.70 -1.544962508e-01 -1.544962508e-01 4.72 -1.462435407e-01 -1.462435407e-01 4.74 -1.384175266e-01 -1.384175266e-01 4.76 -1.309595261e-01 -1.309595261e-01 4.78 -1.238156193e-01 -1.238156193e-01 4.80 -1.169380990e-01 -1.169380990e-01 4.82 -1.102864351e-01 -1.102864351e-01 4.84 -1.038277113e-01 -1.038277113e-01 4.86 -9.753707497e-02 -9.753707497e-02 4.88 -9.139784272e-02 -9.139784272e-02 4.90 -8.540130665e-02 -8.540130665e-02 4.92 -7.954623754e-02 -7.954623754e-02 4.94 -7.383809089e-02 -7.383809089e-02 4.96 -6.828793651e-02 -6.828793651e-02 4.98 -6.291115293e-02 -6.291115293e-02 5.00 -5.772595340e-02 -5.772595340e-02 5.02 -5.275183220e-02 -5.275183220e-02 5.04 -4.800803469e-02 -4.800803469e-02 5.06 -4.351215709e-02 -4.351215709e-02 5.08 -3.927897027e-02 -3.927897027e-02 5.10 -3.531953795e-02 -3.531953795e-02 5.12 -3.164066744e-02 -3.164066744e-02 5.14 -2.824469579e-02 -2.824469579e-02 5.16 -2.512958277e-02 -2.512958277e-02 5.18 -2.228925535e-02 -2.228925535e-02 5.20 -1.971413768e-02 -1.971413768e-02 5.22 -1.739179656e-02 -1.739179656e-02 5.24 -1.530763215e-02 -1.530763215e-02 5.26 -1.344554011e-02 -1.344554011e-02 5.28 -1.178823248e-02 -1.178823248e-02 5.30 -1.031859066e-02 -1.031859066e-02 5.32 -9.019741692e-03 -9.019741692e-03 5.34 -7.875222966e-03 -7.875222966e-03 5.36 -6.869289805e-03 -6.869289805e-03 5.38 -5.987127456e-03 -5.987127456e-03 5.40 -5.214982639e-03 -5.214982639e-03 5.42 -4.540230188e-03 -4.540230188e-03 5.44 -3.951389433e-03 -3.951389433e-03 5.46 -3.438103316e-03 -3.438103316e-03 5.48 -2.991091237e-03 -2.991091237e-03 5.50 -2.602084609e-03 -2.602084609e-03 5.52 -2.263752168e-03 -2.263752168e-03 5.54 -1.969620418e-03 -1.969620418e-03 5.56 -1.713993170e-03 -1.713993170e-03 5.58 -1.491872953e-03 -1.491872953e-03 5.60 -1.298886171e-03 -1.298886171e-03 5.62 -1.131213180e-03 -1.131213180e-03 5.64 -9.855239067e-04 -9.855239067e-04 5.66 -8.589192573e-04 -8.589192573e-04 5.68 -7.488783051e-04 -7.488783051e-04 5.70 -6.532110372e-04 -6.532110372e-04 5.72 -5.700163472e-04 -5.700163472e-04 5.74 -4.976448818e-04 -4.976448818e-04 5.76 -4.346663215e-04 -4.346663215e-04 5.78 -3.798406698e-04 -3.798406698e-04 5.80 -3.320931335e-04 -3.320931335e-04 5.82 -2.904922002e-04 -2.904922002e-04 5.84 -2.542305437e-04 -2.542305437e-04 5.86 -2.226084227e-04 -2.226084227e-04 5.88 -1.950192643e-04 -1.950192643e-04 5.90 -1.709371613e-04 -1.709371613e-04 5.92 -1.499060381e-04 -1.499060381e-04 5.94 -1.315302684e-04 -1.315302684e-04 5.96 -1.154665560e-04 -1.154665560e-04 5.98 -1.014169101e-04 -1.014169101e-04 6.00 -8.912257012e-05 -8.912257012e-05