# 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 = MoPb2Ta # 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 4.716297072e+02 4.716297072e+02 1.30 4.407269821e+02 4.407269821e+02 1.32 4.119758001e+02 4.119758001e+02 1.34 3.852114710e+02 3.852114710e+02 1.36 3.602814761e+02 3.602814761e+02 1.38 3.370450880e+02 3.370450880e+02 1.40 3.153728569e+02 3.153728569e+02 1.42 2.951455250e+02 2.951455250e+02 1.44 2.762529153e+02 2.762529153e+02 1.46 2.585934057e+02 2.585934057e+02 1.48 2.420740972e+02 2.420740972e+02 1.50 2.266112336e+02 2.266112336e+02 1.52 2.121301251e+02 2.121301251e+02 1.54 1.985641361e+02 1.985641361e+02 1.56 1.858528240e+02 1.858528240e+02 1.58 1.739400166e+02 1.739400166e+02 1.60 1.627724957e+02 1.627724957e+02 1.62 1.522995463e+02 1.522995463e+02 1.64 1.424730582e+02 1.424730582e+02 1.66 1.332478780e+02 1.332478780e+02 1.68 1.245821377e+02 1.245821377e+02 1.70 1.164374547e+02 1.164374547e+02 1.72 1.087790207e+02 1.087790207e+02 1.74 1.015755717e+02 1.015755717e+02 1.76 9.479921297e+01 9.479921297e+01 1.78 8.842501371e+01 8.842501371e+01 1.80 8.243035981e+01 8.243035981e+01 1.82 7.679678577e+01 7.679678577e+01 1.84 7.150645500e+01 7.150645500e+01 1.86 6.654106421e+01 6.654106421e+01 1.88 6.188307160e+01 6.188307160e+01 1.90 5.752395939e+01 5.752395939e+01 1.92 5.344569572e+01 5.344569572e+01 1.94 4.962988917e+01 4.962988917e+01 1.96 4.605980316e+01 4.605980316e+01 1.98 4.272035036e+01 4.272035036e+01 2.00 3.959784991e+01 3.959784991e+01 2.02 3.667963194e+01 3.667963194e+01 2.04 3.395361651e+01 3.395361651e+01 2.06 3.140800086e+01 3.140800086e+01 2.08 2.903113435e+01 2.903113435e+01 2.10 2.681156427e+01 2.681156427e+01 2.12 2.473820805e+01 2.473820805e+01 2.14 2.280054678e+01 2.280054678e+01 2.16 2.098878453e+01 2.098878453e+01 2.18 1.929393685e+01 1.929393685e+01 2.20 1.770783692e+01 1.770783692e+01 2.22 1.622308802e+01 1.622308802e+01 2.24 1.483297743e+01 1.483297743e+01 2.26 1.353137659e+01 1.353137659e+01 2.28 1.231264652e+01 1.231264652e+01 2.30 1.117154759e+01 1.117154759e+01 2.32 1.010316862e+01 1.010316862e+01 2.34 9.102885611e+00 9.102885611e+00 2.36 8.166327381e+00 8.166327381e+00 2.38 7.289367117e+00 7.289367117e+00 2.40 6.468125272e+00 6.468125272e+00 2.42 5.698981177e+00 5.698981177e+00 2.44 4.978584316e+00 4.978584316e+00 2.46 4.303864348e+00 4.303864348e+00 2.48 3.672031406e+00 3.672031406e+00 2.50 3.080565569e+00 3.080565569e+00 2.52 2.527272373e+00 2.527272373e+00 2.54 2.010100198e+00 2.010100198e+00 2.56 1.527078187e+00 1.527078187e+00 2.58 1.076414881e+00 1.076414881e+00 2.60 6.564623357e-01 6.564623357e-01 2.62 2.656866326e-01 2.656866326e-01 2.64 -9.736216596e-02 -9.736216596e-02 2.66 -4.339998371e-01 -4.339998371e-01 2.68 -7.454562913e-01 -7.454562913e-01 2.70 -1.032899030e+00 -1.032899030e+00 2.72 -1.297447222e+00 -1.297447222e+00 2.74 -1.540206293e+00 -1.540206293e+00 2.76 -1.762261214e+00 -1.762261214e+00 2.78 -1.964670619e+00 -1.964670619e+00 2.80 -2.148462819e+00 -2.148462819e+00 2.82 -2.314634554e+00 -2.314634554e+00 2.84 -2.464123263e+00 -2.464123263e+00 2.86 -2.597715245e+00 -2.597715245e+00 2.88 -2.716169998e+00 -2.716169998e+00 2.90 -2.820264743e+00 -2.820264743e+00 2.92 -2.910795455e+00 -2.910795455e+00 2.94 -2.988575469e+00 -2.988575469e+00 2.96 -3.054430488e+00 -3.054430488e+00 2.98 -3.109189535e+00 -3.109189535e+00 3.00 -3.153672362e+00 -3.153672362e+00 3.02 -3.188674762e+00 -3.188674762e+00 3.04 -3.214953604e+00 -3.214953604e+00 3.06 -3.233215647e+00 -3.233215647e+00 3.08 -3.244107505e+00 -3.244107505e+00 3.10 -3.248214134e+00 -3.248214134e+00 3.12 -3.246059415e+00 -3.246059415e+00 3.14 -3.238119832e+00 -3.238119832e+00 3.16 -3.224823302e+00 -3.224823302e+00 3.18 -3.206567025e+00 -3.206567025e+00 3.20 -3.183724646e+00 -3.183724646e+00 3.22 -3.156653417e+00 -3.156653417e+00 3.24 -3.125699088e+00 -3.125699088e+00 3.26 -3.091198847e+00 -3.091198847e+00 3.28 -3.053482837e+00 -3.053482837e+00 3.30 -3.012874624e+00 -3.012874624e+00 3.32 -2.969690704e+00 -2.969690704e+00 3.34 -2.924239036e+00 -2.924239036e+00 3.36 -2.876816617e+00 -2.876816617e+00 3.38 -2.827706357e+00 -2.827706357e+00 3.40 -2.777173514e+00 -2.777173514e+00 3.42 -2.725511196e+00 -2.725511196e+00 3.44 -2.672989623e+00 -2.672989623e+00 3.46 -2.619654840e+00 -2.619654840e+00 3.48 -2.565553392e+00 -2.565553392e+00 3.50 -2.510741625e+00 -2.510741625e+00 3.52 -2.455282826e+00 -2.455282826e+00 3.54 -2.399235080e+00 -2.399235080e+00 3.56 -2.342604729e+00 -2.342604729e+00 3.58 -2.285388390e+00 -2.285388390e+00 3.60 -2.227595924e+00 -2.227595924e+00 3.62 -2.169247565e+00 -2.169247565e+00 3.64 -2.110373025e+00 -2.110373025e+00 3.66 -2.051012517e+00 -2.051012517e+00 3.68 -1.991219429e+00 -1.991219429e+00 3.70 -1.931064056e+00 -1.931064056e+00 3.72 -1.870637607e+00 -1.870637607e+00 3.74 -1.810055656e+00 -1.810055656e+00 3.76 -1.749460214e+00 -1.749460214e+00 3.78 -1.689019823e+00 -1.689019823e+00 3.80 -1.628927324e+00 -1.628927324e+00 3.82 -1.569395243e+00 -1.569395243e+00 3.84 -1.510649090e+00 -1.510649090e+00 3.86 -1.452919097e+00 -1.452919097e+00 3.88 -1.396431121e+00 -1.396431121e+00 3.90 -1.341397539e+00 -1.341397539e+00 3.92 -1.288008142e+00 -1.288008142e+00 3.94 -1.236426646e+00 -1.236426646e+00 3.96 -1.186780629e+00 -1.186780629e+00 3.98 -1.139162587e+00 -1.139162587e+00 4.00 -1.093628585e+00 -1.093628585e+00 4.02 -1.050199870e+00 -1.050199870e+00 4.04 -1.008866058e+00 -1.008866058e+00 4.06 -9.695894510e-01 -9.695894510e-01 4.08 -9.323099525e-01 -9.323099525e-01 4.10 -8.969474536e-01 -8.969474536e-01 4.12 -8.634180637e-01 -8.634180637e-01 4.14 -8.316207380e-01 -8.316207380e-01 4.16 -8.014536444e-01 -8.014536444e-01 4.18 -7.728140211e-01 -7.728140211e-01 4.20 -7.456006736e-01 -7.456006736e-01 4.22 -7.197158394e-01 -7.197158394e-01 4.24 -6.950664959e-01 -6.950664959e-01 4.26 -6.715651975e-01 -6.715651975e-01 4.28 -6.491305328e-01 -6.491305328e-01 4.30 -6.276872867e-01 -6.276872867e-01 4.32 -6.071663816e-01 -6.071663816e-01 4.34 -5.875046625e-01 -5.875046625e-01 4.36 -5.686445774e-01 -5.686445774e-01 4.38 -5.505337947e-01 -5.505337947e-01 4.40 -5.331247880e-01 -5.331247880e-01 4.42 -5.163744123e-01 -5.163744123e-01 4.44 -5.002434872e-01 -5.002434872e-01 4.46 -4.846963980e-01 -4.846963980e-01 4.48 -4.697007223e-01 -4.697007223e-01 4.50 -4.552268844e-01 -4.552268844e-01 4.52 -4.412478405e-01 -4.412478405e-01 4.54 -4.277387929e-01 -4.277387929e-01 4.56 -4.146769342e-01 -4.146769342e-01 4.58 -4.020412177e-01 -4.020412177e-01 4.60 -3.898121531e-01 -3.898121531e-01 4.62 -3.779716257e-01 -3.779716257e-01 4.64 -3.665027353e-01 -3.665027353e-01 4.66 -3.553896544e-01 -3.553896544e-01 4.68 -3.446175031e-01 -3.446175031e-01 4.70 -3.341722385e-01 -3.341722385e-01 4.72 -3.240405579e-01 -3.240405579e-01 4.74 -3.142098143e-01 -3.142098143e-01 4.76 -3.046679427e-01 -3.046679427e-01 4.78 -2.954033964e-01 -2.954033964e-01 4.80 -2.864035375e-01 -2.864035375e-01 4.82 -2.776610645e-01 -2.776610645e-01 4.84 -2.691638551e-01 -2.691638551e-01 4.86 -2.609019966e-01 -2.609019966e-01 4.88 -2.528659148e-01 -2.528659148e-01 4.90 -2.450463659e-01 -2.450463659e-01 4.92 -2.374344381e-01 -2.374344381e-01 4.94 -2.300215643e-01 -2.300215643e-01 4.96 -2.227995444e-01 -2.227995444e-01 4.98 -2.157605786e-01 -2.157605786e-01 5.00 -2.088973110e-01 -2.088973110e-01 5.02 -2.022028839e-01 -2.022028839e-01 5.04 -1.956709998e-01 -1.956709998e-01 5.06 -1.892959900e-01 -1.892959900e-01 5.08 -1.830728849e-01 -1.830728849e-01 5.10 -1.769974811e-01 -1.769974811e-01 5.12 -1.710664011e-01 -1.710664011e-01 5.14 -1.652771366e-01 -1.652771366e-01 5.16 -1.596280682e-01 -1.596280682e-01 5.18 -1.541184526e-01 -1.541184526e-01 5.20 -1.487483730e-01 -1.487483730e-01 5.22 -1.435186457e-01 -1.435186457e-01 5.24 -1.384306825e-01 -1.384306825e-01 5.26 -1.334862290e-01 -1.334862290e-01 5.28 -1.286867770e-01 -1.286867770e-01 5.30 -1.240344572e-01 -1.240344572e-01 5.32 -1.195312411e-01 -1.195312411e-01 5.34 -1.151785560e-01 -1.151785560e-01 5.36 -1.109770817e-01 -1.109770817e-01 5.38 -1.069265909e-01 -1.069265909e-01 5.40 -1.030258448e-01 -1.030258448e-01 5.42 -9.927254772e-02 -9.927254772e-02 5.44 -9.566336007e-02 -9.566336007e-02 5.46 -9.219396266e-02 -9.219396266e-02 5.48 -8.885916300e-02 -8.885916300e-02 5.50 -8.565303088e-02 -8.565303088e-02 5.52 -8.256905072e-02 -8.256905072e-02 5.54 -7.960027901e-02 -7.960027901e-02 5.56 -7.673949720e-02 -7.673949720e-02 5.58 -7.397935289e-02 -7.397935289e-02 5.60 -7.131248494e-02 -7.131248494e-02 5.62 -6.873163038e-02 -6.873163038e-02 5.64 -6.622971307e-02 -6.622971307e-02 5.66 -6.379991569e-02 -6.379991569e-02 5.68 -6.143573743e-02 -6.143573743e-02 5.70 -5.913104039e-02 -5.913104039e-02 5.72 -5.688008778e-02 -5.688008778e-02 5.74 -5.467757685e-02 -5.467757685e-02 5.76 -5.251866929e-02 -5.251866929e-02 5.78 -5.039902083e-02 -5.039902083e-02 5.80 -4.831481164e-02 -4.831481164e-02 5.82 -4.626277807e-02 -4.626277807e-02 5.84 -4.424024558e-02 -4.424024558e-02 5.86 -4.224516185e-02 -4.224516185e-02 5.88 -4.027612840e-02 -4.027612840e-02 5.90 -3.833242801e-02 -3.833242801e-02 5.92 -3.641404511e-02 -3.641404511e-02 5.94 -3.452167520e-02 -3.452167520e-02 5.96 -3.265671991e-02 -3.265671991e-02 5.98 -3.082126320e-02 -3.082126320e-02 6.00 -2.901802696e-02 -2.901802696e-02