# 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 = AgAlW2 # 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 3.154332597e+02 3.154332597e+02 1.30 2.919422104e+02 2.919422104e+02 1.32 2.702403055e+02 2.702403055e+02 1.34 2.501736670e+02 2.501736670e+02 1.36 2.316017761e+02 2.316017761e+02 1.38 2.143983273e+02 2.143983273e+02 1.40 1.984512302e+02 1.984512302e+02 1.42 1.836609378e+02 1.836609378e+02 1.44 1.699377429e+02 1.699377429e+02 1.46 1.571993835e+02 1.571993835e+02 1.48 1.453700533e+02 1.453700533e+02 1.50 1.343807378e+02 1.343807378e+02 1.52 1.241696976e+02 1.241696976e+02 1.54 1.146821066e+02 1.146821066e+02 1.56 1.058689043e+02 1.058689043e+02 1.58 9.768543785e+01 9.768543785e+01 1.60 9.009024683e+01 9.009024683e+01 1.62 8.304405240e+01 8.304405240e+01 1.64 7.650898882e+01 7.650898882e+01 1.66 7.044819487e+01 7.044819487e+01 1.68 6.482588537e+01 6.482588537e+01 1.70 5.960785131e+01 5.960785131e+01 1.72 5.476210105e+01 5.476210105e+01 1.74 5.025931793e+01 5.025931793e+01 1.76 4.607302035e+01 4.607302035e+01 1.78 4.217951152e+01 4.217951152e+01 1.80 3.855828655e+01 3.855828655e+01 1.82 3.519159241e+01 3.519159241e+01 1.84 3.206276714e+01 3.206276714e+01 1.86 2.915682885e+01 2.915682885e+01 1.88 2.646018152e+01 2.646018152e+01 1.90 2.396209963e+01 2.396209963e+01 1.92 2.165182643e+01 2.165182643e+01 1.94 1.951701350e+01 1.951701350e+01 1.96 1.754556657e+01 1.754556657e+01 1.98 1.572568084e+01 1.572568084e+01 2.00 1.404594505e+01 1.404594505e+01 2.02 1.249547809e+01 1.249547809e+01 2.04 1.106402692e+01 1.106402692e+01 2.06 9.741981716e+00 9.741981716e+00 2.08 8.520320452e+00 8.520320452e+00 2.10 7.390539567e+00 7.390539567e+00 2.12 6.344629996e+00 6.344629996e+00 2.14 5.375122062e+00 5.375122062e+00 2.16 4.475179945e+00 4.475179945e+00 2.18 3.638701126e+00 3.638701126e+00 2.20 2.860376362e+00 2.860376362e+00 2.22 2.135684597e+00 2.135684597e+00 2.24 1.460822602e+00 1.460822602e+00 2.26 8.325891535e-01 8.325891535e-01 2.28 2.482518574e-01 2.482518574e-01 2.30 -2.945784302e-01 -2.945784302e-01 2.32 -7.980505766e-01 -7.980505766e-01 2.34 -1.264148550e+00 -1.264148550e+00 2.36 -1.694741878e+00 -1.694741878e+00 2.38 -2.091616837e+00 -2.091616837e+00 2.40 -2.456494601e+00 -2.456494601e+00 2.42 -2.790917877e+00 -2.790917877e+00 2.44 -3.096496359e+00 -3.096496359e+00 2.46 -3.374963946e+00 -3.374963946e+00 2.48 -3.627983318e+00 -3.627983318e+00 2.50 -3.857153030e+00 -3.857153030e+00 2.52 -4.064013763e+00 -4.064013763e+00 2.54 -4.250054784e+00 -4.250054784e+00 2.56 -4.416719439e+00 -4.416719439e+00 2.58 -4.565228662e+00 -4.565228662e+00 2.60 -4.696274099e+00 -4.696274099e+00 2.62 -4.810514146e+00 -4.810514146e+00 2.64 -4.908647803e+00 -4.908647803e+00 2.66 -4.991376125e+00 -4.991376125e+00 2.68 -5.059367646e+00 -5.059367646e+00 2.70 -5.113236086e+00 -5.113236086e+00 2.72 -5.153534417e+00 -5.153534417e+00 2.74 -5.180763395e+00 -5.180763395e+00 2.76 -5.195388853e+00 -5.195388853e+00 2.78 -5.197861699e+00 -5.197861699e+00 2.80 -5.188636679e+00 -5.188636679e+00 2.82 -5.168188592e+00 -5.168188592e+00 2.84 -5.137026593e+00 -5.137026593e+00 2.86 -5.095707696e+00 -5.095707696e+00 2.88 -5.044850111e+00 -5.044850111e+00 2.90 -4.985145945e+00 -4.985145945e+00 2.92 -4.917371574e+00 -4.917371574e+00 2.94 -4.842393083e+00 -4.842393083e+00 2.96 -4.761455033e+00 -4.761455033e+00 2.98 -4.676164015e+00 -4.676164015e+00 3.00 -4.587315154e+00 -4.587315154e+00 3.02 -4.495718716e+00 -4.495718716e+00 3.04 -4.402196952e+00 -4.402196952e+00 3.06 -4.307535505e+00 -4.307535505e+00 3.08 -4.212438012e+00 -4.212438012e+00 3.10 -4.117489502e+00 -4.117489502e+00 3.12 -4.023145885e+00 -4.023145885e+00 3.14 -3.929727197e+00 -3.929727197e+00 3.16 -3.837502559e+00 -3.837502559e+00 3.18 -3.746407666e+00 -3.746407666e+00 3.20 -3.656193778e+00 -3.656193778e+00 3.22 -3.566536816e+00 -3.566536816e+00 3.24 -3.477066244e+00 -3.477066244e+00 3.26 -3.387394131e+00 -3.387394131e+00 3.28 -3.297144253e+00 -3.297144253e+00 3.30 -3.205992526e+00 -3.205992526e+00 3.32 -3.113684294e+00 -3.113684294e+00 3.34 -3.020043748e+00 -3.020043748e+00 3.36 -2.924991245e+00 -2.924991245e+00 3.38 -2.828556639e+00 -2.828556639e+00 3.40 -2.730887278e+00 -2.730887278e+00 3.42 -2.632249389e+00 -2.632249389e+00 3.44 -2.533021781e+00 -2.533021781e+00 3.46 -2.433681432e+00 -2.433681432e+00 3.48 -2.334781355e+00 -2.334781355e+00 3.50 -2.236922197e+00 -2.236922197e+00 3.52 -2.140719984e+00 -2.140719984e+00 3.54 -2.046773056e+00 -2.046773056e+00 3.56 -1.955631401e+00 -1.955631401e+00 3.58 -1.867771189e+00 -1.867771189e+00 3.60 -1.783576543e+00 -1.783576543e+00 3.62 -1.703329441e+00 -1.703329441e+00 3.64 -1.627207628e+00 -1.627207628e+00 3.66 -1.555289467e+00 -1.555289467e+00 3.68 -1.487564111e+00 -1.487564111e+00 3.70 -1.423945110e+00 -1.423945110e+00 3.72 -1.364285671e+00 -1.364285671e+00 3.74 -1.308394025e+00 -1.308394025e+00 3.76 -1.256047770e+00 -1.256047770e+00 3.78 -1.207006454e+00 -1.207006454e+00 3.80 -1.161022023e+00 -1.161022023e+00 3.82 -1.117847048e+00 -1.117847048e+00 3.84 -1.077240852e+00 -1.077240852e+00 3.86 -1.038973778e+00 -1.038973778e+00 3.88 -1.002829896e+00 -1.002829896e+00 3.90 -9.686084701e-01 -9.686084701e-01 3.92 -9.361244800e-01 -9.361244800e-01 3.94 -9.052084798e-01 -9.052084798e-01 3.96 -8.757059696e-01 -8.757059696e-01 3.98 -8.474765385e-01 -8.474765385e-01 4.00 -8.203928664e-01 -8.203928664e-01 4.02 -7.943397232e-01 -7.943397232e-01 4.04 -7.692130496e-01 -7.692130496e-01 4.06 -7.449191827e-01 -7.449191827e-01 4.08 -7.213742717e-01 -7.213742717e-01 4.10 -6.985038956e-01 -6.985038956e-01 4.12 -6.762429732e-01 -6.762429732e-01 4.14 -6.545357319e-01 -6.545357319e-01 4.16 -6.333359892e-01 -6.333359892e-01 4.18 -6.126074441e-01 -6.126074441e-01 4.20 -5.923239697e-01 -5.923239697e-01 4.22 -5.724697614e-01 -5.724697614e-01 4.24 -5.530391961e-01 -5.530391961e-01 4.26 -5.340362661e-01 -5.340362661e-01 4.28 -5.154734798e-01 -5.154734798e-01 4.30 -4.973701859e-01 -4.973701859e-01 4.32 -4.797503648e-01 -4.797503648e-01 4.34 -4.626400081e-01 -4.626400081e-01 4.36 -4.460643143e-01 -4.460643143e-01 4.38 -4.300449615e-01 -4.300449615e-01 4.40 -4.145977277e-01 -4.145977277e-01 4.42 -3.997306976e-01 -3.997306976e-01 4.44 -3.854431779e-01 -3.854431779e-01 4.46 -3.717253613e-01 -3.717253613e-01 4.48 -3.585584740e-01 -3.585584740e-01 4.50 -3.459160701e-01 -3.459160701e-01 4.52 -3.337652947e-01 -3.337652947e-01 4.54 -3.220680622e-01 -3.220680622e-01 4.56 -3.107825700e-01 -3.107825700e-01 4.58 -2.998647250e-01 -2.998647250e-01 4.60 -2.892694072e-01 -2.892694072e-01 4.62 -2.789514248e-01 -2.789514248e-01 4.64 -2.688664708e-01 -2.688664708e-01 4.66 -2.589723609e-01 -2.589723609e-01 4.68 -2.492291316e-01 -2.492291316e-01 4.70 -2.395996536e-01 -2.395996536e-01 4.72 -2.300502399e-01 -2.300502399e-01 4.74 -2.205512536e-01 -2.205512536e-01 4.76 -2.110777434e-01 -2.110777434e-01 4.78 -2.016101136e-01 -2.016101136e-01 4.80 -1.921348118e-01 -1.921348118e-01 4.82 -1.826450352e-01 -1.826450352e-01 4.84 -1.731413071e-01 -1.731413071e-01 4.86 -1.636319823e-01 -1.636319823e-01 4.88 -1.541334958e-01 -1.541334958e-01 4.90 -1.446703133e-01 -1.446703133e-01 4.92 -1.352744982e-01 -1.352744982e-01 4.94 -1.259848484e-01 -1.259848484e-01 4.96 -1.168455881e-01 -1.168455881e-01 4.98 -1.079046528e-01 -1.079046528e-01 5.00 -9.921165530e-02 -9.921165530e-02 5.02 -9.081566805e-02 -9.081566805e-02 5.04 -8.276298877e-02 -8.276298877e-02 5.06 -7.509506838e-02 -7.509506838e-02 5.08 -6.784676516e-02 -6.784676516e-02 5.10 -6.104505359e-02 -6.104505359e-02 5.12 -5.470826323e-02 -5.470826323e-02 5.14 -4.884586389e-02 -4.884586389e-02 5.16 -4.345875760e-02 -4.345875760e-02 5.18 -3.853999352e-02 -3.853999352e-02 5.20 -3.407579528e-02 -3.407579528e-02 5.22 -3.004677963e-02 -3.004677963e-02 5.24 -2.642925030e-02 -2.642925030e-02 5.26 -2.319647395e-02 -2.319647395e-02 5.28 -2.031985949e-02 -2.031985949e-02 5.30 -1.776997733e-02 -1.776997733e-02 5.32 -1.551708462e-02 -1.551708462e-02 5.34 -1.353265962e-02 -1.353265962e-02 5.36 -1.178953706e-02 -1.178953706e-02 5.38 -1.026203323e-02 -1.026203323e-02 5.40 -8.926222179e-03 -8.926222179e-03 5.42 -7.760086727e-03 -7.760086727e-03 5.44 -6.743572012e-03 -6.743572012e-03 5.46 -5.858566497e-03 -5.858566497e-03 5.48 -5.088831390e-03 -5.088831390e-03 5.50 -4.419895621e-03 -4.419895621e-03 5.52 -3.838929875e-03 -3.838929875e-03 5.54 -3.334609979e-03 -3.334609979e-03 5.56 -2.896977248e-03 -2.896977248e-03 5.58 -2.517301161e-03 -2.517301161e-03 5.60 -2.187948013e-03 -2.187948013e-03 5.62 -1.902257839e-03 -1.902257839e-03 5.64 -1.654430899e-03 -1.654430899e-03 5.66 -1.439424260e-03 -1.439424260e-03 5.68 -1.252858523e-03 -1.252858523e-03 5.70 -1.090934368e-03 -1.090934368e-03 5.72 -9.503583775e-04 -9.503583775e-04 5.74 -8.282774631e-04 -8.282774631e-04 5.76 -7.222211604e-04 -7.222211604e-04 5.78 -6.300510343e-04 -6.300510343e-04 5.80 -5.499164591e-04 -5.499164591e-04 5.82 -4.802160681e-04 -4.802160681e-04 5.84 -4.195642181e-04 -4.195642181e-04 5.86 -3.667618677e-04 -3.667618677e-04 5.88 -3.207713248e-04 -3.207713248e-04 5.90 -2.806943763e-04 -2.806943763e-04 5.92 -2.457533623e-04 -2.457533623e-04 5.94 -2.152748135e-04 -2.152748135e-04 5.96 -1.886753102e-04 -1.886753102e-04 5.98 -1.654492688e-04 -1.654492688e-04 6.00 -1.451583938e-04 -1.451583938e-04