# 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 = Fe2PbTa # 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 3.263060574e+02 3.263060574e+02 1.30 3.017392925e+02 3.017392925e+02 1.32 2.790247016e+02 2.790247016e+02 1.34 2.580081960e+02 2.580081960e+02 1.36 2.385518117e+02 2.385518117e+02 1.38 2.205309029e+02 2.205309029e+02 1.40 2.038327511e+02 2.038327511e+02 1.42 1.883562315e+02 1.883562315e+02 1.44 1.740114157e+02 1.740114157e+02 1.46 1.607183495e+02 1.607183495e+02 1.48 1.484049095e+02 1.484049095e+02 1.50 1.370041131e+02 1.370041131e+02 1.52 1.264516468e+02 1.264516468e+02 1.54 1.166844686e+02 1.166844686e+02 1.56 1.076408612e+02 1.076408612e+02 1.58 9.926157711e+01 9.926157711e+01 1.60 9.149123155e+01 9.149123155e+01 1.62 8.427932590e+01 8.427932590e+01 1.64 7.758068962e+01 7.758068962e+01 1.66 7.135546616e+01 7.135546616e+01 1.68 6.556872718e+01 6.556872718e+01 1.70 6.018978039e+01 6.018978039e+01 1.72 5.519126704e+01 5.519126704e+01 1.74 5.055210713e+01 5.055210713e+01 1.76 4.625083946e+01 4.625083946e+01 1.78 4.226550999e+01 4.226550999e+01 1.80 3.857981142e+01 3.857981142e+01 1.82 3.517232830e+01 3.517232830e+01 1.84 3.202243989e+01 3.202243989e+01 1.86 2.911128741e+01 2.911128741e+01 1.88 2.642173331e+01 2.642173331e+01 1.90 2.393811782e+01 2.393811782e+01 1.92 2.164589696e+01 2.164589696e+01 1.94 1.953127397e+01 1.953127397e+01 1.96 1.758090719e+01 1.758090719e+01 1.98 1.578178539e+01 1.578178539e+01 2.00 1.412128878e+01 1.412128878e+01 2.02 1.258740601e+01 1.258740601e+01 2.04 1.116901883e+01 1.116901883e+01 2.06 9.856150366e+00 9.856150366e+00 2.08 8.640092783e+00 8.640092783e+00 2.10 7.513384138e+00 7.513384138e+00 2.12 6.469660507e+00 6.469660507e+00 2.14 5.503436521e+00 5.503436521e+00 2.16 4.609879303e+00 4.609879303e+00 2.18 3.784615213e+00 3.784615213e+00 2.20 3.023583127e+00 3.023583127e+00 2.22 2.322936840e+00 2.322936840e+00 2.24 1.678981990e+00 1.678981990e+00 2.26 1.088136906e+00 1.088136906e+00 2.28 5.469050526e-01 5.469050526e-01 2.30 5.186326253e-02 5.186326253e-02 2.32 -4.003479826e-01 -4.003479826e-01 2.34 -8.130083790e-01 -8.130083790e-01 2.36 -1.189178557e+00 -1.189178557e+00 2.38 -1.531918533e+00 -1.531918533e+00 2.40 -1.844319098e+00 -1.844319098e+00 2.42 -2.129172114e+00 -2.129172114e+00 2.44 -2.388946680e+00 -2.388946680e+00 2.46 -2.625791992e+00 -2.625791992e+00 2.48 -2.841403336e+00 -2.841403336e+00 2.50 -3.036943955e+00 -3.036943955e+00 2.52 -3.213518533e+00 -3.213518533e+00 2.54 -3.372223320e+00 -3.372223320e+00 2.56 -3.514132955e+00 -3.514132955e+00 2.58 -3.640291989e+00 -3.640291989e+00 2.60 -3.751708346e+00 -3.751708346e+00 2.62 -3.849346955e+00 -3.849346955e+00 2.64 -3.934126520e+00 -3.934126520e+00 2.66 -4.006911466e+00 -4.006911466e+00 2.68 -4.068511038e+00 -4.068511038e+00 2.70 -4.119676710e+00 -4.119676710e+00 2.72 -4.161102023e+00 -4.161102023e+00 2.74 -4.193424195e+00 -4.193424195e+00 2.76 -4.217227425e+00 -4.217227425e+00 2.78 -4.233047457e+00 -4.233047457e+00 2.80 -4.241377805e+00 -4.241377805e+00 2.82 -4.242681500e+00 -4.242681500e+00 2.84 -4.237382073e+00 -4.237382073e+00 2.86 -4.225872579e+00 -4.225872579e+00 2.88 -4.208528780e+00 -4.208528780e+00 2.90 -4.185711841e+00 -4.185711841e+00 2.92 -4.157769973e+00 -4.157769973e+00 2.94 -4.125039077e+00 -4.125039077e+00 2.96 -4.087842488e+00 -4.087842488e+00 2.98 -4.046462102e+00 -4.046462102e+00 3.00 -4.001000474e+00 -4.001000474e+00 3.02 -3.951528016e+00 -3.951528016e+00 3.04 -3.898150096e+00 -3.898150096e+00 3.06 -3.840998138e+00 -3.840998138e+00 3.08 -3.780212334e+00 -3.780212334e+00 3.10 -3.715941475e+00 -3.715941475e+00 3.12 -3.648403085e+00 -3.648403085e+00 3.14 -3.577686059e+00 -3.577686059e+00 3.16 -3.503824361e+00 -3.503824361e+00 3.18 -3.426893027e+00 -3.426893027e+00 3.20 -3.347016550e+00 -3.347016550e+00 3.22 -3.264328465e+00 -3.264328465e+00 3.24 -3.178990437e+00 -3.178990437e+00 3.26 -3.091260074e+00 -3.091260074e+00 3.28 -3.001497135e+00 -3.001497135e+00 3.30 -2.910158606e+00 -2.910158606e+00 3.32 -2.817783666e+00 -2.817783666e+00 3.34 -2.724968777e+00 -2.724968777e+00 3.36 -2.632334991e+00 -2.632334991e+00 3.38 -2.540491192e+00 -2.540491192e+00 3.40 -2.449997674e+00 -2.449997674e+00 3.42 -2.361336164e+00 -2.361336164e+00 3.44 -2.274885760e+00 -2.274885760e+00 3.46 -2.190912212e+00 -2.190912212e+00 3.48 -2.109566289e+00 -2.109566289e+00 3.50 -2.030891624e+00 -2.030891624e+00 3.52 -1.954839390e+00 -1.954839390e+00 3.54 -1.881287186e+00 -1.881287186e+00 3.56 -1.810059718e+00 -1.810059718e+00 3.58 -1.740949334e+00 -1.740949334e+00 3.60 -1.673735086e+00 -1.673735086e+00 3.62 -1.608199531e+00 -1.608199531e+00 3.64 -1.544142887e+00 -1.544142887e+00 3.66 -1.481394416e+00 -1.481394416e+00 3.68 -1.419821011e+00 -1.419821011e+00 3.70 -1.359333022e+00 -1.359333022e+00 3.72 -1.299887318e+00 -1.299887318e+00 3.74 -1.241487606e+00 -1.241487606e+00 3.76 -1.184182082e+00 -1.184182082e+00 3.78 -1.128058569e+00 -1.128058569e+00 3.80 -1.073237435e+00 -1.073237435e+00 3.82 -1.019862743e+00 -1.019862743e+00 3.84 -9.680922021e-01 -9.680922021e-01 3.86 -9.180866479e-01 -9.180866479e-01 3.88 -8.699997320e-01 -8.699997320e-01 3.90 -8.239685931e-01 -8.239685931e-01 3.92 -7.801055768e-01 -7.801055768e-01 3.94 -7.384939600e-01 -7.384939600e-01 3.96 -6.991834923e-01 -6.991834923e-01 3.98 -6.621904794e-01 -6.621904794e-01 4.00 -6.274978420e-01 -6.274978420e-01 4.02 -5.950582384e-01 -5.950582384e-01 4.04 -5.647983621e-01 -5.647983621e-01 4.06 -5.366239388e-01 -5.366239388e-01 4.08 -5.104249654e-01 -5.104249654e-01 4.10 -4.860795215e-01 -4.860795215e-01 4.12 -4.634637943e-01 -4.634637943e-01 4.14 -4.424476792e-01 -4.424476792e-01 4.16 -4.229040221e-01 -4.229040221e-01 4.18 -4.047096443e-01 -4.047096443e-01 4.20 -3.877472451e-01 -3.877472451e-01 4.22 -3.719066894e-01 -3.719066894e-01 4.24 -3.570857753e-01 -3.570857753e-01 4.26 -3.431905818e-01 -3.431905818e-01 4.28 -3.301354894e-01 -3.301354894e-01 4.30 -3.178429618e-01 -3.178429618e-01 4.32 -3.062431585e-01 -3.062431585e-01 4.34 -2.952734395e-01 -2.952734395e-01 4.36 -2.848778090e-01 -2.848778090e-01 4.38 -2.750063331e-01 -2.750063331e-01 4.40 -2.656145575e-01 -2.656145575e-01 4.42 -2.566629445e-01 -2.566629445e-01 4.44 -2.481163403e-01 -2.481163403e-01 4.46 -2.399434794e-01 -2.399434794e-01 4.48 -2.321165321e-01 -2.321165321e-01 4.50 -2.246106924e-01 -2.246106924e-01 4.52 -2.174038095e-01 -2.174038095e-01 4.54 -2.104760581e-01 -2.104760581e-01 4.56 -2.038096465e-01 -2.038096465e-01 4.58 -1.973885588e-01 -1.973885588e-01 4.60 -1.911983284e-01 -1.911983284e-01 4.62 -1.852258390e-01 -1.852258390e-01 4.64 -1.794591511e-01 -1.794591511e-01 4.66 -1.738873508e-01 -1.738873508e-01 4.68 -1.685004169e-01 -1.685004169e-01 4.70 -1.632891074e-01 -1.632891074e-01 4.72 -1.582448587e-01 -1.582448587e-01 4.74 -1.533597004e-01 -1.533597004e-01 4.76 -1.486261805e-01 -1.486261805e-01 4.78 -1.440373018e-01 -1.440373018e-01 4.80 -1.395856720e-01 -1.395856720e-01 4.82 -1.352667674e-01 -1.352667674e-01 4.84 -1.310737187e-01 -1.310737187e-01 4.86 -1.270008906e-01 -1.270008906e-01 4.88 -1.230429103e-01 -1.230429103e-01 4.90 -1.191946503e-01 -1.191946503e-01 4.92 -1.154512200e-01 -1.154512200e-01 4.94 -1.118079622e-01 -1.118079622e-01 4.96 -1.082604569e-01 -1.082604569e-01 4.98 -1.048045319e-01 -1.048045319e-01 5.00 -1.014362795e-01 -1.014362795e-01 5.02 -9.815207833e-02 -9.815207833e-02 5.04 -9.494862148e-02 -9.494862148e-02 5.06 -9.182294678e-02 -9.182294678e-02 5.08 -8.877247033e-02 -8.877247033e-02 5.10 -8.579501732e-02 -8.579501732e-02 5.12 -8.288884924e-02 -8.288884924e-02 5.14 -8.005268331e-02 -8.005268331e-02 5.16 -7.728569989e-02 -7.728569989e-02 5.18 -7.458753405e-02 -7.458753405e-02 5.20 -7.195824779e-02 -7.195824779e-02 5.22 -6.939828070e-02 -6.939828070e-02 5.24 -6.690837843e-02 -6.690837843e-02 5.26 -6.448948524e-02 -6.448948524e-02 5.28 -6.214257701e-02 -6.214257701e-02 5.30 -5.986872526e-02 -5.986872526e-02 5.32 -5.766888003e-02 -5.766888003e-02 5.34 -5.554372988e-02 -5.554372988e-02 5.36 -5.349359908e-02 -5.349359908e-02 5.38 -5.151836673e-02 -5.151836673e-02 5.40 -4.961741317e-02 -4.961741317e-02 5.42 -4.778959577e-02 -4.778959577e-02 5.44 -4.603325394e-02 -4.603325394e-02 5.46 -4.434624012e-02 -4.434624012e-02 5.48 -4.272597181e-02 -4.272597181e-02 5.50 -4.116949862e-02 -4.116949862e-02 5.52 -3.967357808e-02 -3.967357808e-02 5.54 -3.823475415e-02 -3.823475415e-02 5.56 -3.684943373e-02 -3.684943373e-02 5.58 -3.551395748e-02 -3.551395748e-02 5.60 -3.422466262e-02 -3.422466262e-02 5.62 -3.297793676e-02 -3.297793676e-02 5.64 -3.177026188e-02 -3.177026188e-02 5.66 -3.059825066e-02 -3.059825066e-02 5.68 -2.945867512e-02 -2.945867512e-02 5.70 -2.834848957e-02 -2.834848957e-02 5.72 -2.726484917e-02 -2.726484917e-02 5.74 -2.620512575e-02 -2.620512575e-02 5.76 -2.516692212e-02 -2.516692212e-02 5.78 -2.414808589e-02 -2.414808589e-02 5.80 -2.314672354e-02 -2.314672354e-02 5.82 -2.216121505e-02 -2.216121505e-02 5.84 -2.119022902e-02 -2.119022902e-02 5.86 -2.023273796e-02 -2.023273796e-02 5.88 -1.928803274e-02 -1.928803274e-02 5.90 -1.835573516e-02 -1.835573516e-02 5.92 -1.743580713e-02 -1.743580713e-02 5.94 -1.652852947e-02 -1.652852947e-02 5.96 -1.563440865e-02 -1.563440865e-02 5.98 -1.475443287e-02 -1.475443287e-02 6.00 -1.388992490e-02 -1.388992490e-02