# 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 = Ag2AuNi # 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 2.459863644e+02 2.459863644e+02 1.30 2.274415206e+02 2.274415206e+02 1.32 2.102996462e+02 2.102996462e+02 1.34 1.944471782e+02 1.944471782e+02 1.36 1.797803829e+02 1.797803829e+02 1.38 1.662048775e+02 1.662048775e+02 1.40 1.536346109e+02 1.536346109e+02 1.42 1.419906467e+02 1.419906467e+02 1.44 1.312002801e+02 1.312002801e+02 1.46 1.211966156e+02 1.211966156e+02 1.48 1.119184379e+02 1.119184379e+02 1.50 1.033100370e+02 1.033100370e+02 1.52 9.532073669e+01 9.532073669e+01 1.54 8.790418121e+01 8.790418121e+01 1.56 8.101759417e+01 8.101759417e+01 1.58 7.462120666e+01 7.462120666e+01 1.60 6.867798247e+01 6.867798247e+01 1.62 6.315360992e+01 6.315360992e+01 1.64 5.801825787e+01 5.801825787e+01 1.66 5.325469563e+01 5.325469563e+01 1.68 4.883847337e+01 4.883847337e+01 1.70 4.474668365e+01 4.474668365e+01 1.72 4.095613143e+01 4.095613143e+01 1.74 3.744538513e+01 3.744538513e+01 1.76 3.419461747e+01 3.419461747e+01 1.78 3.118528349e+01 3.118528349e+01 1.80 2.839993359e+01 2.839993359e+01 1.82 2.582221000e+01 2.582221000e+01 1.84 2.343693090e+01 2.343693090e+01 1.86 2.123012040e+01 2.123012040e+01 1.88 1.918892250e+01 1.918892250e+01 1.90 1.730143742e+01 1.730143742e+01 1.92 1.555655747e+01 1.555655747e+01 1.94 1.394386267e+01 1.394386267e+01 1.96 1.245359407e+01 1.245359407e+01 1.98 1.107667908e+01 1.107667908e+01 2.00 9.804758718e+00 9.804758718e+00 2.02 8.630178454e+00 8.630178454e+00 2.04 7.545935899e+00 7.545935899e+00 2.06 6.545604351e+00 6.545604351e+00 2.08 5.623255134e+00 5.623255134e+00 2.10 4.773393300e+00 4.773393300e+00 2.12 3.990910543e+00 3.990910543e+00 2.14 3.271052371e+00 3.271052371e+00 2.16 2.609394393e+00 2.609394393e+00 2.18 2.001823496e+00 2.001823496e+00 2.20 1.444521013e+00 1.444521013e+00 2.22 9.339451969e-01 9.339451969e-01 2.24 4.668105580e-01 4.668105580e-01 2.26 4.006301132e-02 4.006301132e-02 2.28 -3.491476739e-01 -3.491476739e-01 2.30 -7.034944172e-01 -7.034944172e-01 2.32 -1.025493765e+00 -1.025493765e+00 2.34 -1.317517174e+00 -1.317517174e+00 2.36 -1.581791354e+00 -1.581791354e+00 2.38 -1.820391013e+00 -1.820391013e+00 2.40 -2.035231689e+00 -2.035231689e+00 2.42 -2.228070612e+00 -2.228070612e+00 2.44 -2.400518966e+00 -2.400518966e+00 2.46 -2.554062920e+00 -2.554062920e+00 2.48 -2.690087028e+00 -2.690087028e+00 2.50 -2.809892488e+00 -2.809892488e+00 2.52 -2.914715408e+00 -2.914715408e+00 2.54 -3.005736773e+00 -3.005736773e+00 2.56 -3.084088880e+00 -3.084088880e+00 2.58 -3.150897993e+00 -3.150897993e+00 2.60 -3.207249776e+00 -3.207249776e+00 2.62 -3.254010550e+00 -3.254010550e+00 2.64 -3.291871717e+00 -3.291871717e+00 2.66 -3.321478917e+00 -3.321478917e+00 2.68 -3.343454944e+00 -3.343454944e+00 2.70 -3.358386489e+00 -3.358386489e+00 2.72 -3.366819433e+00 -3.366819433e+00 2.74 -3.369257320e+00 -3.369257320e+00 2.76 -3.366162435e+00 -3.366162435e+00 2.78 -3.357965878e+00 -3.357965878e+00 2.80 -3.345203399e+00 -3.345203399e+00 2.82 -3.328279580e+00 -3.328279580e+00 2.84 -3.307324926e+00 -3.307324926e+00 2.86 -3.282484365e+00 -3.282484365e+00 2.88 -3.253914237e+00 -3.253914237e+00 2.90 -3.221781109e+00 -3.221781109e+00 2.92 -3.186262879e+00 -3.186262879e+00 2.94 -3.147551215e+00 -3.147551215e+00 2.96 -3.105857955e+00 -3.105857955e+00 2.98 -3.061428723e+00 -3.061428723e+00 3.00 -3.014531648e+00 -3.014531648e+00 3.02 -2.965453424e+00 -2.965453424e+00 3.04 -2.914497326e+00 -2.914497326e+00 3.06 -2.861977529e+00 -2.861977529e+00 3.08 -2.808209869e+00 -2.808209869e+00 3.10 -2.753500260e+00 -2.753500260e+00 3.12 -2.698132838e+00 -2.698132838e+00 3.14 -2.642360155e+00 -2.642360155e+00 3.16 -2.586397178e+00 -2.586397178e+00 3.18 -2.530419813e+00 -2.530419813e+00 3.20 -2.474567414e+00 -2.474567414e+00 3.22 -2.418948069e+00 -2.418948069e+00 3.24 -2.363645126e+00 -2.363645126e+00 3.26 -2.308723720e+00 -2.308723720e+00 3.28 -2.254236467e+00 -2.254236467e+00 3.30 -2.200227934e+00 -2.200227934e+00 3.32 -2.146737855e+00 -2.146737855e+00 3.34 -2.093803214e+00 -2.093803214e+00 3.36 -2.041459409e+00 -2.041459409e+00 3.38 -1.989740726e+00 -1.989740726e+00 3.40 -1.938680314e+00 -1.938680314e+00 3.42 -1.888309837e+00 -1.888309837e+00 3.44 -1.838658949e+00 -1.838658949e+00 3.46 -1.789754719e+00 -1.789754719e+00 3.48 -1.741621089e+00 -1.741621089e+00 3.50 -1.694278449e+00 -1.694278449e+00 3.52 -1.647743361e+00 -1.647743361e+00 3.54 -1.602028433e+00 -1.602028433e+00 3.56 -1.557142339e+00 -1.557142339e+00 3.58 -1.513089951e+00 -1.513089951e+00 3.60 -1.469872554e+00 -1.469872554e+00 3.62 -1.427488118e+00 -1.427488118e+00 3.64 -1.385931635e+00 -1.385931635e+00 3.66 -1.345195508e+00 -1.345195508e+00 3.68 -1.305270042e+00 -1.305270042e+00 3.70 -1.266144058e+00 -1.266144058e+00 3.72 -1.227805648e+00 -1.227805648e+00 3.74 -1.190243065e+00 -1.190243065e+00 3.76 -1.153445709e+00 -1.153445709e+00 3.78 -1.117405115e+00 -1.117405115e+00 3.80 -1.082115808e+00 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-4.114497498e-01 -4.114497498e-01 4.34 -3.932219882e-01 -3.932219882e-01 4.36 -3.755155812e-01 -3.755155812e-01 4.38 -3.583511920e-01 -3.583511920e-01 4.40 -3.417489167e-01 -3.417489167e-01 4.42 -3.257269877e-01 -3.257269877e-01 4.44 -3.103006448e-01 -3.103006448e-01 4.46 -2.954811917e-01 -2.954811917e-01 4.48 -2.812752317e-01 -2.812752317e-01 4.50 -2.676840734e-01 -2.676840734e-01 4.52 -2.547033060e-01 -2.547033060e-01 4.54 -2.423225660e-01 -2.423225660e-01 4.56 -2.305255250e-01 -2.305255250e-01 4.58 -2.192901304e-01 -2.192901304e-01 4.60 -2.085891118e-01 -2.085891118e-01 4.62 -1.983907388e-01 -1.983907388e-01 4.64 -1.886597888e-01 -1.886597888e-01 4.66 -1.793586587e-01 -1.793586587e-01 4.68 -1.704485479e-01 -1.704485479e-01 4.70 -1.618906427e-01 -1.618906427e-01 4.72 -1.536472431e-01 -1.536472431e-01 4.74 -1.456827943e-01 -1.456827943e-01 4.76 -1.379647991e-01 -1.379647991e-01 4.78 -1.304646005e-01 -1.304646005e-01 4.80 -1.231580311e-01 -1.231580311e-01 4.82 -1.160259340e-01 -1.160259340e-01 4.84 -1.090545247e-01 -1.090545247e-01 4.86 -1.022356133e-01 -1.022356133e-01 4.88 -9.556664061e-02 -9.556664061e-02 4.90 -8.905051616e-02 -8.905051616e-02 4.92 -8.269523490e-02 -8.269523490e-02 4.94 -7.651326055e-02 -7.651326055e-02 4.96 -7.052068015e-02 -7.052068015e-02 4.98 -6.473615553e-02 -6.473615553e-02 5.00 -5.917971950e-02 -5.917971950e-02 5.02 -5.387149458e-02 -5.387149458e-02 5.04 -4.883041792e-02 -4.883041792e-02 5.06 -4.407306733e-02 -4.407306733e-02 5.08 -3.961267572e-02 -3.961267572e-02 5.10 -3.545825828e-02 -3.545825828e-02 5.12 -3.161418814e-02 -3.161418814e-02 5.14 -2.808071847e-02 -2.808071847e-02 5.16 -2.485356986e-02 -2.485356986e-02 5.18 -2.192431201e-02 -2.192431201e-02 5.20 -1.928080940e-02 -1.928080940e-02 5.22 -1.690797796e-02 -1.690797796e-02 5.24 -1.478910575e-02 -1.478910575e-02 5.26 -1.290600270e-02 -1.290600270e-02 5.28 -1.123967075e-02 -1.123967075e-02 5.30 -9.770911357e-03 -9.770911357e-03 5.32 -8.480824262e-03 -8.480824262e-03 5.34 -7.351194964e-03 -7.351194964e-03 5.36 -6.364777096e-03 -6.364777096e-03 5.38 -5.505481153e-03 -5.505481153e-03 5.40 -4.758483919e-03 -4.758483919e-03 5.42 -4.110273765e-03 -4.110273765e-03 5.44 -3.548646349e-03 -3.548646349e-03 5.46 -3.062663830e-03 -3.062663830e-03 5.48 -2.642588804e-03 -2.642588804e-03 5.50 -2.279802135e-03 -2.279802135e-03 5.52 -1.966711945e-03 -1.966711945e-03 5.54 -1.696659260e-03 -1.696659260e-03 5.56 -1.463824322e-03 -1.463824322e-03 5.58 -1.263136378e-03 -1.263136378e-03 5.60 -1.090188744e-03 -1.090188744e-03 5.62 -9.411602421e-04 -9.411602421e-04 5.64 -8.127435089e-04 -8.127435089e-04 5.66 -7.020803105e-04 -7.020803105e-04 5.68 -6.067036893e-04 -6.067036893e-04 5.70 -5.244866116e-04 -5.244866116e-04 5.72 -4.535966602e-04 -4.535966602e-04 5.74 -3.924562648e-04 -3.924562648e-04 5.76 -3.397079401e-04 -3.397079401e-04 5.78 -2.941840109e-04 -2.941840109e-04 5.80 -2.548803215e-04 -2.548803215e-04 5.82 -2.209334622e-04 -2.209334622e-04 5.84 -1.916010827e-04 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