# 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 = AuFeZr2 # 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 3.547935977e+02 3.547935977e+02 1.30 3.290230439e+02 3.290230439e+02 1.32 3.051676710e+02 3.051676710e+02 1.34 2.830716794e+02 2.830716794e+02 1.36 2.625922783e+02 2.625922783e+02 1.38 2.436001992e+02 2.436001992e+02 1.40 2.259788932e+02 2.259788932e+02 1.42 2.096228194e+02 2.096228194e+02 1.44 1.944358277e+02 1.944358277e+02 1.46 1.803298970e+02 1.803298970e+02 1.48 1.672243154e+02 1.672243154e+02 1.50 1.550452809e+02 1.550452809e+02 1.52 1.437255006e+02 1.437255006e+02 1.54 1.332032339e+02 1.332032339e+02 1.56 1.234211952e+02 1.234211952e+02 1.58 1.143257006e+02 1.143257006e+02 1.60 1.058663807e+02 1.058663807e+02 1.62 9.799620188e+01 9.799620188e+01 1.64 9.067162110e+01 9.067162110e+01 1.66 8.385253204e+01 8.385253204e+01 1.68 7.750207152e+01 7.750207152e+01 1.70 7.158637439e+01 7.158637439e+01 1.72 6.607426194e+01 6.607426194e+01 1.74 6.093696710e+01 6.093696710e+01 1.76 5.614793286e+01 5.614793286e+01 1.78 5.168267597e+01 5.168267597e+01 1.80 4.751862697e+01 4.751862697e+01 1.82 4.363490014e+01 4.363490014e+01 1.84 4.001209197e+01 4.001209197e+01 1.86 3.663219328e+01 3.663219328e+01 1.88 3.347848959e+01 3.347848959e+01 1.90 3.053542756e+01 3.053542756e+01 1.92 2.778886514e+01 2.778886514e+01 1.94 2.522596225e+01 2.522596225e+01 1.96 2.283685416e+01 2.283685416e+01 1.98 2.061628696e+01 2.061628696e+01 2.00 1.855251533e+01 1.855251533e+01 2.02 1.663448961e+01 1.663448961e+01 2.04 1.485209488e+01 1.485209488e+01 2.06 1.319606379e+01 1.319606379e+01 2.08 1.165787396e+01 1.165787396e+01 2.10 1.022966792e+01 1.022966792e+01 2.12 8.904156476e+00 8.904156476e+00 2.14 7.674546920e+00 7.674546920e+00 2.16 6.534482383e+00 6.534482383e+00 2.18 5.477986048e+00 5.477986048e+00 2.20 4.499435357e+00 4.499435357e+00 2.22 3.593525625e+00 3.593525625e+00 2.24 2.755261029e+00 2.755261029e+00 2.26 1.979966099e+00 1.979966099e+00 2.28 1.263294097e+00 1.263294097e+00 2.30 6.012667003e-01 6.012667003e-01 2.32 -9.750126671e-03 -9.750126671e-03 2.34 -5.730676940e-01 -5.730676940e-01 2.36 -1.091727677e+00 -1.091727677e+00 2.38 -1.568555976e+00 -1.568555976e+00 2.40 -2.006212302e+00 -2.006212302e+00 2.42 -2.407236766e+00 -2.407236766e+00 2.44 -2.774068896e+00 -2.774068896e+00 2.46 -3.109065259e+00 -3.109065259e+00 2.48 -3.414492847e+00 -3.414492847e+00 2.50 -3.692513774e+00 -3.692513774e+00 2.52 -3.945168450e+00 -3.945168450e+00 2.54 -4.174364442e+00 -4.174364442e+00 2.56 -4.381873076e+00 -4.381873076e+00 2.58 -4.569331730e+00 -4.569331730e+00 2.60 -4.738248672e+00 -4.738248672e+00 2.62 -4.890006472e+00 -4.890006472e+00 2.64 -5.025873405e+00 -5.025873405e+00 2.66 -5.146995790e+00 -5.146995790e+00 2.68 -5.254411181e+00 -5.254411181e+00 2.70 -5.349165358e+00 -5.349165358e+00 2.72 -5.432057898e+00 -5.432057898e+00 2.74 -5.503703040e+00 -5.503703040e+00 2.76 -5.564671215e+00 -5.564671215e+00 2.78 -5.615487864e+00 -5.615487864e+00 2.80 -5.656648191e+00 -5.656648191e+00 2.82 -5.688604175e+00 -5.688604175e+00 2.84 -5.711786374e+00 -5.711786374e+00 2.86 -5.726506015e+00 -5.726506015e+00 2.88 -5.732855887e+00 -5.732855887e+00 2.90 -5.730971650e+00 -5.730971650e+00 2.92 -5.721065908e+00 -5.721065908e+00 2.94 -5.703418739e+00 -5.703418739e+00 2.96 -5.678366739e+00 -5.678366739e+00 2.98 -5.646290969e+00 -5.646290969e+00 3.00 -5.607604528e+00 -5.607604528e+00 3.02 -5.562740673e+00 -5.562740673e+00 3.04 -5.512138005e+00 -5.512138005e+00 3.06 -5.456250498e+00 -5.456250498e+00 3.08 -5.395521700e+00 -5.395521700e+00 3.10 -5.330440667e+00 -5.330440667e+00 3.12 -5.261391144e+00 -5.261391144e+00 3.14 -5.188750505e+00 -5.188750505e+00 3.16 -5.112895528e+00 -5.112895528e+00 3.18 -5.034207924e+00 -5.034207924e+00 3.20 -4.953073947e+00 -4.953073947e+00 3.22 -4.869884916e+00 -4.869884916e+00 3.24 -4.785035902e+00 -4.785035902e+00 3.26 -4.698924345e+00 -4.698924345e+00 3.28 -4.611946362e+00 -4.611946362e+00 3.30 -4.524489986e+00 -4.524489986e+00 3.32 -4.436931721e+00 -4.436931721e+00 3.34 -4.349615287e+00 -4.349615287e+00 3.36 -4.262788576e+00 -4.262788576e+00 3.38 -4.176650050e+00 -4.176650050e+00 3.40 -4.091364772e+00 -4.091364772e+00 3.42 -4.007066912e+00 -4.007066912e+00 3.44 -3.923846704e+00 -3.923846704e+00 3.46 -3.841762187e+00 -3.841762187e+00 3.48 -3.760842229e+00 -3.760842229e+00 3.50 -3.681092845e+00 -3.681092845e+00 3.52 -3.602503339e+00 -3.602503339e+00 3.54 -3.525051615e+00 -3.525051615e+00 3.56 -3.448708391e+00 -3.448708391e+00 3.58 -3.373440308e+00 -3.373440308e+00 3.60 -3.299212120e+00 -3.299212120e+00 3.62 -3.225988185e+00 -3.225988185e+00 3.64 -3.153733535e+00 -3.153733535e+00 3.66 -3.082414762e+00 -3.082414762e+00 3.68 -3.012000947e+00 -3.012000947e+00 3.70 -2.942464818e+00 -2.942464818e+00 3.72 -2.873784259e+00 -2.873784259e+00 3.74 -2.805944198e+00 -2.805944198e+00 3.76 -2.738938805e+00 -2.738938805e+00 3.78 -2.672773750e+00 -2.672773750e+00 3.80 -2.607468144e+00 -2.607468144e+00 3.82 -2.543055619e+00 -2.543055619e+00 3.84 -2.479584026e+00 -2.479584026e+00 3.86 -2.417113299e+00 -2.417113299e+00 3.88 -2.355711392e+00 -2.355711392e+00 3.90 -2.295448606e+00 -2.295448606e+00 3.92 -2.236387543e+00 -2.236387543e+00 3.94 -2.178591794e+00 -2.178591794e+00 3.96 -2.122097410e+00 -2.122097410e+00 3.98 -2.066926741e+00 -2.066926741e+00 4.00 -2.013083507e+00 -2.013083507e+00 4.02 -1.960554422e+00 -1.960554422e+00 4.04 -1.909312312e+00 -1.909312312e+00 4.06 -1.859319981e+00 -1.859319981e+00 4.08 -1.810534167e+00 -1.810534167e+00 4.10 -1.762901768e+00 -1.762901768e+00 4.12 -1.716393361e+00 -1.716393361e+00 4.14 -1.670957082e+00 -1.670957082e+00 4.16 -1.626554012e+00 -1.626554012e+00 4.18 -1.583150027e+00 -1.583150027e+00 4.20 -1.540716181e+00 -1.540716181e+00 4.22 -1.499228727e+00 -1.499228727e+00 4.24 -1.458668848e+00 -1.458668848e+00 4.26 -1.419022164e+00 -1.419022164e+00 4.28 -1.380278054e+00 -1.380278054e+00 4.30 -1.342428824e+00 -1.342428824e+00 4.32 -1.305468775e+00 -1.305468775e+00 4.34 -1.269393223e+00 -1.269393223e+00 4.36 -1.234197521e+00 -1.234197521e+00 4.38 -1.199876176e+00 -1.199876176e+00 4.40 -1.166422104e+00 -1.166422104e+00 4.42 -1.133826087e+00 -1.133826087e+00 4.44 -1.102076454e+00 -1.102076454e+00 4.46 -1.071158981e+00 -1.071158981e+00 4.48 -1.041056992e+00 -1.041056992e+00 4.50 -1.011751611e+00 -1.011751611e+00 4.52 -9.832221189e-01 -9.832221189e-01 4.54 -9.554463608e-01 -9.554463608e-01 4.56 -9.284011674e-01 -9.284011674e-01 4.58 -9.020627533e-01 -9.020627533e-01 4.60 -8.764070761e-01 -8.764070761e-01 4.62 -8.514101504e-01 -8.514101504e-01 4.64 -8.270483148e-01 -8.270483148e-01 4.66 -8.032984615e-01 -8.032984615e-01 4.68 -7.801382358e-01 -7.801382358e-01 4.70 -7.575462175e-01 -7.575462175e-01 4.72 -7.355020922e-01 -7.355020922e-01 4.74 -7.139868185e-01 -7.139868185e-01 4.76 -6.929827947e-01 -6.929827947e-01 4.78 -6.724740220e-01 -6.724740220e-01 4.80 -6.524401085e-01 -6.524401085e-01 4.82 -6.328820491e-01 -6.328820491e-01 4.84 -6.137821166e-01 -6.137821166e-01 4.86 -5.951320307e-01 -5.951320307e-01 4.88 -5.769255268e-01 -5.769255268e-01 4.90 -5.591582478e-01 -5.591582478e-01 4.92 -5.418275349e-01 -5.418275349e-01 4.94 -5.249321134e-01 -5.249321134e-01 4.96 -5.084716778e-01 -5.084716778e-01 4.98 -4.924463934e-01 -4.924463934e-01 5.00 -4.768563454e-01 -4.768563454e-01 5.02 -4.617009729e-01 -4.617009729e-01 5.04 -4.469785335e-01 -4.469785335e-01 5.06 -4.326856430e-01 -4.326856430e-01 5.08 -4.188169274e-01 -4.188169274e-01 5.10 -4.053648164e-01 -4.053648164e-01 5.12 -3.923194899e-01 -3.923194899e-01 5.14 -3.796689787e-01 -3.796689787e-01 5.16 -3.673994035e-01 -3.673994035e-01 5.18 -3.554953306e-01 -3.554953306e-01 5.20 -3.439402159e-01 -3.439402159e-01 5.22 -3.327169075e-01 -3.327169075e-01 5.24 -3.218081797e-01 -3.218081797e-01 5.26 -3.111972724e-01 -3.111972724e-01 5.28 -3.008684162e-01 -3.008684162e-01 5.30 -2.908073214e-01 -2.908073214e-01 5.32 -2.810016144e-01 -2.810016144e-01 5.34 -2.714411995e-01 -2.714411995e-01 5.36 -2.621185275e-01 -2.621185275e-01 5.38 -2.530287479e-01 -2.530287479e-01 5.40 -2.441697241e-01 -2.441697241e-01 5.42 -2.355418965e-01 -2.355418965e-01 5.44 -2.271479851e-01 -2.271479851e-01 5.46 -2.189925383e-01 -2.189925383e-01 5.48 -2.110813479e-01 -2.110813479e-01 5.50 -2.034207683e-01 -2.034207683e-01 5.52 -1.960169935e-01 -1.960169935e-01 5.54 -1.888753504e-01 -1.888753504e-01 5.56 -1.819996676e-01 -1.819996676e-01 5.58 -1.753917725e-01 -1.753917725e-01 5.60 -1.690510207e-01 -1.690510207e-01 5.62 -1.629741387e-01 -1.629741387e-01 5.64 -1.571558527e-01 -1.571558527e-01 5.66 -1.515885184e-01 -1.515885184e-01 5.68 -1.462623884e-01 -1.462623884e-01 5.70 -1.411659906e-01 -1.411659906e-01 5.72 -1.362865385e-01 -1.362865385e-01 5.74 -1.316103387e-01 -1.316103387e-01 5.76 -1.271231678e-01 -1.271231678e-01 5.78 -1.228106006e-01 -1.228106006e-01 5.80 -1.186582800e-01 -1.186582800e-01 5.82 -1.146521297e-01 -1.146521297e-01 5.84 -1.107785097e-01 -1.107785097e-01 5.86 -1.070243254e-01 -1.070243254e-01 5.88 -1.033770982e-01 -1.033770982e-01 5.90 -9.982500773e-02 -9.982500773e-02 5.92 -9.635691544e-02 -9.635691544e-02 5.94 -9.296237919e-02 -9.296237919e-02 5.96 -8.963166574e-02 -8.963166574e-02 5.98 -8.635576835e-02 -8.635576835e-02 6.00 -8.312643446e-02 -8.312643446e-02