# 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 = Ag2AlFe # 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 1.899451389e+02 1.899451389e+02 1.30 1.752759622e+02 1.752759622e+02 1.32 1.617405724e+02 1.617405724e+02 1.34 1.492447269e+02 1.492447269e+02 1.36 1.377025819e+02 1.377025819e+02 1.38 1.270370329e+02 1.270370329e+02 1.40 1.171786716e+02 1.171786716e+02 1.42 1.080640516e+02 1.080640516e+02 1.44 9.963416884e+01 9.963416884e+01 1.46 9.183382297e+01 9.183382297e+01 1.48 8.461205589e+01 8.461205589e+01 1.50 7.792298701e+01 7.792298701e+01 1.52 7.172597494e+01 7.172597494e+01 1.54 6.598478832e+01 6.598478832e+01 1.56 6.066641331e+01 6.066641331e+01 1.58 5.574018199e+01 5.574018199e+01 1.60 5.117733627e+01 5.117733627e+01 1.62 4.695161499e+01 4.695161499e+01 1.64 4.304126159e+01 4.304126159e+01 1.66 3.942430109e+01 3.942430109e+01 1.68 3.607826699e+01 3.607826699e+01 1.70 3.298227424e+01 3.298227424e+01 1.72 3.011717459e+01 3.011717459e+01 1.74 2.746551077e+01 2.746551077e+01 1.76 2.501133174e+01 2.501133174e+01 1.78 2.273999504e+01 2.273999504e+01 1.80 2.063805937e+01 2.063805937e+01 1.82 1.869325111e+01 1.869325111e+01 1.84 1.689441308e+01 1.689441308e+01 1.86 1.523137046e+01 1.523137046e+01 1.88 1.369471962e+01 1.369471962e+01 1.90 1.227559211e+01 1.227559211e+01 1.92 1.096545944e+01 1.096545944e+01 1.94 9.756035378e+00 9.756035378e+00 1.96 8.639302848e+00 8.639302848e+00 1.98 7.607641767e+00 7.607641767e+00 2.00 6.653991826e+00 6.653991826e+00 2.02 5.771980067e+00 5.771980067e+00 2.04 4.955970299e+00 4.955970299e+00 2.06 4.201025789e+00 4.201025789e+00 2.08 3.502805430e+00 3.502805430e+00 2.10 2.857430790e+00 2.857430790e+00 2.12 2.261361234e+00 2.261361234e+00 2.14 1.711300561e+00 1.711300561e+00 2.16 1.204142364e+00 1.204142364e+00 2.18 7.369497437e-01 7.369497437e-01 2.20 3.069585805e-01 3.069585805e-01 2.22 -8.840925092e-02 -8.840925092e-02 2.24 -4.515348057e-01 -4.515348057e-01 2.26 -7.845999579e-01 -7.845999579e-01 2.28 -1.089594875e+00 -1.089594875e+00 2.30 -1.368331855e+00 -1.368331855e+00 2.32 -1.622462257e+00 -1.622462257e+00 2.34 -1.853494445e+00 -1.853494445e+00 2.36 -2.062812539e+00 -2.062812539e+00 2.38 -2.251696114e+00 -2.251696114e+00 2.40 -2.421340968e+00 -2.421340968e+00 2.42 -2.572880490e+00 -2.572880490e+00 2.44 -2.707406414e+00 -2.707406414e+00 2.46 -2.825987173e+00 -2.825987173e+00 2.48 -2.929681948e+00 -2.929681948e+00 2.50 -3.019549262e+00 -3.019549262e+00 2.52 -3.096650657e+00 -3.096650657e+00 2.54 -3.162051358e+00 -3.162051358e+00 2.56 -3.216819456e+00 -3.216819456e+00 2.58 -3.262596170e+00 -3.262596170e+00 2.60 -3.300745851e+00 -3.300745851e+00 2.62 -3.331909625e+00 -3.331909625e+00 2.64 -3.356722198e+00 -3.356722198e+00 2.66 -3.375772744e+00 -3.375772744e+00 2.68 -3.389567823e+00 -3.389567823e+00 2.70 -3.398511088e+00 -3.398511088e+00 2.72 -3.402907096e+00 -3.402907096e+00 2.74 -3.403140725e+00 -3.403140725e+00 2.76 -3.399397287e+00 -3.399397287e+00 2.78 -3.391564853e+00 -3.391564853e+00 2.80 -3.379522523e+00 -3.379522523e+00 2.82 -3.363209542e+00 -3.363209542e+00 2.84 -3.342625432e+00 -3.342625432e+00 2.86 -3.317823262e+00 -3.317823262e+00 2.88 -3.288901763e+00 -3.288901763e+00 2.90 -3.255999131e+00 -3.255999131e+00 2.92 -3.219296704e+00 -3.219296704e+00 2.94 -3.179006584e+00 -3.179006584e+00 2.96 -3.135364902e+00 -3.135364902e+00 2.98 -3.088634444e+00 -3.088634444e+00 3.00 -3.039108342e+00 -3.039108342e+00 3.02 -2.987112387e+00 -2.987112387e+00 3.04 -2.933003157e+00 -2.933003157e+00 3.06 -2.877160002e+00 -2.877160002e+00 3.08 -2.819970542e+00 -2.819970542e+00 3.10 -2.761811919e+00 -2.761811919e+00 3.12 -2.703031667e+00 -2.703031667e+00 3.14 -2.643932701e+00 -2.643932701e+00 3.16 -2.584765599e+00 -2.584765599e+00 3.18 -2.525729266e+00 -2.525729266e+00 3.20 -2.466978497e+00 -2.466978497e+00 3.22 -2.408635569e+00 -2.408635569e+00 3.24 -2.350802619e+00 -2.350802619e+00 3.26 -2.293572148e+00 -2.293572148e+00 3.28 -2.237034113e+00 -2.237034113e+00 3.30 -2.181279170e+00 -2.181279170e+00 3.32 -2.126398513e+00 -2.126398513e+00 3.34 -2.072481284e+00 -2.072481284e+00 3.36 -2.019610718e+00 -2.019610718e+00 3.38 -1.967860117e+00 -1.967860117e+00 3.40 -1.917289498e+00 -1.917289498e+00 3.42 -1.867943432e+00 -1.867943432e+00 3.44 -1.819850231e+00 -1.819850231e+00 3.46 -1.773022422e+00 -1.773022422e+00 3.48 -1.727458217e+00 -1.727458217e+00 3.50 -1.683143630e+00 -1.683143630e+00 3.52 -1.640054889e+00 -1.640054889e+00 3.54 -1.598160846e+00 -1.598160846e+00 3.56 -1.557425180e+00 -1.557425180e+00 3.58 -1.517808249e+00 -1.517808249e+00 3.60 -1.479268556e+00 -1.479268556e+00 3.62 -1.441763819e+00 -1.441763819e+00 3.64 -1.405251696e+00 -1.405251696e+00 3.66 -1.369690231e+00 -1.369690231e+00 3.68 -1.335038085e+00 -1.335038085e+00 3.70 -1.301254622e+00 -1.301254622e+00 3.72 -1.268299935e+00 -1.268299935e+00 3.74 -1.236134828e+00 -1.236134828e+00 3.76 -1.204720824e+00 -1.204720824e+00 3.78 -1.174020205e+00 -1.174020205e+00 3.80 -1.143996099e+00 -1.143996099e+00 3.82 -1.114612604e+00 -1.114612604e+00 3.84 -1.085834937e+00 -1.085834937e+00 3.86 -1.057629592e+00 -1.057629592e+00 3.88 -1.029964467e+00 -1.029964467e+00 3.90 -1.002808954e+00 -1.002808954e+00 3.92 -9.761339566e-01 -9.761339566e-01 3.94 -9.499118776e-01 -9.499118776e-01 3.96 -9.241164944e-01 -9.241164944e-01 3.98 -8.987228536e-01 -8.987228536e-01 4.00 -8.737071383e-01 -8.737071383e-01 4.02 -8.490465820e-01 -8.490465820e-01 4.04 -8.247194723e-01 -8.247194723e-01 4.06 -8.007052911e-01 -8.007052911e-01 4.08 -7.769850357e-01 -7.769850357e-01 4.10 -7.535417397e-01 -7.535417397e-01 4.12 -7.303612748e-01 -7.303612748e-01 4.14 -7.074332422e-01 -7.074332422e-01 4.16 -6.847521500e-01 -6.847521500e-01 4.18 -6.623186003e-01 -6.623186003e-01 4.20 -6.401404357e-01 -6.401404357e-01 4.22 -6.182336665e-01 -6.182336665e-01 4.24 -5.966229931e-01 -5.966229931e-01 4.26 -5.753417376e-01 -5.753417376e-01 4.28 -5.544310411e-01 -5.544310411e-01 4.30 -5.339382538e-01 -5.339382538e-01 4.32 -5.139145571e-01 -5.139145571e-01 4.34 -4.944119774e-01 -4.944119774e-01 4.36 -4.754800644e-01 -4.754800644e-01 4.38 -4.571625827e-01 -4.571625827e-01 4.40 -4.394945771e-01 -4.394945771e-01 4.42 -4.225001223e-01 -4.225001223e-01 4.44 -4.061909616e-01 -4.061909616e-01 4.46 -3.905661013e-01 -3.905661013e-01 4.48 -3.756122990e-01 -3.756122990e-01 4.50 -3.613052758e-01 -3.613052758e-01 4.52 -3.476114285e-01 -3.476114285e-01 4.54 -3.344898029e-01 -3.344898029e-01 4.56 -3.218941181e-01 -3.218941181e-01 4.58 -3.097746812e-01 -3.097746812e-01 4.60 -2.980800915e-01 -2.980800915e-01 4.62 -2.867586872e-01 -2.867586872e-01 4.64 -2.757597358e-01 -2.757597358e-01 4.66 -2.650343977e-01 -2.650343977e-01 4.68 -2.545365138e-01 -2.545365138e-01 4.70 -2.442232713e-01 -2.442232713e-01 4.72 -2.340558036e-01 -2.340558036e-01 4.74 -2.239997671e-01 -2.239997671e-01 4.76 -2.140259261e-01 -2.140259261e-01 4.78 -2.041107587e-01 -2.041107587e-01 4.80 -1.942370706e-01 -1.942370706e-01 4.82 -1.843946286e-01 -1.843946286e-01 4.84 -1.745806631e-01 -1.745806631e-01 4.86 -1.648003143e-01 -1.648003143e-01 4.88 -1.550668351e-01 -1.550668351e-01 4.90 -1.454015159e-01 -1.454015159e-01 4.92 -1.358332484e-01 -1.358332484e-01 4.94 -1.263976809e-01 -1.263976809e-01 4.96 -1.171359477e-01 -1.171359477e-01 4.98 -1.080930060e-01 -1.080930060e-01 5.00 -9.931565785e-02 -9.931565785e-02 5.02 -9.085038906e-02 -9.085038906e-02 5.04 -8.274117881e-02 -8.274117881e-02 5.06 -7.502745258e-02 -7.502745258e-02 5.08 -6.774234478e-02 -6.774234478e-02 5.10 -6.091139303e-02 -6.091139303e-02 5.12 -5.455174608e-02 -5.455174608e-02 5.14 -4.867191764e-02 -4.867191764e-02 5.16 -4.327203589e-02 -4.327203589e-02 5.18 -3.834451389e-02 -3.834451389e-02 5.20 -3.387484057e-02 -3.387484057e-02 5.22 -2.984278695e-02 -2.984278695e-02 5.24 -2.622460649e-02 -2.622460649e-02 5.26 -2.299340343e-02 -2.299340343e-02 5.28 -2.011992208e-02 -2.011992208e-02 5.30 -1.757464406e-02 -1.757464406e-02 5.32 -1.532815367e-02 -1.532815367e-02 5.34 -1.335163157e-02 -1.335163157e-02 5.36 -1.161743457e-02 -1.161743457e-02 5.38 -1.009950028e-02 -1.009950028e-02 5.40 -8.773603295e-03 -8.773603295e-03 5.42 -7.617490888e-03 -7.617490888e-03 5.44 -6.610924772e-03 -6.610924772e-03 5.46 -5.735652742e-03 -5.735652742e-03 5.48 -4.975330531e-03 -4.975330531e-03 5.50 -4.315410550e-03 -4.315410550e-03 5.52 -3.743010690e-03 -3.743010690e-03 5.54 -3.246773292e-03 -3.246773292e-03 5.56 -2.816721738e-03 -2.816721738e-03 5.58 -2.444119929e-03 -2.444119929e-03 5.60 -2.121338252e-03 -2.121338252e-03 5.62 -1.841728225e-03 -1.841728225e-03 5.64 -1.599507088e-03 -1.599507088e-03 5.66 -1.389652825e-03 -1.389652825e-03 5.68 -1.207809604e-03 -1.207809604e-03 5.70 -1.050203296e-03 -1.050203296e-03 5.72 -9.135664748e-04 -9.135664748e-04 5.74 -7.950721991e-04 -7.950721991e-04 5.76 -6.922758144e-04 -6.922758144e-04 5.78 -6.030639892e-04 -6.030639892e-04 5.80 -5.256102267e-04 -5.256102267e-04 5.82 -4.583361291e-04 -4.583361291e-04 5.84 -3.998777435e-04 -3.998777435e-04 5.86 -3.490563729e-04 -3.490563729e-04 5.88 -3.048532992e-04 -3.048532992e-04 5.90 -2.663879167e-04 -2.663879167e-04 5.92 -2.328988369e-04 -2.328988369e-04 5.94 -2.037275707e-04 -2.037275707e-04 5.96 -1.783044460e-04 -1.783044460e-04 5.98 -1.561364595e-04 -1.561364595e-04 6.00 -1.367967997e-04 -1.367967997e-04