# 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 = Au2CuTa # 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 3.099267345e+02 3.099267345e+02 1.30 2.873701445e+02 2.873701445e+02 1.32 2.664987718e+02 2.664987718e+02 1.34 2.471836611e+02 2.471836611e+02 1.36 2.292994358e+02 2.292994358e+02 1.38 2.127262914e+02 2.127262914e+02 1.40 1.973529709e+02 1.973529709e+02 1.42 1.830783655e+02 1.830783655e+02 1.44 1.698115933e+02 1.698115933e+02 1.46 1.574712986e+02 1.574712986e+02 1.48 1.459848098e+02 1.459848098e+02 1.50 1.352874653e+02 1.352874653e+02 1.52 1.253218633e+02 1.253218633e+02 1.54 1.160365970e+02 1.160365970e+02 1.56 1.073845648e+02 1.073845648e+02 1.58 9.932151376e+01 9.932151376e+01 1.60 9.180537631e+01 9.180537631e+01 1.62 8.479634991e+01 8.479634991e+01 1.64 7.825722952e+01 7.825722952e+01 1.66 7.215360450e+01 7.215360450e+01 1.68 6.645387377e+01 6.645387377e+01 1.70 6.112918377e+01 6.112918377e+01 1.72 5.615332473e+01 5.615332473e+01 1.74 5.150253309e+01 5.150253309e+01 1.76 4.715514373e+01 4.715514373e+01 1.78 4.309376717e+01 4.309376717e+01 1.80 3.930210742e+01 3.930210742e+01 1.82 3.577762723e+01 3.577762723e+01 1.84 3.251024643e+01 3.251024643e+01 1.86 2.948046226e+01 2.948046226e+01 1.88 2.667030690e+01 2.667030690e+01 1.90 2.406354030e+01 2.406354030e+01 1.92 2.164573116e+01 2.164573116e+01 1.94 1.940417496e+01 1.940417496e+01 1.96 1.732766685e+01 1.732766685e+01 1.98 1.540617821e+01 1.540617821e+01 2.00 1.363050421e+01 1.363050421e+01 2.02 1.199194657e+01 1.199194657e+01 2.04 1.048207606e+01 1.048207606e+01 2.06 9.092597780e+00 9.092597780e+00 2.08 7.815323355e+00 7.815323355e+00 2.10 6.642232004e+00 6.642232004e+00 2.12 5.565581959e+00 5.565581959e+00 2.14 4.578026726e+00 4.578026726e+00 2.16 3.672701107e+00 3.672701107e+00 2.18 2.843262108e+00 2.843262108e+00 2.20 2.083888384e+00 2.083888384e+00 2.22 1.389251636e+00 1.389251636e+00 2.24 7.544734613e-01 7.544734613e-01 2.26 1.750756734e-01 1.750756734e-01 2.28 -3.530730711e-01 -3.530730711e-01 2.30 -8.338124421e-01 -8.338124421e-01 2.32 -1.270742271e+00 -1.270742271e+00 2.34 -1.667262267e+00 -1.667262267e+00 2.36 -2.026591150e+00 -2.026591150e+00 2.38 -2.351762537e+00 -2.351762537e+00 2.40 -2.645603801e+00 -2.645603801e+00 2.42 -2.910682276e+00 -2.910682276e+00 2.44 -3.149232888e+00 -3.149232888e+00 2.46 -3.363510288e+00 -3.363510288e+00 2.48 -3.555539007e+00 -3.555539007e+00 2.50 -3.727108364e+00 -3.727108364e+00 2.52 -3.879823700e+00 -3.879823700e+00 2.54 -4.015154949e+00 -4.015154949e+00 2.56 -4.134434675e+00 -4.134434675e+00 2.58 -4.238690674e+00 -4.238690674e+00 2.60 -4.328884950e+00 -4.328884950e+00 2.62 -4.406008571e+00 -4.406008571e+00 2.64 -4.471047910e+00 -4.471047910e+00 2.66 -4.524952930e+00 -4.524952930e+00 2.68 -4.568612384e+00 -4.568612384e+00 2.70 -4.602838760e+00 -4.602838760e+00 2.72 -4.628362726e+00 -4.628362726e+00 2.74 -4.645834392e+00 -4.645834392e+00 2.76 -4.655828348e+00 -4.655828348e+00 2.78 -4.658850653e+00 -4.658850653e+00 2.80 -4.655347293e+00 -4.655347293e+00 2.82 -4.645808154e+00 -4.645808154e+00 2.84 -4.630863914e+00 -4.630863914e+00 2.86 -4.610557645e+00 -4.610557645e+00 2.88 -4.584894451e+00 -4.584894451e+00 2.90 -4.553941940e+00 -4.553941940e+00 2.92 -4.517823663e+00 -4.517823663e+00 2.94 -4.476712581e+00 -4.476712581e+00 2.96 -4.430824394e+00 -4.430824394e+00 2.98 -4.380413317e+00 -4.380413317e+00 3.00 -4.325783801e+00 -4.325783801e+00 3.02 -4.267258113e+00 -4.267258113e+00 3.04 -4.205164559e+00 -4.205164559e+00 3.06 -4.139835010e+00 -4.139835010e+00 3.08 -4.071596348e+00 -4.071596348e+00 3.10 -4.000762141e+00 -4.000762141e+00 3.12 -3.927625825e+00 -3.927625825e+00 3.14 -3.852456636e+00 -3.852456636e+00 3.16 -3.775499022e+00 -3.775499022e+00 3.18 -3.696975595e+00 -3.696975595e+00 3.20 -3.617092863e+00 -3.617092863e+00 3.22 -3.536048455e+00 -3.536048455e+00 3.24 -3.454038367e+00 -3.454038367e+00 3.26 -3.371262851e+00 -3.371262851e+00 3.28 -3.287929910e+00 -3.287929910e+00 3.30 -3.204255800e+00 -3.204255800e+00 3.32 -3.120462449e+00 -3.120462449e+00 3.34 -3.036772171e+00 -3.036772171e+00 3.36 -2.953400482e+00 -2.953400482e+00 3.38 -2.870548072e+00 -2.870548072e+00 3.40 -2.788393087e+00 -2.788393087e+00 3.42 -2.707084719e+00 -2.707084719e+00 3.44 -2.626738855e+00 -2.626738855e+00 3.46 -2.547436136e+00 -2.547436136e+00 3.48 -2.469222434e+00 -2.469222434e+00 3.50 -2.392111457e+00 -2.392111457e+00 3.52 -2.316089043e+00 -2.316089043e+00 3.54 -2.241118626e+00 -2.241118626e+00 3.56 -2.167147435e+00 -2.167147435e+00 3.58 -2.094113048e+00 -2.094113048e+00 3.60 -2.021950042e+00 -2.021950042e+00 3.62 -1.950596559e+00 -1.950596559e+00 3.64 -1.880000651e+00 -1.880000651e+00 3.66 -1.810126269e+00 -1.810126269e+00 3.68 -1.740958707e+00 -1.740958707e+00 3.70 -1.672509278e+00 -1.672509278e+00 3.72 -1.604818884e+00 -1.604818884e+00 3.74 -1.537960111e+00 -1.537960111e+00 3.76 -1.472037467e+00 -1.472037467e+00 3.78 -1.407185423e+00 -1.407185423e+00 3.80 -1.343564068e+00 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-3.653093293e-01 -3.653093293e-01 4.34 -3.470578521e-01 -3.470578521e-01 4.36 -3.295747836e-01 -3.295747836e-01 4.38 -3.128450869e-01 -3.128450869e-01 4.40 -2.968577430e-01 -2.968577430e-01 4.42 -2.816037163e-01 -2.816037163e-01 4.44 -2.670740689e-01 -2.670740689e-01 4.46 -2.532583083e-01 -2.532583083e-01 4.48 -2.401430376e-01 -2.401430376e-01 4.50 -2.277109599e-01 -2.277109599e-01 4.52 -2.159402738e-01 -2.159402738e-01 4.54 -2.048044690e-01 -2.048044690e-01 4.56 -1.942725037e-01 -1.942725037e-01 4.58 -1.843093194e-01 -1.843093194e-01 4.60 -1.748766157e-01 -1.748766157e-01 4.62 -1.659338065e-01 -1.659338065e-01 4.64 -1.574390669e-01 -1.574390669e-01 4.66 -1.493503712e-01 -1.493503712e-01 4.68 -1.416260677e-01 -1.416260677e-01 4.70 -1.342269039e-01 -1.342269039e-01 4.72 -1.271162918e-01 -1.271162918e-01 4.74 -1.202606849e-01 -1.202606849e-01 4.76 -1.136302265e-01 -1.136302265e-01 4.78 -1.071992612e-01 -1.071992612e-01 4.80 -1.009467235e-01 -1.009467235e-01 4.82 -9.485641830e-02 -9.485641830e-02 4.84 -8.891717173e-02 -8.891717173e-02 4.86 -8.312286443e-02 -8.312286443e-02 4.88 -7.747230990e-02 -7.747230990e-02 4.90 -7.196896520e-02 -7.196896520e-02 4.92 -6.662045700e-02 -6.662045700e-02 4.94 -6.143791789e-02 -6.143791789e-02 4.96 -5.643514527e-02 -5.643514527e-02 4.98 -5.162761490e-02 -5.162761490e-02 5.00 -4.703140190e-02 -4.703140190e-02 5.02 -4.266207980e-02 -4.266207980e-02 5.04 -3.853367221e-02 -3.853367221e-02 5.06 -3.465773813e-02 -3.465773813e-02 5.08 -3.104265998e-02 -3.104265998e-02 5.10 -2.769317145e-02 -2.769317145e-02 5.12 -2.461015127e-02 -2.461015127e-02 5.14 -2.179066297e-02 -2.179066297e-02 5.16 -1.922821611e-02 -1.922821611e-02 5.18 -1.691320304e-02 -1.691320304e-02 5.20 -1.483342364e-02 -1.483342364e-02 5.22 -1.297440758e-02 -1.297440758e-02 5.24 -1.132082761e-02 -1.132082761e-02 5.26 -9.856654491e-03 -9.856654491e-03 5.28 -8.565510007e-03 -8.565510007e-03 5.30 -7.431134894e-03 -7.431134894e-03 5.32 -6.437758051e-03 -6.437758051e-03 5.34 -5.570370769e-03 -5.570370769e-03 5.36 -4.814915146e-03 -4.814915146e-03 5.38 -4.158398987e-03 -4.158398987e-03 5.40 -3.588950576e-03 -3.588950576e-03 5.42 -3.095826489e-03 -3.095826489e-03 5.44 -2.669384387e-03 -2.669384387e-03 5.46 -2.301031189e-03 -2.301031189e-03 5.48 -1.983155160e-03 -1.983155160e-03 5.50 -1.709048741e-03 -1.709048741e-03 5.52 -1.472827331e-03 -1.472827331e-03 5.54 -1.269347857e-03 -1.269347857e-03 5.56 -1.094129834e-03 -1.094129834e-03 5.58 -9.432806952e-04 -9.432806952e-04 5.60 -8.134264849e-04 -8.134264849e-04 5.62 -7.016484643e-04 -7.016484643e-04 5.64 -6.054258055e-04 -6.054258055e-04 5.66 -5.225842818e-04 -5.225842818e-04 5.68 -4.512506850e-04 -4.512506850e-04 5.70 -3.898125893e-04 -3.898125893e-04 5.72 -3.368830268e-04 -3.368830268e-04 5.74 -2.912696120e-04 -2.912696120e-04 5.76 -2.519476560e-04 -2.519476560e-04 5.78 -2.180368268e-04 -2.180368268e-04 5.80 -1.887809423e-04 -1.887809423e-04 5.82 -1.635305116e-04 -1.635305116e-04 5.84 -1.417276788e-04 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