# 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 = AuCo2Mg # 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 2.582174104e+02 2.582174104e+02 1.30 2.382168824e+02 2.382168824e+02 1.32 2.197635827e+02 2.197635827e+02 1.34 2.027295443e+02 2.027295443e+02 1.36 1.869990160e+02 1.869990160e+02 1.38 1.724671812e+02 1.724671812e+02 1.40 1.590385455e+02 1.590385455e+02 1.42 1.466254034e+02 1.466254034e+02 1.44 1.351467027e+02 1.351467027e+02 1.46 1.245276390e+02 1.245276390e+02 1.48 1.146997853e+02 1.146997853e+02 1.50 1.056010738e+02 1.056010738e+02 1.52 9.717525612e+01 9.717525612e+01 1.54 8.937107776e+01 8.937107776e+01 1.56 8.214151923e+01 8.214151923e+01 1.58 7.544324787e+01 7.544324787e+01 1.60 6.923623530e+01 6.923623530e+01 1.62 6.348347513e+01 6.348347513e+01 1.64 5.815667796e+01 5.815667796e+01 1.66 5.323409637e+01 5.323409637e+01 1.68 4.868619752e+01 4.868619752e+01 1.70 4.448430400e+01 4.448430400e+01 1.72 4.060208851e+01 4.060208851e+01 1.74 3.701538675e+01 3.701538675e+01 1.76 3.370202743e+01 3.370202743e+01 1.78 3.064166156e+01 3.064166156e+01 1.80 2.781561196e+01 2.781561196e+01 1.82 2.520672242e+01 2.520672242e+01 1.84 2.279918143e+01 2.279918143e+01 1.86 2.057834306e+01 2.057834306e+01 1.88 1.853056078e+01 1.853056078e+01 1.90 1.664305103e+01 1.664305103e+01 1.92 1.490379324e+01 1.490379324e+01 1.94 1.330148991e+01 1.330148991e+01 1.96 1.182558303e+01 1.182558303e+01 1.98 1.046629809e+01 1.046629809e+01 2.00 9.214669267e+00 9.214669267e+00 2.02 8.062522513e+00 8.062522513e+00 2.04 7.002419850e+00 7.002419850e+00 2.06 6.027576885e+00 6.027576885e+00 2.08 5.131769562e+00 5.131769562e+00 2.10 4.309246466e+00 4.309246466e+00 2.12 3.554661575e+00 3.554661575e+00 2.14 2.863029382e+00 2.863029382e+00 2.16 2.229700994e+00 2.229700994e+00 2.18 1.650352286e+00 1.650352286e+00 2.20 1.120976796e+00 1.120976796e+00 2.22 6.378738796e-01 6.378738796e-01 2.24 1.976314168e-01 1.976314168e-01 2.26 -2.028959553e-01 -2.028959553e-01 2.28 -5.666099821e-01 -5.666099821e-01 2.30 -8.961912033e-01 -8.961912033e-01 2.32 -1.194121118e+00 -1.194121118e+00 2.34 -1.462700556e+00 -1.462700556e+00 2.36 -1.704068174e+00 -1.704068174e+00 2.38 -1.920216004e+00 -1.920216004e+00 2.40 -2.113004416e+00 -2.113004416e+00 2.42 -2.284177400e+00 -2.284177400e+00 2.44 -2.435383546e+00 -2.435383546e+00 2.46 -2.568270036e+00 -2.568270036e+00 2.48 -2.684247281e+00 -2.684247281e+00 2.50 -2.784617336e+00 -2.784617336e+00 2.52 -2.870638969e+00 -2.870638969e+00 2.54 -2.943540665e+00 -2.943540665e+00 2.56 -3.004576310e+00 -3.004576310e+00 2.58 -3.054797069e+00 -3.054797069e+00 2.60 -3.095182867e+00 -3.095182867e+00 2.62 -3.126557157e+00 -3.126557157e+00 2.64 -3.149654976e+00 -3.149654976e+00 2.66 -3.165165563e+00 -3.165165563e+00 2.68 -3.173711787e+00 -3.173711787e+00 2.70 -3.175840386e+00 -3.175840386e+00 2.72 -3.172025431e+00 -3.172025431e+00 2.74 -3.162690615e+00 -3.162690615e+00 2.76 -3.148224439e+00 -3.148224439e+00 2.78 -3.128990870e+00 -3.128990870e+00 2.80 -3.105336628e+00 -3.105336628e+00 2.82 -3.077593770e+00 -3.077593770e+00 2.84 -3.046081521e+00 -3.046081521e+00 2.86 -3.011106508e+00 -3.011106508e+00 2.88 -2.972963337e+00 -2.972963337e+00 2.90 -2.931936130e+00 -2.931936130e+00 2.92 -2.888301451e+00 -2.888301451e+00 2.94 -2.842332720e+00 -2.842332720e+00 2.96 -2.794305697e+00 -2.794305697e+00 2.98 -2.744503966e+00 -2.744503966e+00 3.00 -2.693222742e+00 -2.693222742e+00 3.02 -2.640769016e+00 -2.640769016e+00 3.04 -2.587456336e+00 -2.587456336e+00 3.06 -2.533595213e+00 -2.533595213e+00 3.08 -2.479477958e+00 -2.479477958e+00 3.10 -2.425365449e+00 -2.425365449e+00 3.12 -2.371487616e+00 -2.371487616e+00 3.14 -2.318022365e+00 -2.318022365e+00 3.16 -2.265074235e+00 -2.265074235e+00 3.18 -2.212713491e+00 -2.212713491e+00 3.20 -2.160984516e+00 -2.160984516e+00 3.22 -2.109914596e+00 -2.109914596e+00 3.24 -2.059521681e+00 -2.059521681e+00 3.26 -2.009820247e+00 -2.009820247e+00 3.28 -1.960816635e+00 -1.960816635e+00 3.30 -1.912493180e+00 -1.912493180e+00 3.32 -1.864836949e+00 -1.864836949e+00 3.34 -1.817844856e+00 -1.817844856e+00 3.36 -1.771521059e+00 -1.771521059e+00 3.38 -1.725874496e+00 -1.725874496e+00 3.40 -1.680916814e+00 -1.680916814e+00 3.42 -1.636661025e+00 -1.636661025e+00 3.44 -1.593120246e+00 -1.593120246e+00 3.46 -1.550307228e+00 -1.550307228e+00 3.48 -1.508233865e+00 -1.508233865e+00 3.50 -1.466910840e+00 -1.466910840e+00 3.52 -1.426347306e+00 -1.426347306e+00 3.54 -1.386550581e+00 -1.386550581e+00 3.56 -1.347525878e+00 -1.347525878e+00 3.58 -1.309276097e+00 -1.309276097e+00 3.60 -1.271801704e+00 -1.271801704e+00 3.62 -1.235100729e+00 -1.235100729e+00 3.64 -1.199168888e+00 -1.199168888e+00 3.66 -1.163999839e+00 -1.163999839e+00 3.68 -1.129585552e+00 -1.129585552e+00 3.70 -1.095916766e+00 -1.095916766e+00 3.72 -1.062983501e+00 -1.062983501e+00 3.74 -1.030775565e+00 -1.030775565e+00 3.76 -9.992830025e-01 -9.992830025e-01 3.78 -9.684964561e-01 -9.684964561e-01 3.80 -9.384073687e-01 -9.384073687e-01 3.82 -9.090080250e-01 -9.090080250e-01 3.84 -8.802914117e-01 -8.802914117e-01 3.86 -8.522509111e-01 -8.522509111e-01 3.88 -8.248798625e-01 -8.248798625e-01 3.90 -7.981710471e-01 -7.981710471e-01 3.92 -7.721160700e-01 -7.721160700e-01 3.94 -7.467053263e-01 -7.467053263e-01 3.96 -7.219270233e-01 -7.219270233e-01 3.98 -6.977675079e-01 -6.977675079e-01 4.00 -6.742111915e-01 -6.742111915e-01 4.02 -6.512407840e-01 -6.512407840e-01 4.04 -6.288376910e-01 -6.288376910e-01 4.06 -6.069825502e-01 -6.069825502e-01 4.08 -5.856558840e-01 -5.856558840e-01 4.10 -5.648385924e-01 -5.648385924e-01 4.12 -5.445138872e-01 -5.445138872e-01 4.14 -5.246664486e-01 -5.246664486e-01 4.16 -5.052845621e-01 -5.052845621e-01 4.18 -4.863606452e-01 -4.863606452e-01 4.20 -4.678919522e-01 -4.678919522e-01 4.22 -4.498810104e-01 -4.498810104e-01 4.24 -4.323356635e-01 -4.323356635e-01 4.26 -4.152686150e-01 -4.152686150e-01 4.28 -3.986964211e-01 -3.986964211e-01 4.30 -3.826379590e-01 -3.826379590e-01 4.32 -3.671124982e-01 -3.671124982e-01 4.34 -3.521375850e-01 -3.521375850e-01 4.36 -3.377270046e-01 -3.377270046e-01 4.38 -3.238890802e-01 -3.238890802e-01 4.40 -3.106255082e-01 -3.106255082e-01 4.42 -2.979308324e-01 -2.979308324e-01 4.44 -2.857925486e-01 -2.857925486e-01 4.46 -2.741917388e-01 -2.741917388e-01 4.48 -2.631040776e-01 -2.631040776e-01 4.50 -2.525010368e-01 -2.525010368e-01 4.52 -2.423511302e-01 -2.423511302e-01 4.54 -2.326210807e-01 -2.326210807e-01 4.56 -2.232768329e-01 -2.232768329e-01 4.58 -2.142843813e-01 -2.142843813e-01 4.60 -2.056104137e-01 -2.056104137e-01 4.62 -1.972227953e-01 -1.972227953e-01 4.64 -1.890909291e-01 -1.890909291e-01 4.66 -1.811860365e-01 -1.811860365e-01 4.68 -1.734813969e-01 -1.734813969e-01 4.70 -1.659525855e-01 -1.659525855e-01 4.72 -1.585777358e-01 -1.585777358e-01 4.74 -1.513378460e-01 -1.513378460e-01 4.76 -1.442171377e-01 -1.442171377e-01 4.78 -1.372034585e-01 -1.372034585e-01 4.80 -1.302885079e-01 -1.302885079e-01 4.82 -1.234690792e-01 -1.234690792e-01 4.84 -1.167460901e-01 -1.167460901e-01 4.86 -1.101257007e-01 -1.101257007e-01 4.88 -1.036190650e-01 -1.036190650e-01 4.90 -9.724205022e-02 -9.724205022e-02 4.92 -9.101463566e-02 -9.101463566e-02 4.94 -8.495997915e-02 -8.495997915e-02 4.96 -7.910318530e-02 -7.910318530e-02 4.98 -7.346984434e-02 -7.346984434e-02 5.00 -6.808447152e-02 -6.808447152e-02 5.02 -6.296900680e-02 -6.296900680e-02 5.04 -5.814150225e-02 -5.814150225e-02 5.06 -5.361512811e-02 -5.361512811e-02 5.08 -4.939712716e-02 -4.939712716e-02 5.10 -4.548913843e-02 -4.548913843e-02 5.12 -4.188840682e-02 -4.188840682e-02 5.14 -3.858706615e-02 -3.858706615e-02 5.16 -3.557295868e-02 -3.557295868e-02 5.18 -3.283050016e-02 -3.283050016e-02 5.20 -3.034184913e-02 -3.034184913e-02 5.22 -2.808782520e-02 -2.808782520e-02 5.24 -2.604861294e-02 -2.604861294e-02 5.26 -2.420444844e-02 -2.420444844e-02 5.28 -2.253615758e-02 -2.253615758e-02 5.30 -2.102555202e-02 -2.102555202e-02 5.32 -1.965569779e-02 -1.965569779e-02 5.34 -1.841107574e-02 -1.841107574e-02 5.36 -1.727765390e-02 -1.727765390e-02 5.38 -1.624289133e-02 -1.624289133e-02 5.40 -1.529569012e-02 -1.529569012e-02 5.42 -1.442629450e-02 -1.442629450e-02 5.44 -1.362617564e-02 -1.362617564e-02 5.46 -1.288797822e-02 -1.288797822e-02 5.48 -1.220533509e-02 -1.220533509e-02 5.50 -1.157273178e-02 -1.157273178e-02 5.52 -1.098537917e-02 -1.098537917e-02 5.54 -1.043909546e-02 -1.043909546e-02 5.56 -9.930200747e-03 -9.930200747e-03 5.58 -9.455426292e-03 -9.455426292e-03 5.60 -9.011839362e-03 -9.011839362e-03 5.62 -8.596783346e-03 -8.596783346e-03 5.64 -8.207831815e-03 -8.207831815e-03 5.66 -7.842754538e-03 -7.842754538e-03 5.68 -7.499493075e-03 -7.499493075e-03 5.70 -7.176143539e-03 -7.176143539e-03 5.72 -6.870944287e-03 -6.870944287e-03 5.74 -6.582266709e-03 -6.582266709e-03 5.76 -6.308607691e-03 -6.308607691e-03 5.78 -6.048582803e-03 -6.048582803e-03 5.80 -5.800919639e-03 -5.800919639e-03 5.82 -5.564451040e-03 -5.564451040e-03 5.84 -5.338108182e-03 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