# 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 = AgPt2Ta # 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 4.157152726e+02 4.157152726e+02 1.30 3.879737063e+02 3.879737063e+02 1.32 3.621313122e+02 3.621313122e+02 1.34 3.380522088e+02 3.380522088e+02 1.36 3.156013210e+02 3.156013210e+02 1.38 2.946469106e+02 2.946469106e+02 1.40 2.750657276e+02 2.750657276e+02 1.42 2.567476392e+02 2.567476392e+02 1.44 2.395956576e+02 2.395956576e+02 1.46 2.235236893e+02 2.235236893e+02 1.48 2.084562282e+02 2.084562282e+02 1.50 1.943286418e+02 1.943286418e+02 1.52 1.810847280e+02 1.810847280e+02 1.54 1.686720306e+02 1.686720306e+02 1.56 1.570379045e+02 1.570379045e+02 1.58 1.461280466e+02 1.461280466e+02 1.60 1.358872046e+02 1.358872046e+02 1.62 1.262610950e+02 1.262610950e+02 1.64 1.171987369e+02 1.171987369e+02 1.66 1.086546079e+02 1.086546079e+02 1.68 1.005900790e+02 1.005900790e+02 1.70 9.297365767e+01 9.297365767e+01 1.72 8.577975456e+01 8.577975456e+01 1.74 7.898611645e+01 7.898611645e+01 1.76 7.257082090e+01 7.257082090e+01 1.78 6.651036296e+01 6.651036296e+01 1.80 6.078249252e+01 6.078249252e+01 1.82 5.536319769e+01 5.536319769e+01 1.84 5.022907615e+01 5.022907615e+01 1.86 4.540524515e+01 4.540524515e+01 1.88 4.094972154e+01 4.094972154e+01 1.90 3.684085693e+01 3.684085693e+01 1.92 3.305751506e+01 3.305751506e+01 1.94 2.957935174e+01 2.957935174e+01 1.96 2.638636369e+01 2.638636369e+01 1.98 2.345912179e+01 2.345912179e+01 2.00 2.077906302e+01 2.077906302e+01 2.02 1.832848446e+01 1.832848446e+01 2.04 1.609031758e+01 1.609031758e+01 2.06 1.404794492e+01 1.404794492e+01 2.08 1.218521573e+01 1.218521573e+01 2.10 1.048662896e+01 1.048662896e+01 2.12 8.937561477e+00 8.937561477e+00 2.14 7.524446863e+00 7.524446863e+00 2.16 6.234879318e+00 6.234879318e+00 2.18 5.057656379e+00 5.057656379e+00 2.20 3.982773930e+00 3.982773930e+00 2.22 3.001376169e+00 3.001376169e+00 2.24 2.105662670e+00 2.105662670e+00 2.26 1.288762953e+00 1.288762953e+00 2.28 5.445955640e-01 5.445955640e-01 2.30 -1.322710127e-01 -1.322710127e-01 2.32 -7.467424263e-01 -7.467424263e-01 2.34 -1.303300145e+00 -1.303300145e+00 2.36 -1.806079422e+00 -1.806079422e+00 2.38 -2.258927443e+00 -2.258927443e+00 2.40 -2.665448988e+00 -2.665448988e+00 2.42 -3.029046892e+00 -3.029046892e+00 2.44 -3.352961147e+00 -3.352961147e+00 2.46 -3.640305829e+00 -3.640305829e+00 2.48 -3.894099682e+00 -3.894099682e+00 2.50 -4.117221629e+00 -4.117221629e+00 2.52 -4.312497206e+00 -4.312497206e+00 2.54 -4.482823099e+00 -4.482823099e+00 2.56 -4.630917021e+00 -4.630917021e+00 2.58 -4.759251847e+00 -4.759251847e+00 2.60 -4.870000580e+00 -4.870000580e+00 2.62 -4.965007467e+00 -4.965007467e+00 2.64 -5.046477822e+00 -5.046477822e+00 2.66 -5.117310985e+00 -5.117310985e+00 2.68 -5.177851536e+00 -5.177851536e+00 2.70 -5.228268981e+00 -5.228268981e+00 2.72 -5.268739468e+00 -5.268739468e+00 2.74 -5.299453929e+00 -5.299453929e+00 2.76 -5.320622379e+00 -5.320622379e+00 2.78 -5.332475138e+00 -5.332475138e+00 2.80 -5.335262756e+00 -5.335262756e+00 2.82 -5.329256655e+00 -5.329256655e+00 2.84 -5.314752393e+00 -5.314752393e+00 2.86 -5.292076741e+00 -5.292076741e+00 2.88 -5.261598753e+00 -5.261598753e+00 2.90 -5.223743484e+00 -5.223743484e+00 2.92 -5.179005235e+00 -5.179005235e+00 2.94 -5.127955688e+00 -5.127955688e+00 2.96 -5.071241835e+00 -5.071241835e+00 2.98 -5.009570047e+00 -5.009570047e+00 3.00 -4.943676070e+00 -4.943676070e+00 3.02 -4.874285279e+00 -4.874285279e+00 3.04 -4.802071057e+00 -4.802071057e+00 3.06 -4.727620079e+00 -4.727620079e+00 3.08 -4.651410849e+00 -4.651410849e+00 3.10 -4.573807822e+00 -4.573807822e+00 3.12 -4.495069263e+00 -4.495069263e+00 3.14 -4.415445936e+00 -4.415445936e+00 3.16 -4.335033829e+00 -4.335033829e+00 3.18 -4.253780143e+00 -4.253780143e+00 3.20 -4.171621149e+00 -4.171621149e+00 3.22 -4.088498477e+00 -4.088498477e+00 3.24 -4.004372208e+00 -4.004372208e+00 3.26 -3.919230634e+00 -3.919230634e+00 3.28 -3.833097117e+00 -3.833097117e+00 3.30 -3.746040558e+00 -3.746040558e+00 3.32 -3.658171382e+00 -3.658171382e+00 3.34 -3.569629192e+00 -3.569629192e+00 3.36 -3.480575295e+00 -3.480575295e+00 3.38 -3.391183422e+00 -3.391183422e+00 3.40 -3.301629549e+00 -3.301629549e+00 3.42 -3.212082038e+00 -3.212082038e+00 3.44 -3.122693143e+00 -3.122693143e+00 3.46 -3.033592688e+00 -3.033592688e+00 3.48 -2.944884282e+00 -2.944884282e+00 3.50 -2.856644317e+00 -2.856644317e+00 3.52 -2.768972398e+00 -2.768972398e+00 3.54 -2.682051828e+00 -2.682051828e+00 3.56 -2.596046497e+00 -2.596046497e+00 3.58 -2.511091717e+00 -2.511091717e+00 3.60 -2.427302114e+00 -2.427302114e+00 3.62 -2.344778983e+00 -2.344778983e+00 3.64 -2.263616805e+00 -2.263616805e+00 3.66 -2.183908672e+00 -2.183908672e+00 3.68 -2.105750393e+00 -2.105750393e+00 3.70 -2.029243072e+00 -2.029243072e+00 3.72 -1.954494008e+00 -1.954494008e+00 3.74 -1.881615833e+00 -1.881615833e+00 3.76 -1.810723940e+00 -1.810723940e+00 3.78 -1.741932411e+00 -1.741932411e+00 3.80 -1.675348812e+00 -1.675348812e+00 3.82 -1.611068408e+00 -1.611068408e+00 3.84 -1.549168423e+00 -1.549168423e+00 3.86 -1.489703040e+00 -1.489703040e+00 3.88 -1.432699701e+00 -1.432699701e+00 3.90 -1.378157153e+00 -1.378157153e+00 3.92 -1.326045432e+00 -1.326045432e+00 3.94 -1.276307741e+00 -1.276307741e+00 3.96 -1.228863938e+00 -1.228863938e+00 3.98 -1.183615244e+00 -1.183615244e+00 4.00 -1.140449660e+00 -1.140449660e+00 4.02 -1.099247578e+00 -1.099247578e+00 4.04 -1.059887159e+00 -1.059887159e+00 4.06 -1.022249083e+00 -1.022249083e+00 4.08 -9.862204178e-01 -9.862204178e-01 4.10 -9.516974149e-01 -9.516974149e-01 4.12 -9.185871846e-01 -9.185871846e-01 4.14 -8.868081552e-01 -8.868081552e-01 4.16 -8.562895602e-01 -8.562895602e-01 4.18 -8.269700214e-01 -8.269700214e-01 4.20 -7.987955381e-01 -7.987955381e-01 4.22 -7.717171809e-01 -7.717171809e-01 4.24 -7.456888033e-01 -7.456888033e-01 4.26 -7.206650337e-01 -7.206650337e-01 4.28 -6.965997252e-01 -6.965997252e-01 4.30 -6.734449283e-01 -6.734449283e-01 4.32 -6.511503533e-01 -6.511503533e-01 4.34 -6.296632178e-01 -6.296632178e-01 4.36 -6.089283484e-01 -6.089283484e-01 4.38 -5.888884196e-01 -5.888884196e-01 4.40 -5.694842501e-01 -5.694842501e-01 4.42 -5.506551178e-01 -5.506551178e-01 4.44 -5.323390939e-01 -5.323390939e-01 4.46 -5.144734151e-01 -5.144734151e-01 4.48 -4.969949200e-01 -4.969949200e-01 4.50 -4.798405751e-01 -4.798405751e-01 4.52 -4.629481094e-01 -4.629481094e-01 4.54 -4.462567738e-01 -4.462567738e-01 4.56 -4.297082391e-01 -4.297082391e-01 4.58 -4.132476442e-01 -4.132476442e-01 4.60 -3.968248065e-01 -3.968248065e-01 4.62 -3.803955966e-01 -3.803955966e-01 4.64 -3.639234651e-01 -3.639234651e-01 4.66 -3.473810894e-01 -3.473810894e-01 4.68 -3.307520731e-01 -3.307520731e-01 4.70 -3.140325965e-01 -3.140325965e-01 4.72 -2.972328780e-01 -2.972328780e-01 4.74 -2.803782719e-01 -2.803782719e-01 4.76 -2.635098112e-01 -2.635098112e-01 4.78 -2.466840071e-01 -2.466840071e-01 4.80 -2.299717527e-01 -2.299717527e-01 4.82 -2.134562566e-01 -2.134562566e-01 4.84 -1.972300017e-01 -1.972300017e-01 4.86 -1.813908959e-01 -1.813908959e-01 4.88 -1.660378445e-01 -1.660378445e-01 4.90 -1.512661009e-01 -1.512661009e-01 4.92 -1.371627896e-01 -1.371627896e-01 4.94 -1.238029881e-01 -1.238029881e-01 4.96 -1.112467035e-01 -1.112467035e-01 4.98 -9.953692809e-02 -9.953692809e-02 5.00 -8.869886575e-02 -8.869886575e-02 5.02 -7.874027295e-02 -7.874027295e-02 5.04 -6.965274565e-02 -6.965274565e-02 5.06 -6.141371758e-02 -6.141371758e-02 5.08 -5.398913010e-02 -5.398913010e-02 5.10 -4.733639426e-02 -4.733639426e-02 5.12 -4.140525951e-02 -4.140525951e-02 5.14 -3.614145346e-02 -3.614145346e-02 5.16 -3.148895769e-02 -3.148895769e-02 5.18 -2.739176246e-02 -2.739176246e-02 5.20 -2.379524867e-02 -2.379524867e-02 5.22 -2.064720834e-02 -2.064720834e-02 5.24 -1.789855932e-02 -1.789855932e-02 5.26 -1.550366637e-02 -1.550366637e-02 5.28 -1.342041397e-02 -1.342041397e-02 5.30 -1.161130829e-02 -1.161130829e-02 5.32 -1.004252783e-02 -1.004252783e-02 5.34 -8.683737565e-03 -8.683737565e-03 5.36 -7.507931763e-03 -7.507931763e-03 5.38 -6.491215874e-03 -6.491215874e-03 5.40 -5.612555337e-03 -5.612555337e-03 5.42 -4.853511307e-03 -4.853511307e-03 5.44 -4.197977016e-03 -4.197977016e-03 5.46 -3.631923858e-03 -3.631923858e-03 5.48 -3.143162831e-03 -3.143162831e-03 5.50 -2.721124499e-03 -2.721124499e-03 5.52 -2.356658861e-03 -2.356658861e-03 5.54 -2.041855336e-03 -2.041855336e-03 5.56 -1.769882232e-03 -1.769882232e-03 5.58 -1.534844627e-03 -1.534844627e-03 5.60 -1.331659257e-03 -1.331659257e-03 5.62 -1.155944900e-03 -1.155944900e-03 5.64 -1.003926717e-03 -1.003926717e-03 5.66 -8.723530335e-04 -8.723530335e-04 5.68 -7.584231365e-04 -7.584231365e-04 5.70 -6.597247662e-04 -6.597247662e-04 5.72 -5.741800993e-04 -5.741800993e-04 5.74 -4.999991350e-04 -4.999991350e-04 5.76 -4.356395175e-04 -4.356395175e-04 5.78 -3.797719395e-04 -3.797719395e-04 5.80 -3.312503722e-04 -3.312503722e-04 5.82 -2.890864621e-04 -2.890864621e-04 5.84 -2.524275214e-04 -2.524275214e-04 5.86 -2.205376118e-04 -2.205376118e-04 5.88 -1.927812890e-04 -1.927812890e-04 5.90 -1.686096358e-04 -1.686096358e-04 5.92 -1.475482599e-04 -1.475482599e-04 5.94 -1.291869793e-04 -1.291869793e-04 5.96 -1.131709572e-04 -1.131709572e-04 5.98 -9.919308025e-05 -9.919308025e-05 6.00 -8.698740436e-05 -8.698740436e-05