# 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 = AlNi2Ti # 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 1.269250051e+02 1.269250051e+02 1.30 1.170807707e+02 1.170807707e+02 1.32 1.079849811e+02 1.079849811e+02 1.34 9.957272335e+01 9.957272335e+01 1.36 9.178710344e+01 9.178710344e+01 1.38 8.457982293e+01 8.457982293e+01 1.40 7.790899070e+01 7.790899070e+01 1.42 7.173622670e+01 7.173622670e+01 1.44 6.602465359e+01 6.602465359e+01 1.46 6.073824617e+01 6.073824617e+01 1.48 5.584240216e+01 5.584240216e+01 1.50 5.130513731e+01 5.130513731e+01 1.52 4.709797785e+01 4.709797785e+01 1.54 4.319594844e+01 4.319594844e+01 1.56 3.957681762e+01 3.957681762e+01 1.58 3.622019205e+01 3.622019205e+01 1.60 3.310695057e+01 3.310695057e+01 1.62 3.021913983e+01 3.021913983e+01 1.64 2.754006831e+01 2.754006831e+01 1.66 2.505431394e+01 2.505431394e+01 1.68 2.274762119e+01 2.274762119e+01 1.70 2.060647673e+01 2.060647673e+01 1.72 1.861964584e+01 1.861964584e+01 1.74 1.677623889e+01 1.677623889e+01 1.76 1.506543861e+01 1.506543861e+01 1.78 1.347750559e+01 1.347750559e+01 1.80 1.200381820e+01 1.200381820e+01 1.82 1.063686088e+01 1.063686088e+01 1.84 9.370097172e+00 9.370097172e+00 1.86 8.197706271e+00 8.197706271e+00 1.88 7.114234906e+00 7.114234906e+00 1.90 6.114269295e+00 6.114269295e+00 1.92 5.192227169e+00 5.192227169e+00 1.94 4.342330448e+00 4.342330448e+00 1.96 3.558756108e+00 3.558756108e+00 1.98 2.835893945e+00 2.835893945e+00 2.00 2.168595746e+00 2.168595746e+00 2.02 1.552322776e+00 1.552322776e+00 2.04 9.831669159e-01 9.831669159e-01 2.06 4.577793646e-01 4.577793646e-01 2.08 -2.673926814e-02 -2.673926814e-02 2.10 -4.729465623e-01 -4.729465623e-01 2.12 -8.831473606e-01 -8.831473606e-01 2.14 -1.259465074e+00 -1.259465074e+00 2.16 -1.603898271e+00 -1.603898271e+00 2.18 -1.918364094e+00 -1.918364094e+00 2.20 -2.204728902e+00 -2.204728902e+00 2.22 -2.464827339e+00 -2.464827339e+00 2.24 -2.700469550e+00 -2.700469550e+00 2.26 -2.913436571e+00 -2.913436571e+00 2.28 -3.105466288e+00 -3.105466288e+00 2.30 -3.278234308e+00 -3.278234308e+00 2.32 -3.433333792e+00 -3.433333792e+00 2.34 -3.572252144e+00 -3.572252144e+00 2.36 -3.696344554e+00 -3.696344554e+00 2.38 -3.806808309e+00 -3.806808309e+00 2.40 -3.904669393e+00 -3.904669393e+00 2.42 -3.990791192e+00 -3.990791192e+00 2.44 -4.065905770e+00 -4.065905770e+00 2.46 -4.130658608e+00 -4.130658608e+00 2.48 -4.185653685e+00 -4.185653685e+00 2.50 -4.231537347e+00 -4.231537347e+00 2.52 -4.268895944e+00 -4.268895944e+00 2.54 -4.298295216e+00 -4.298295216e+00 2.56 -4.320333360e+00 -4.320333360e+00 2.58 -4.335627785e+00 -4.335627785e+00 2.60 -4.344806721e+00 -4.344806721e+00 2.62 -4.348491374e+00 -4.348491374e+00 2.64 -4.347275159e+00 -4.347275159e+00 2.66 -4.341666640e+00 -4.341666640e+00 2.68 -4.332240208e+00 -4.332240208e+00 2.70 -4.319925765e+00 -4.319925765e+00 2.72 -4.304671906e+00 -4.304671906e+00 2.74 -4.286255240e+00 -4.286255240e+00 2.76 -4.264541085e+00 -4.264541085e+00 2.78 -4.239473021e+00 -4.239473021e+00 2.80 -4.211049718e+00 -4.211049718e+00 2.82 -4.179303539e+00 -4.179303539e+00 2.84 -4.144286095e+00 -4.144286095e+00 2.86 -4.106070753e+00 -4.106070753e+00 2.88 -4.064745244e+00 -4.064745244e+00 2.90 -4.020404446e+00 -4.020404446e+00 2.92 -3.973155692e+00 -3.973155692e+00 2.94 -3.923125068e+00 -3.923125068e+00 2.96 -3.870463897e+00 -3.870463897e+00 2.98 -3.815354968e+00 -3.815354968e+00 3.00 -3.758017458e+00 -3.758017458e+00 3.02 -3.698708710e+00 -3.698708710e+00 3.04 -3.637720731e+00 -3.637720731e+00 3.06 -3.575370491e+00 -3.575370491e+00 3.08 -3.511984185e+00 -3.511984185e+00 3.10 -3.447879138e+00 -3.447879138e+00 3.12 -3.383346574e+00 -3.383346574e+00 3.14 -3.318639232e+00 -3.318639232e+00 3.16 -3.253964921e+00 -3.253964921e+00 3.18 -3.189486775e+00 -3.189486775e+00 3.20 -3.125327861e+00 -3.125327861e+00 3.22 -3.061578309e+00 -3.061578309e+00 3.24 -2.998302965e+00 -2.998302965e+00 3.26 -2.935548261e+00 -2.935548261e+00 3.28 -2.873347652e+00 -2.873347652e+00 3.30 -2.811725543e+00 -2.811725543e+00 3.32 -2.750699890e+00 -2.750699890e+00 3.34 -2.690283867e+00 -2.690283867e+00 3.36 -2.630486938e+00 -2.630486938e+00 3.38 -2.571315671e+00 -2.571315671e+00 3.40 -2.512774514e+00 -2.512774514e+00 3.42 -2.454866786e+00 -2.454866786e+00 3.44 -2.397595705e+00 -2.397595705e+00 3.46 -2.340965759e+00 -2.340965759e+00 3.48 -2.284984030e+00 -2.284984030e+00 3.50 -2.229661315e+00 -2.229661315e+00 3.52 -2.175012739e+00 -2.175012739e+00 3.54 -2.121057560e+00 -2.121057560e+00 3.56 -2.067818020e+00 -2.067818020e+00 3.58 -2.015317338e+00 -2.015317338e+00 3.60 -1.963577235e+00 -1.963577235e+00 3.62 -1.912615539e+00 -1.912615539e+00 3.64 -1.862444459e+00 -1.862444459e+00 3.66 -1.813069913e+00 -1.813069913e+00 3.68 -1.764492024e+00 -1.764492024e+00 3.70 -1.716706614e+00 -1.716706614e+00 3.72 -1.669707383e+00 -1.669707383e+00 3.74 -1.623488377e+00 -1.623488377e+00 3.76 -1.578046427e+00 -1.578046427e+00 3.78 -1.533383236e+00 -1.533383236e+00 3.80 -1.489506897e+00 -1.489506897e+00 3.82 -1.446432592e+00 -1.446432592e+00 3.84 -1.404182311e+00 -1.404182311e+00 3.86 -1.362783499e+00 -1.362783499e+00 3.88 -1.322266665e+00 -1.322266665e+00 3.90 -1.282662186e+00 -1.282662186e+00 3.92 -1.243996674e+00 -1.243996674e+00 3.94 -1.206289579e+00 -1.206289579e+00 3.96 -1.169550112e+00 -1.169550112e+00 3.98 -1.133775481e+00 -1.133775481e+00 4.00 -1.098950174e+00 -1.098950174e+00 4.02 -1.065046467e+00 -1.065046467e+00 4.04 -1.032025917e+00 -1.032025917e+00 4.06 -9.998415477e-01 -9.998415477e-01 4.08 -9.684403868e-01 -9.684403868e-01 4.10 -9.377660410e-01 -9.377660410e-01 4.12 -9.077615300e-01 -9.077615300e-01 4.14 -8.783711716e-01 -8.783711716e-01 4.16 -8.495430046e-01 -8.495430046e-01 4.18 -8.212305461e-01 -8.212305461e-01 4.20 -7.933943736e-01 -7.933943736e-01 4.22 -7.660034283e-01 -7.660034283e-01 4.24 -7.390360041e-01 -7.390360041e-01 4.26 -7.124803752e-01 -7.124803752e-01 4.28 -6.863350146e-01 -6.863350146e-01 4.30 -6.606083789e-01 -6.606083789e-01 4.32 -6.353182659e-01 -6.353182659e-01 4.34 -6.104907931e-01 -6.104907931e-01 4.36 -5.861590723e-01 -5.861590723e-01 4.38 -5.623616694e-01 -5.623616694e-01 4.40 -5.391409182e-01 -5.391409182e-01 4.42 -5.165411306e-01 -5.165411306e-01 4.44 -4.946067109e-01 -4.946067109e-01 4.46 -4.733801681e-01 -4.733801681e-01 4.48 -4.529000404e-01 -4.529000404e-01 4.50 -4.331987907e-01 -4.331987907e-01 4.52 -4.143007972e-01 -4.143007972e-01 4.54 -3.962206119e-01 -3.962206119e-01 4.56 -3.789616791e-01 -3.789616791e-01 4.58 -3.625156773e-01 -3.625156773e-01 4.60 -3.468625777e-01 -3.468625777e-01 4.62 -3.319714216e-01 -3.319714216e-01 4.64 -3.178017277e-01 -3.178017277e-01 4.66 -3.043053715e-01 -3.043053715e-01 4.68 -2.914287510e-01 -2.914287510e-01 4.70 -2.791150496e-01 -2.791150496e-01 4.72 -2.673064410e-01 -2.673064410e-01 4.74 -2.559461294e-01 -2.559461294e-01 4.76 -2.449801522e-01 -2.449801522e-01 4.78 -2.343586664e-01 -2.343586664e-01 4.80 -2.240377252e-01 -2.240377252e-01 4.82 -2.139803817e-01 -2.139803817e-01 4.84 -2.041568233e-01 -2.041568233e-01 4.86 -1.945451622e-01 -1.945451622e-01 4.88 -1.851316624e-01 -1.851316624e-01 4.90 -1.759107157e-01 -1.759107157e-01 4.92 -1.668844957e-01 -1.668844957e-01 4.94 -1.580622757e-01 -1.580622757e-01 4.96 -1.494594104e-01 -1.494594104e-01 4.98 -1.410960054e-01 -1.410960054e-01 5.00 -1.329953424e-01 -1.329953424e-01 5.02 -1.251821460e-01 -1.251821460e-01 5.04 -1.176808088e-01 -1.176808088e-01 5.06 -1.105137081e-01 -1.105137081e-01 5.08 -1.036997324e-01 -1.036997324e-01 5.10 -9.725296886e-02 -9.725296886e-02 5.12 -9.118233668e-02 -9.118233668e-02 5.14 -8.549112458e-02 -8.549112458e-02 5.16 -8.017691794e-02 -8.017691794e-02 5.18 -7.523200253e-02 -7.523200253e-02 5.20 -7.064402419e-02 -7.064402419e-02 5.22 -6.639681134e-02 -6.639681134e-02 5.24 -6.247126974e-02 -6.247126974e-02 5.26 -5.884627213e-02 -5.884627213e-02 5.28 -5.549948340e-02 -5.549948340e-02 5.30 -5.240808269e-02 -5.240808269e-02 5.32 -4.954936204e-02 -4.954936204e-02 5.34 -4.690119685e-02 -4.690119685e-02 5.36 -4.444239468e-02 -4.444239468e-02 5.38 -4.215293610e-02 -4.215293610e-02 5.40 -4.001412513e-02 -4.001412513e-02 5.42 -3.800866807e-02 -3.800866807e-02 5.44 -3.612069871e-02 -3.612069871e-02 5.46 -3.433576657e-02 -3.433576657e-02 5.48 -3.264080189e-02 -3.264080189e-02 5.50 -3.102406919e-02 -3.102406919e-02 5.52 -2.947511811e-02 -2.947511811e-02 5.54 -2.798473810e-02 -2.798473810e-02 5.56 -2.654492109e-02 -2.654492109e-02 5.58 -2.514883393e-02 -2.514883393e-02 5.60 -2.379079972e-02 -2.379079972e-02 5.62 -2.246628690e-02 -2.246628690e-02 5.64 -2.117190057e-02 -2.117190057e-02 5.66 -1.990537035e-02 -1.990537035e-02 5.68 -1.866552743e-02 -1.866552743e-02 5.70 -1.745226300e-02 -1.745226300e-02 5.72 -1.626646045e-02 -1.626646045e-02 5.74 -1.510989556e-02 -1.510989556e-02 5.76 -1.398510131e-02 -1.398510131e-02 5.78 -1.289512790e-02 -1.289512790e-02 5.80 -1.184335400e-02 -1.184335400e-02 5.82 -1.083352333e-02 -1.083352333e-02 5.84 -9.869315518e-03 -9.869315518e-03 5.86 -8.954116363e-03 -8.954116363e-03 5.88 -8.090821026e-03 -8.090821026e-03 5.90 -7.281675091e-03 -7.281675091e-03 5.92 -6.528163589e-03 -6.528163589e-03 5.94 -5.830952947e-03 -5.830952947e-03 5.96 -5.189885441e-03 -5.189885441e-03 5.98 -4.604020834e-03 -4.604020834e-03 6.00 -4.071716202e-03 -4.071716202e-03