# 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 = AgAlAu2 # 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 2.605921967e+02 2.605921967e+02 1.30 2.419467495e+02 2.419467495e+02 1.32 2.246532015e+02 2.246532015e+02 1.34 2.086039239e+02 2.086039239e+02 1.36 1.937010049e+02 1.937010049e+02 1.38 1.798541684e+02 1.798541684e+02 1.40 1.669799902e+02 1.669799902e+02 1.42 1.550021500e+02 1.550021500e+02 1.44 1.438520650e+02 1.438520650e+02 1.46 1.334690612e+02 1.334690612e+02 1.48 1.237993099e+02 1.237993099e+02 1.50 1.147936667e+02 1.147936667e+02 1.52 1.064056229e+02 1.064056229e+02 1.54 9.859041580e+01 9.859041580e+01 1.56 9.130519619e+01 9.130519619e+01 1.58 8.450955442e+01 8.450955442e+01 1.60 7.816599705e+01 7.816599705e+01 1.62 7.224030639e+01 7.224030639e+01 1.64 6.670175295e+01 6.670175295e+01 1.66 6.152303750e+01 6.152303750e+01 1.68 5.668339324e+01 5.668339324e+01 1.70 5.218215125e+01 5.218215125e+01 1.72 4.799950313e+01 4.799950313e+01 1.74 4.411370901e+01 4.411370901e+01 1.76 4.050540987e+01 4.050540987e+01 1.78 3.715481386e+01 3.715481386e+01 1.80 3.404296186e+01 3.404296186e+01 1.82 3.115231276e+01 3.115231276e+01 1.84 2.846671471e+01 2.846671471e+01 1.86 2.597138104e+01 2.597138104e+01 1.88 2.365284326e+01 2.365284326e+01 1.90 2.149886000e+01 2.149886000e+01 1.92 1.949828737e+01 1.949828737e+01 1.94 1.764093152e+01 1.764093152e+01 1.96 1.591740480e+01 1.591740480e+01 1.98 1.431899438e+01 1.431899438e+01 2.00 1.283754184e+01 1.283754184e+01 2.02 1.146533647e+01 1.146533647e+01 2.04 1.019503714e+01 1.019503714e+01 2.06 9.019637216e+00 9.019637216e+00 2.08 7.932468902e+00 7.932468902e+00 2.10 6.927226931e+00 6.927226931e+00 2.12 5.997990763e+00 5.997990763e+00 2.14 5.139234549e+00 5.139234549e+00 2.16 4.345824588e+00 4.345824588e+00 2.18 3.613009408e+00 3.613009408e+00 2.20 2.936407513e+00 2.936407513e+00 2.22 2.311994553e+00 2.311994553e+00 2.24 1.736088509e+00 1.736088509e+00 2.26 1.205330725e+00 1.205330725e+00 2.28 7.166621708e-01 7.166621708e-01 2.30 2.672962577e-01 2.672962577e-01 2.32 -1.453100715e-01 -1.453100715e-01 2.34 -5.234855725e-01 -5.234855725e-01 2.36 -8.693736499e-01 -8.693736499e-01 2.38 -1.184960660e+00 -1.184960660e+00 2.40 -1.472103038e+00 -1.472103038e+00 2.42 -1.732552398e+00 -1.732552398e+00 2.44 -1.967977462e+00 -1.967977462e+00 2.46 -2.179981660e+00 -2.179981660e+00 2.48 -2.370115493e+00 -2.370115493e+00 2.50 -2.539883680e+00 -2.539883680e+00 2.52 -2.690748594e+00 -2.690748594e+00 2.54 -2.824132699e+00 -2.824132699e+00 2.56 -2.941422206e+00 -2.941422206e+00 2.58 -3.043971220e+00 -3.043971220e+00 2.60 -3.133101913e+00 -3.133101913e+00 2.62 -3.210094802e+00 -3.210094802e+00 2.64 -3.276166667e+00 -3.276166667e+00 2.66 -3.332505762e+00 -3.332505762e+00 2.68 -3.380204541e+00 -3.380204541e+00 2.70 -3.419956206e+00 -3.419956206e+00 2.72 -3.452379960e+00 -3.452379960e+00 2.74 -3.478621025e+00 -3.478621025e+00 2.76 -3.499105612e+00 -3.499105612e+00 2.78 -3.513917317e+00 -3.513917317e+00 2.80 -3.523160268e+00 -3.523160268e+00 2.82 -3.526958402e+00 -3.526958402e+00 2.84 -3.525445771e+00 -3.525445771e+00 2.86 -3.518769217e+00 -3.518769217e+00 2.88 -3.507093802e+00 -3.507093802e+00 2.90 -3.490608479e+00 -3.490608479e+00 2.92 -3.469548183e+00 -3.469548183e+00 2.94 -3.444228303e+00 -3.444228303e+00 2.96 -3.414842886e+00 -3.414842886e+00 2.98 -3.381605758e+00 -3.381605758e+00 3.00 -3.344781693e+00 -3.344781693e+00 3.02 -3.304687919e+00 -3.304687919e+00 3.04 -3.261690480e+00 -3.261690480e+00 3.06 -3.216193628e+00 -3.216193628e+00 3.08 -3.168622036e+00 -3.168622036e+00 3.10 -3.119399148e+00 -3.119399148e+00 3.12 -3.068927857e+00 -3.068927857e+00 3.14 -3.017565865e+00 -3.017565865e+00 3.16 -2.965610598e+00 -2.965610598e+00 3.18 -2.913295300e+00 -2.913295300e+00 3.20 -2.860792762e+00 -2.860792762e+00 3.22 -2.808224402e+00 -2.808224402e+00 3.24 -2.755671870e+00 -2.755671870e+00 3.26 -2.703188798e+00 -2.703188798e+00 3.28 -2.650811167e+00 -2.650811167e+00 3.30 -2.598565552e+00 -2.598565552e+00 3.32 -2.546475161e+00 -2.546475161e+00 3.34 -2.494563915e+00 -2.494563915e+00 3.36 -2.442858929e+00 -2.442858929e+00 3.38 -2.391391771e+00 -2.391391771e+00 3.40 -2.340198812e+00 -2.340198812e+00 3.42 -2.289320923e+00 -2.289320923e+00 3.44 -2.238802672e+00 -2.238802672e+00 3.46 -2.188691249e+00 -2.188691249e+00 3.48 -2.139035194e+00 -2.139035194e+00 3.50 -2.089883072e+00 -2.089883072e+00 3.52 -2.041282185e+00 -2.041282185e+00 3.54 -1.993277392e+00 -1.993277392e+00 3.56 -1.945910093e+00 -1.945910093e+00 3.58 -1.899217394e+00 -1.899217394e+00 3.60 -1.853231470e+00 -1.853231470e+00 3.62 -1.807979109e+00 -1.807979109e+00 3.64 -1.763481440e+00 -1.763481440e+00 3.66 -1.719753803e+00 -1.719753803e+00 3.68 -1.676805770e+00 -1.676805770e+00 3.70 -1.634641289e+00 -1.634641289e+00 3.72 -1.593258949e+00 -1.593258949e+00 3.74 -1.552652352e+00 -1.552652352e+00 3.76 -1.512810589e+00 -1.512810589e+00 3.78 -1.473718808e+00 -1.473718808e+00 3.80 -1.435358851e+00 -1.435358851e+00 3.82 -1.397709946e+00 -1.397709946e+00 3.84 -1.360749412e+00 -1.360749412e+00 3.86 -1.324453341e+00 -1.324453341e+00 3.88 -1.288797230e+00 -1.288797230e+00 3.90 -1.253756509e+00 -1.253756509e+00 3.92 -1.219306958e+00 -1.219306958e+00 3.94 -1.185425006e+00 -1.185425006e+00 3.96 -1.152087870e+00 -1.152087870e+00 3.98 -1.119273632e+00 -1.119273632e+00 4.00 -1.086961246e+00 -1.086961246e+00 4.02 -1.055130543e+00 -1.055130543e+00 4.04 -1.023762293e+00 -1.023762293e+00 4.06 -9.928384064e-01 -9.928384064e-01 4.08 -9.623423038e-01 -9.623423038e-01 4.10 -9.322595034e-01 -9.322595034e-01 4.12 -9.025785024e-01 -9.025785024e-01 4.14 -8.732917571e-01 -8.732917571e-01 4.16 -8.443969505e-01 -8.443969505e-01 4.18 -8.158982508e-01 -8.158982508e-01 4.20 -7.878074943e-01 -7.878074943e-01 4.22 -7.601450888e-01 -7.601450888e-01 4.24 -7.329404351e-01 -7.329404351e-01 4.26 -7.062316720e-01 -7.062316720e-01 4.28 -6.800646006e-01 -6.800646006e-01 4.30 -6.544907354e-01 -6.544907354e-01 4.32 -6.295645508e-01 -6.295645508e-01 4.34 -6.053401287e-01 -6.053401287e-01 4.36 -5.818675249e-01 -5.818675249e-01 4.38 -5.591892437e-01 -5.591892437e-01 4.40 -5.373372107e-01 -5.373372107e-01 4.42 -5.163305610e-01 -5.163305610e-01 4.44 -4.961744363e-01 -4.961744363e-01 4.46 -4.768598311e-01 -4.768598311e-01 4.48 -4.583643899e-01 -4.583643899e-01 4.50 -4.406539495e-01 -4.406539495e-01 4.52 -4.236845693e-01 -4.236845693e-01 4.54 -4.074047900e-01 -4.074047900e-01 4.56 -3.917578976e-01 -3.917578976e-01 4.58 -3.766840295e-01 -3.766840295e-01 4.60 -3.621220262e-01 -3.621220262e-01 4.62 -3.480109908e-01 -3.480109908e-01 4.64 -3.342915674e-01 -3.342915674e-01 4.66 -3.209069804e-01 -3.209069804e-01 4.68 -3.078038934e-01 -3.078038934e-01 4.70 -2.949331520e-01 -2.949331520e-01 4.72 -2.822504685e-01 -2.822504685e-01 4.74 -2.697170955e-01 -2.697170955e-01 4.76 -2.573005171e-01 -2.573005171e-01 4.78 -2.449751646e-01 -2.449751646e-01 4.80 -2.327231358e-01 -2.327231358e-01 4.82 -2.205349190e-01 -2.205349190e-01 4.84 -2.084099495e-01 -2.084099495e-01 4.86 -1.963570657e-01 -1.963570657e-01 4.88 -1.843946557e-01 -1.843946557e-01 4.90 -1.725504476e-01 -1.725504476e-01 4.92 -1.608608546e-01 -1.608608546e-01 4.94 -1.493698258e-01 -1.493698258e-01 4.96 -1.381271995e-01 -1.381271995e-01 4.98 -1.271866100e-01 -1.271866100e-01 5.00 -1.166030602e-01 -1.166030602e-01 5.02 -1.064303218e-01 -1.064303218e-01 5.04 -9.671836265e-02 -9.671836265e-02 5.06 -8.751100473e-02 -8.751100473e-02 5.08 -7.884399154e-02 -7.884399154e-02 5.10 -7.074361442e-02 -7.074361442e-02 5.12 -6.322596166e-02 -6.322596166e-02 5.14 -5.629681238e-02 -5.629681238e-02 5.16 -4.995211400e-02 -4.995211400e-02 5.18 -4.417892742e-02 -4.417892742e-02 5.20 -3.895668578e-02 -3.895668578e-02 5.22 -3.425828170e-02 -3.425828170e-02 5.24 -3.005264307e-02 -3.005264307e-02 5.26 -2.630573510e-02 -2.630573510e-02 5.28 -2.298167478e-02 -2.298167478e-02 5.30 -2.004394828e-02 -2.004394828e-02 5.32 -1.745606499e-02 -1.745606499e-02 5.34 -1.518322010e-02 -1.518322010e-02 5.36 -1.319248299e-02 -1.319248299e-02 5.38 -1.145293171e-02 -1.145293171e-02 5.40 -9.935933060e-03 -9.935933060e-03 5.42 -8.615278950e-03 -8.615278950e-03 5.44 -7.467212809e-03 -7.467212809e-03 5.46 -6.470375509e-03 -6.470375509e-03 5.48 -5.605695525e-03 -5.605695525e-03 5.50 -4.856243136e-03 -4.856243136e-03 5.52 -4.207064110e-03 -4.207064110e-03 5.54 -3.645004480e-03 -3.645004480e-03 5.56 -3.158534827e-03 -3.158534827e-03 5.58 -2.737579888e-03 -2.737579888e-03 5.60 -2.373357344e-03 -2.373357344e-03 5.62 -2.058228074e-03 -2.058228074e-03 5.64 -1.785559037e-03 -1.785559037e-03 5.66 -1.549599157e-03 -1.549599157e-03 5.68 -1.345367984e-03 -1.345367984e-03 5.70 -1.168556582e-03 -1.168556582e-03 5.72 -1.015439824e-03 -1.015439824e-03 5.74 -8.827991879e-04 -8.827991879e-04 5.76 -7.678550741e-04 -7.678550741e-04 5.78 -6.682076790e-04 -6.682076790e-04 5.80 -5.817854975e-04 -5.817854975e-04 5.82 -5.068005731e-04 -5.068005731e-04 5.84 -4.417096928e-04 -4.417096928e-04 5.86 -3.851807908e-04 -3.851807908e-04 5.88 -3.360639006e-04 -3.360639006e-04 5.90 -2.933660694e-04 -2.933660694e-04 5.92 -2.562297111e-04 -2.562297111e-04 5.94 -2.239139392e-04 -2.239139392e-04 5.96 -1.957784797e-04 -1.957784797e-04 5.98 -1.712698110e-04 -1.712698110e-04 6.00 -1.499092256e-04 -1.499092256e-04