# 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 = CoFe2W # 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 2.330159395e+02 2.330159395e+02 1.30 2.128681283e+02 2.128681283e+02 1.32 1.944074495e+02 1.944074495e+02 1.34 1.774812920e+02 1.774812920e+02 1.36 1.619519318e+02 1.619519318e+02 1.38 1.476956164e+02 1.476956164e+02 1.40 1.346017491e+02 1.346017491e+02 1.42 1.225721093e+02 1.225721093e+02 1.44 1.115197342e+02 1.115197342e+02 1.46 1.013674586e+02 1.013674586e+02 1.48 9.204638458e+01 9.204638458e+01 1.50 8.349432889e+01 8.349432889e+01 1.52 7.565422856e+01 7.565422856e+01 1.54 6.847279423e+01 6.847279423e+01 1.56 6.189974594e+01 6.189974594e+01 1.58 5.588758386e+01 5.588758386e+01 1.60 5.039157962e+01 5.039157962e+01 1.62 4.536974182e+01 4.536974182e+01 1.64 4.078269750e+01 4.078269750e+01 1.66 3.659356008e+01 3.659356008e+01 1.68 3.276786651e+01 3.276786651e+01 1.70 2.927407149e+01 2.927407149e+01 1.72 2.608305686e+01 2.608305686e+01 1.74 2.316747826e+01 2.316747826e+01 1.76 2.050286238e+01 2.050286238e+01 1.78 1.806659501e+01 1.806659501e+01 1.80 1.583795102e+01 1.583795102e+01 1.82 1.379845646e+01 1.379845646e+01 1.84 1.193184189e+01 1.193184189e+01 1.86 1.022391818e+01 1.022391818e+01 1.88 8.662343992e+00 8.662343992e+00 1.90 7.236285301e+00 7.236285301e+00 1.92 5.936016155e+00 5.936016155e+00 1.94 4.752545169e+00 4.752545169e+00 1.96 3.677341570e+00 3.677341570e+00 1.98 2.702187193e+00 2.702187193e+00 2.00 1.819136418e+00 1.819136418e+00 2.02 1.020544435e+00 1.020544435e+00 2.04 2.991207867e-01 2.991207867e-01 2.06 -3.520239564e-01 -3.520239564e-01 2.08 -9.393504956e-01 -9.393504956e-01 2.10 -1.468877270e+00 -1.468877270e+00 2.12 -1.946169823e+00 -1.946169823e+00 2.14 -2.376324477e+00 -2.376324477e+00 2.16 -2.763946035e+00 -2.763946035e+00 2.18 -3.113128647e+00 -3.113128647e+00 2.20 -3.427445030e+00 -3.427445030e+00 2.22 -3.709852402e+00 -3.709852402e+00 2.24 -3.963161996e+00 -3.963161996e+00 2.26 -4.189863135e+00 -4.189863135e+00 2.28 -4.392090213e+00 -4.392090213e+00 2.30 -4.571710780e+00 -4.571710780e+00 2.32 -4.730383916e+00 -4.730383916e+00 2.34 -4.869316827e+00 -4.869316827e+00 2.36 -4.989395513e+00 -4.989395513e+00 2.38 -5.091586516e+00 -5.091586516e+00 2.40 -5.176909821e+00 -5.176909821e+00 2.42 -5.246405602e+00 -5.246405602e+00 2.44 -5.301114521e+00 -5.301114521e+00 2.46 -5.342067077e+00 -5.342067077e+00 2.48 -5.370277496e+00 -5.370277496e+00 2.50 -5.386738484e+00 -5.386738484e+00 2.52 -5.392427588e+00 -5.392427588e+00 2.54 -5.388319437e+00 -5.388319437e+00 2.56 -5.375248411e+00 -5.375248411e+00 2.58 -5.354002937e+00 -5.354002937e+00 2.60 -5.325330203e+00 -5.325330203e+00 2.62 -5.289922922e+00 -5.289922922e+00 2.64 -5.248406784e+00 -5.248406784e+00 2.66 -5.201328210e+00 -5.201328210e+00 2.68 -5.149084915e+00 -5.149084915e+00 2.70 -5.091954821e+00 -5.091954821e+00 2.72 -5.030183832e+00 -5.030183832e+00 2.74 -4.963980323e+00 -4.963980323e+00 2.76 -4.893525536e+00 -4.893525536e+00 2.78 -4.818993594e+00 -4.818993594e+00 2.80 -4.740557303e+00 -4.740557303e+00 2.82 -4.658393340e+00 -4.658393340e+00 2.84 -4.572687110e+00 -4.572687110e+00 2.86 -4.483605404e+00 -4.483605404e+00 2.88 -4.391067152e+00 -4.391067152e+00 2.90 -4.294952064e+00 -4.294952064e+00 2.92 -4.195264994e+00 -4.195264994e+00 2.94 -4.092126075e+00 -4.092126075e+00 2.96 -3.985756244e+00 -3.985756244e+00 2.98 -3.876459683e+00 -3.876459683e+00 3.00 -3.764603347e+00 -3.764603347e+00 3.02 -3.650594002e+00 -3.650594002e+00 3.04 -3.534853776e+00 -3.534853776e+00 3.06 -3.417796076e+00 -3.417796076e+00 3.08 -3.299804559e+00 -3.299804559e+00 3.10 -3.181218169e+00 -3.181218169e+00 3.12 -3.062324573e+00 -3.062324573e+00 3.14 -2.943362749e+00 -2.943362749e+00 3.16 -2.824533480e+00 -2.824533480e+00 3.18 -2.706014932e+00 -2.706014932e+00 3.20 -2.587979805e+00 -2.587979805e+00 3.22 -2.470610775e+00 -2.470610775e+00 3.24 -2.354111794e+00 -2.354111794e+00 3.26 -2.238714021e+00 -2.238714021e+00 3.28 -2.124676272e+00 -2.124676272e+00 3.30 -2.012280936e+00 -2.012280936e+00 3.32 -1.901826886e+00 -1.901826886e+00 3.34 -1.793621218e+00 -1.793621218e+00 3.36 -1.687971423e+00 -1.687971423e+00 3.38 -1.585179029e+00 -1.585179029e+00 3.40 -1.485535008e+00 -1.485535008e+00 3.42 -1.389316513e+00 -1.389316513e+00 3.44 -1.296784039e+00 -1.296784039e+00 3.46 -1.208178021e+00 -1.208178021e+00 3.48 -1.123714175e+00 -1.123714175e+00 3.50 -1.043577419e+00 -1.043577419e+00 3.52 -9.679148408e-01 -9.679148408e-01 3.54 -8.968286354e-01 -8.968286354e-01 3.56 -8.303701647e-01 -8.303701647e-01 3.58 -7.685361891e-01 -7.685361891e-01 3.60 -7.112679841e-01 -7.112679841e-01 3.62 -6.584535833e-01 -6.584535833e-01 3.64 -6.099329105e-01 -6.099329105e-01 3.66 -5.655051907e-01 -5.655051907e-01 3.68 -5.249378149e-01 -5.249378149e-01 3.70 -4.879757847e-01 -4.879757847e-01 3.72 -4.543509559e-01 -4.543509559e-01 3.74 -4.237904583e-01 -4.237904583e-01 3.76 -3.960237255e-01 -3.960237255e-01 3.78 -3.707888176e-01 -3.707888176e-01 3.80 -3.478364684e-01 -3.478364684e-01 3.82 -3.269329747e-01 -3.269329747e-01 3.84 -3.078620546e-01 -3.078620546e-01 3.86 -2.904256954e-01 -2.904256954e-01 3.88 -2.744442159e-01 -2.744442159e-01 3.90 -2.597557462e-01 -2.597557462e-01 3.92 -2.462153063e-01 -2.462153063e-01 3.94 -2.336936302e-01 -2.336936302e-01 3.96 -2.220758573e-01 -2.220758573e-01 3.98 -2.112601819e-01 -2.112601819e-01 4.00 -2.011565312e-01 -2.011565312e-01 4.02 -1.916853224e-01 -1.916853224e-01 4.04 -1.827763348e-01 -1.827763348e-01 4.06 -1.743677226e-01 -1.743677226e-01 4.08 -1.664051815e-01 -1.664051815e-01 4.10 -1.588412766e-01 -1.588412766e-01 4.12 -1.516349272e-01 -1.516349272e-01 4.14 -1.447510318e-01 -1.447510318e-01 4.16 -1.381602064e-01 -1.381602064e-01 4.18 -1.318385884e-01 -1.318385884e-01 4.20 -1.257676456e-01 -1.257676456e-01 4.22 -1.199339170e-01 -1.199339170e-01 4.24 -1.143286118e-01 -1.143286118e-01 4.26 -1.089470050e-01 -1.089470050e-01 4.28 -1.037876029e-01 -1.037876029e-01 4.30 -9.885109815e-02 -9.885109815e-02 4.32 -9.413918892e-02 -9.413918892e-02 4.34 -8.965338149e-02 -8.965338149e-02 4.36 -8.539382141e-02 -8.539382141e-02 4.38 -8.135852981e-02 -8.135852981e-02 4.40 -7.754322800e-02 -7.754322800e-02 4.42 -7.394086687e-02 -7.394086687e-02 4.44 -7.054180804e-02 -7.054180804e-02 4.46 -6.733425498e-02 -6.733425498e-02 4.48 -6.430481571e-02 -6.430481571e-02 4.50 -6.143909886e-02 -6.143909886e-02 4.52 -5.872226699e-02 -5.872226699e-02 4.54 -5.613950003e-02 -5.613950003e-02 4.56 -5.367634924e-02 -5.367634924e-02 4.58 -5.131898339e-02 -5.131898339e-02 4.60 -4.905434294e-02 -4.905434294e-02 4.62 -4.687022478e-02 -4.687022478e-02 4.64 -4.475532201e-02 -4.475532201e-02 4.66 -4.269924190e-02 -4.269924190e-02 4.68 -4.069252163e-02 -4.069252163e-02 4.70 -3.872665783e-02 -3.872665783e-02 4.72 -3.679416102e-02 -3.679416102e-02 4.74 -3.488864145e-02 -3.488864145e-02 4.76 -3.300492791e-02 -3.300492791e-02 4.78 -3.113921482e-02 -3.113921482e-02 4.80 -2.928922477e-02 -2.928922477e-02 4.82 -2.745437181e-02 -2.745437181e-02 4.84 -2.563589802e-02 -2.563589802e-02 4.86 -2.383695448e-02 -2.383695448e-02 4.88 -2.206259452e-02 -2.206259452e-02 4.90 -2.031965100e-02 -2.031965100e-02 4.92 -1.861647821e-02 -1.861647821e-02 4.94 -1.696255517e-02 -1.696255517e-02 4.96 -1.536768446e-02 -1.536768446e-02 4.98 -1.384178050e-02 -1.384178050e-02 5.00 -1.239453103e-02 -1.239453103e-02 5.02 -1.103435673e-02 -1.103435673e-02 5.04 -9.767913224e-03 -9.767913224e-03 5.06 -8.599747572e-03 -8.599747572e-03 5.08 -7.532135480e-03 -7.532135480e-03 5.10 -6.565099834e-03 -6.565099834e-03 5.12 -5.696587757e-03 -5.696587757e-03 5.14 -4.922766788e-03 -4.922766788e-03 5.16 -4.238393270e-03 -4.238393270e-03 5.18 -3.637207046e-03 -3.637207046e-03 5.20 -3.112313911e-03 -3.112313911e-03 5.22 -2.656527959e-03 -2.656527959e-03 5.24 -2.262657339e-03 -2.262657339e-03 5.26 -1.923726987e-03 -1.923726987e-03 5.28 -1.633139564e-03 -1.633139564e-03 5.30 -1.384780881e-03 -1.384780881e-03 5.32 -1.173078779e-03 -1.173078779e-03 5.34 -9.930252751e-04 -9.930252751e-04 5.36 -8.401713784e-04 -8.401713784e-04 5.38 -7.106028641e-04 -7.106028641e-04 5.40 -6.009038552e-04 -6.009038552e-04 5.42 -5.081135676e-04 -5.081135676e-04 5.44 -4.296802145e-04 -4.296802145e-04 5.46 -3.634148956e-04 -3.634148956e-04 5.48 -3.074473589e-04 -3.074473589e-04 5.50 -2.601847971e-04 -2.601847971e-04 5.52 -2.202743016e-04 -2.202743016e-04 5.54 -1.865692220e-04 -1.865692220e-04 5.56 -1.580994161e-04 -1.580994161e-04 5.58 -1.340452141e-04 -1.340452141e-04 5.60 -1.137148235e-04 -1.137148235e-04 5.62 -9.652485059e-05 -9.652485059e-05 5.64 -8.198360202e-05 -8.198360202e-05 5.66 -6.967683214e-05 -6.967683214e-05 5.68 -5.925562195e-05 -5.925562195e-05 5.70 -5.042610124e-05 -5.042610124e-05 5.72 -4.294075398e-05 -4.294075398e-05 5.74 -3.659107704e-05 -3.659107704e-05 5.76 -3.120139068e-05 -3.120139068e-05 5.78 -2.662362632e-05 -2.662362632e-05 5.80 -2.273294106e-05 -2.273294106e-05 5.82 -1.942403013e-05 -1.942403013e-05 5.84 -1.660802767e-05 -1.660802767e-05 5.86 -1.420990254e-05 -1.420990254e-05 5.88 -1.216627047e-05 -1.216627047e-05 5.90 -1.042355586e-05 -1.042355586e-05 5.92 -8.936447360e-06 -8.936447360e-06 5.94 -7.666599846e-06 -7.666599846e-06 5.96 -6.581543279e-06 -6.581543279e-06 5.98 -5.653765168e-06 -5.653765168e-06 6.00 -4.859938673e-06 -4.859938673e-06