# 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 = MgNi2Ta # 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 2.512338253e+02 2.512338253e+02 1.30 2.317400838e+02 2.317400838e+02 1.32 2.137470706e+02 2.137470706e+02 1.34 1.971285677e+02 1.971285677e+02 1.36 1.817738356e+02 1.817738356e+02 1.38 1.675857907e+02 1.675857907e+02 1.40 1.544777902e+02 1.544777902e+02 1.42 1.423705606e+02 1.423705606e+02 1.44 1.311897622e+02 1.311897622e+02 1.46 1.208642106e+02 1.208642106e+02 1.48 1.113250040e+02 1.113250040e+02 1.50 1.025058010e+02 1.025058010e+02 1.52 9.434411085e+01 9.434411085e+01 1.54 8.678289731e+01 8.678289731e+01 1.56 7.977157113e+01 7.977157113e+01 1.58 7.326593411e+01 7.326593411e+01 1.60 6.722739006e+01 6.722739006e+01 1.62 6.162198783e+01 6.162198783e+01 1.64 5.641955542e+01 5.641955542e+01 1.66 5.159288876e+01 5.159288876e+01 1.68 4.711858613e+01 4.711858613e+01 1.70 4.297736879e+01 4.297736879e+01 1.72 3.914668382e+01 3.914668382e+01 1.74 3.560474329e+01 3.560474329e+01 1.76 3.233070693e+01 3.233070693e+01 1.78 2.930517066e+01 2.930517066e+01 1.80 2.651030913e+01 2.651030913e+01 1.82 2.392986269e+01 2.392986269e+01 1.84 2.154901764e+01 2.154901764e+01 1.86 1.935413469e+01 1.935413469e+01 1.88 1.733240391e+01 1.733240391e+01 1.90 1.547154015e+01 1.547154015e+01 1.92 1.375959982e+01 1.375959982e+01 1.94 1.218494993e+01 1.218494993e+01 1.96 1.073636344e+01 1.073636344e+01 1.98 9.403190338e+00 9.403190338e+00 2.00 8.175541644e+00 8.175541644e+00 2.02 7.044436228e+00 7.044436228e+00 2.04 6.001883233e+00 6.001883233e+00 2.06 5.040889578e+00 5.040889578e+00 2.08 4.155395488e+00 4.155395488e+00 2.10 3.340154431e+00 3.340154431e+00 2.12 2.590583911e+00 2.590583911e+00 2.14 1.902613243e+00 1.902613243e+00 2.16 1.272547797e+00 1.272547797e+00 2.18 6.969552789e-01 6.969552789e-01 2.20 1.725760070e-01 1.725760070e-01 2.22 -3.037464193e-01 -3.037464193e-01 2.24 -7.351134364e-01 -7.351134364e-01 2.26 -1.124602831e+00 -1.124602831e+00 2.28 -1.475289651e+00 -1.475289651e+00 2.30 -1.790257089e+00 -1.790257089e+00 2.32 -2.072449357e+00 -2.072449357e+00 2.34 -2.325072702e+00 -2.325072702e+00 2.36 -2.551422462e+00 -2.551422462e+00 2.38 -2.754572340e+00 -2.754572340e+00 2.40 -2.937265794e+00 -2.937265794e+00 2.42 -3.101800146e+00 -3.101800146e+00 2.44 -3.249641749e+00 -3.249641749e+00 2.46 -3.381841039e+00 -3.381841039e+00 2.48 -3.499386278e+00 -3.499386278e+00 2.50 -3.603198182e+00 -3.603198182e+00 2.52 -3.694130268e+00 -3.694130268e+00 2.54 -3.772975239e+00 -3.772975239e+00 2.56 -3.840473911e+00 -3.840473911e+00 2.58 -3.897324735e+00 -3.897324735e+00 2.60 -3.944193883e+00 -3.944193883e+00 2.62 -3.981721439e+00 -3.981721439e+00 2.64 -4.010530961e+00 -4.010530961e+00 2.66 -4.031239493e+00 -4.031239493e+00 2.68 -4.044463576e+00 -4.044463576e+00 2.70 -4.050821864e+00 -4.050821864e+00 2.72 -4.050933651e+00 -4.050933651e+00 2.74 -4.045411810e+00 -4.045411810e+00 2.76 -4.034844374e+00 -4.034844374e+00 2.78 -4.019645938e+00 -4.019645938e+00 2.80 -4.000078010e+00 -4.000078010e+00 2.82 -3.976396861e+00 -3.976396861e+00 2.84 -3.948850090e+00 -3.948850090e+00 2.86 -3.917671161e+00 -3.917671161e+00 2.88 -3.883079205e+00 -3.883079205e+00 2.90 -3.845281695e+00 -3.845281695e+00 2.92 -3.804477873e+00 -3.804477873e+00 2.94 -3.760861514e+00 -3.760861514e+00 2.96 -3.714622449e+00 -3.714622449e+00 2.98 -3.665946892e+00 -3.665946892e+00 3.00 -3.615016964e+00 -3.615016964e+00 3.02 -3.562009905e+00 -3.562009905e+00 3.04 -3.507097120e+00 -3.507097120e+00 3.06 -3.450445067e+00 -3.450445067e+00 3.08 -3.392213608e+00 -3.392213608e+00 3.10 -3.332558076e+00 -3.332558076e+00 3.12 -3.271629824e+00 -3.271629824e+00 3.14 -3.209578089e+00 -3.209578089e+00 3.16 -3.146550178e+00 -3.146550178e+00 3.18 -3.082693236e+00 -3.082693236e+00 3.20 -3.018154842e+00 -3.018154842e+00 3.22 -2.953085697e+00 -2.953085697e+00 3.24 -2.887668144e+00 -2.887668144e+00 3.26 -2.822013072e+00 -2.822013072e+00 3.28 -2.756214433e+00 -2.756214433e+00 3.30 -2.690376229e+00 -2.690376229e+00 3.32 -2.624609381e+00 -2.624609381e+00 3.34 -2.558979649e+00 -2.558979649e+00 3.36 -2.493449836e+00 -2.493449836e+00 3.38 -2.428006393e+00 -2.428006393e+00 3.40 -2.362670966e+00 -2.362670966e+00 3.42 -2.297488200e+00 -2.297488200e+00 3.44 -2.232512790e+00 -2.232512790e+00 3.46 -2.167798250e+00 -2.167798250e+00 3.48 -2.103387966e+00 -2.103387966e+00 3.50 -2.039309570e+00 -2.039309570e+00 3.52 -1.975572734e+00 -1.975572734e+00 3.54 -1.912170111e+00 -1.912170111e+00 3.56 -1.849080787e+00 -1.849080787e+00 3.58 -1.786275511e+00 -1.786275511e+00 3.60 -1.723722935e+00 -1.723722935e+00 3.62 -1.661396228e+00 -1.661396228e+00 3.64 -1.599279553e+00 -1.599279553e+00 3.66 -1.537374039e+00 -1.537374039e+00 3.68 -1.475702993e+00 -1.475702993e+00 3.70 -1.414316141e+00 -1.414316141e+00 3.72 -1.353292702e+00 -1.353292702e+00 3.74 -1.292743087e+00 -1.292743087e+00 3.76 -1.232808971e+00 -1.232808971e+00 3.78 -1.173661493e+00 -1.173661493e+00 3.80 -1.115497393e+00 -1.115497393e+00 3.82 -1.058532981e+00 -1.058532981e+00 3.84 -1.002996032e+00 -1.002996032e+00 3.86 -9.491159538e-01 -9.491159538e-01 3.88 -8.971128511e-01 -8.971128511e-01 3.90 -8.471863796e-01 -8.471863796e-01 3.92 -7.995053097e-01 -7.995053097e-01 3.94 -7.541996803e-01 -7.541996803e-01 3.96 -7.113542731e-01 -7.113542731e-01 3.98 -6.710068443e-01 -6.710068443e-01 4.00 -6.331488426e-01 -6.331488426e-01 4.02 -5.977291683e-01 -5.977291683e-01 4.04 -5.646600815e-01 -5.646600815e-01 4.06 -5.338243889e-01 -5.338243889e-01 4.08 -5.050830648e-01 -5.050830648e-01 4.10 -4.782823128e-01 -4.782823128e-01 4.12 -4.532614012e-01 -4.532614012e-01 4.14 -4.298563064e-01 -4.298563064e-01 4.16 -4.079055797e-01 -4.079055797e-01 4.18 -3.872534371e-01 -3.872534371e-01 4.20 -3.677523249e-01 -3.677523249e-01 4.22 -3.492647818e-01 -3.492647818e-01 4.24 -3.316647906e-01 -3.316647906e-01 4.26 -3.148387945e-01 -3.148387945e-01 4.28 -2.986865182e-01 -2.986865182e-01 4.30 -2.831216862e-01 -2.831216862e-01 4.32 -2.680726756e-01 -2.680726756e-01 4.34 -2.534830843e-01 -2.534830843e-01 4.36 -2.393121357e-01 -2.393121357e-01 4.38 -2.255347951e-01 -2.255347951e-01 4.40 -2.121414412e-01 -2.121414412e-01 4.42 -1.991369363e-01 -1.991369363e-01 4.44 -1.865389742e-01 -1.865389742e-01 4.46 -1.743756624e-01 -1.743756624e-01 4.48 -1.626824022e-01 -1.626824022e-01 4.50 -1.514982557e-01 -1.514982557e-01 4.52 -1.408620950e-01 -1.408620950e-01 4.54 -1.308088967e-01 -1.308088967e-01 4.56 -1.213665496e-01 -1.213665496e-01 4.58 -1.125534755e-01 -1.125534755e-01 4.60 -1.043772466e-01 -1.043772466e-01 4.62 -9.683423804e-02 -9.683423804e-02 4.64 -8.991022065e-02 -8.991022065e-02 4.66 -8.358167205e-02 -8.358167205e-02 4.68 -7.781756927e-02 -7.781756927e-02 4.70 -7.258142037e-02 -7.258142037e-02 4.72 -6.783324349e-02 -6.783324349e-02 4.74 -6.353043634e-02 -6.353043634e-02 4.76 -5.963177241e-02 -5.963177241e-02 4.78 -5.609749657e-02 -5.609749657e-02 4.80 -5.288927710e-02 -5.288927710e-02 4.82 -4.997185223e-02 -4.997185223e-02 4.84 -4.731213633e-02 -4.731213633e-02 4.86 -4.488037383e-02 -4.488037383e-02 4.88 -4.264990944e-02 -4.264990944e-02 4.90 -4.059708202e-02 -4.059708202e-02 4.92 -3.870103769e-02 -3.870103769e-02 4.94 -3.694347456e-02 -3.694347456e-02 4.96 -3.530839613e-02 -3.530839613e-02 4.98 -3.378193461e-02 -3.378193461e-02 5.00 -3.235203568e-02 -3.235203568e-02 5.02 -3.100822842e-02 -3.100822842e-02 5.04 -2.974141761e-02 -2.974141761e-02 5.06 -2.854369731e-02 -2.854369731e-02 5.08 -2.740818610e-02 -2.740818610e-02 5.10 -2.632888333e-02 -2.632888333e-02 5.12 -2.530054515e-02 -2.530054515e-02 5.14 -2.431857873e-02 -2.431857873e-02 5.16 -2.337895310e-02 -2.337895310e-02 5.18 -2.247812477e-02 -2.247812477e-02 5.20 -2.161297674e-02 -2.161297674e-02 5.22 -2.078076908e-02 -2.078076908e-02 5.24 -1.997909971e-02 -1.997909971e-02 5.26 -1.920587374e-02 -1.920587374e-02 5.28 -1.845927991e-02 -1.845927991e-02 5.30 -1.773777224e-02 -1.773777224e-02 5.32 -1.704005526e-02 -1.704005526e-02 5.34 -1.636507045e-02 -1.636507045e-02 5.36 -1.571195554e-02 -1.571195554e-02 5.38 -1.508007213e-02 -1.508007213e-02 5.40 -1.446898909e-02 -1.446898909e-02 5.42 -1.387843658e-02 -1.387843658e-02 5.44 -1.330827527e-02 -1.330827527e-02 5.46 -1.275846019e-02 -1.275846019e-02 5.48 -1.222900065e-02 -1.222900065e-02 5.50 -1.171991835e-02 -1.171991835e-02 5.52 -1.123120660e-02 -1.123120660e-02 5.54 -1.076279364e-02 -1.076279364e-02 5.56 -1.031451283e-02 -1.031451283e-02 5.58 -9.886081867e-03 -9.886081867e-03 5.60 -9.477091997e-03 -9.477091997e-03 5.62 -9.087007214e-03 -9.087007214e-03 5.64 -8.715172356e-03 -8.715172356e-03 5.66 -8.360828223e-03 -8.360828223e-03 5.68 -8.023131425e-03 -8.023131425e-03 5.70 -7.701176627e-03 -7.701176627e-03 5.72 -7.394019081e-03 -7.394019081e-03 5.74 -7.100695760e-03 -7.100695760e-03 5.76 -6.820243948e-03 -6.820243948e-03 5.78 -6.551716646e-03 -6.551716646e-03 5.80 -6.294194591e-03 -6.294194591e-03 5.82 -6.046795054e-03 -6.046795054e-03 5.84 -5.808677782e-03 -5.808677782e-03 5.86 -5.579048595e-03 -5.579048595e-03 5.88 -5.357161207e-03 -5.357161207e-03 5.90 -5.142317821e-03 -5.142317821e-03 5.92 -4.933868999e-03 -4.933868999e-03 5.94 -4.731213267e-03 -4.731213267e-03 5.96 -4.533796790e-03 -4.533796790e-03 5.98 -4.341113443e-03 -4.341113443e-03 6.00 -4.152705449e-03 -4.152705449e-03