# 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 = Mo2NiZr # 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 2.678390074e+02 2.678390074e+02 1.30 2.477812879e+02 2.477812879e+02 1.32 2.292435237e+02 2.292435237e+02 1.34 2.120933653e+02 2.120933653e+02 1.36 1.962094089e+02 1.962094089e+02 1.38 1.814823107e+02 1.814823107e+02 1.40 1.678149741e+02 1.678149741e+02 1.42 1.551214893e+02 1.551214893e+02 1.44 1.433255340e+02 1.433255340e+02 1.46 1.323589761e+02 1.323589761e+02 1.48 1.221608624e+02 1.221608624e+02 1.50 1.126765544e+02 1.126765544e+02 1.52 1.038569788e+02 1.038569788e+02 1.54 9.565796656e+01 9.565796656e+01 1.56 8.803963401e+01 8.803963401e+01 1.58 8.096565191e+01 8.096565191e+01 1.60 7.440234799e+01 7.440234799e+01 1.62 6.831776587e+01 6.831776587e+01 1.64 6.268092196e+01 6.268092196e+01 1.66 5.746138460e+01 5.746138460e+01 1.68 5.262921300e+01 5.262921300e+01 1.70 4.815524435e+01 4.815524435e+01 1.72 4.401146601e+01 4.401146601e+01 1.74 4.017136105e+01 4.017136105e+01 1.76 3.661014063e+01 3.661014063e+01 1.78 3.330490694e+01 3.330490694e+01 1.80 3.023473717e+01 3.023473717e+01 1.82 2.738073067e+01 2.738073067e+01 1.84 2.472596907e+01 2.472596907e+01 1.86 2.225593922e+01 2.225593922e+01 1.88 1.995872577e+01 1.995872577e+01 1.90 1.782631435e+01 1.782631435e+01 1.92 1.584850585e+01 1.584850585e+01 1.94 1.401573886e+01 1.401573886e+01 1.96 1.231912046e+01 1.231912046e+01 1.98 1.075020276e+01 1.075020276e+01 2.00 9.300861857e+00 9.300861857e+00 2.02 7.963228425e+00 7.963228425e+00 2.04 6.729641429e+00 6.729641429e+00 2.06 5.592616579e+00 5.592616579e+00 2.08 4.544837128e+00 4.544837128e+00 2.10 3.579196891e+00 3.579196891e+00 2.12 2.688893617e+00 2.688893617e+00 2.14 1.867554589e+00 1.867554589e+00 2.16 1.109367588e+00 1.109367588e+00 2.18 4.091565650e-01 4.091565650e-01 2.20 -2.376093516e-01 -2.376093516e-01 2.22 -8.348860487e-01 -8.348860487e-01 2.24 -1.386153670e+00 -1.386153670e+00 2.26 -1.894515503e+00 -1.894515503e+00 2.28 -2.362789764e+00 -2.362789764e+00 2.30 -2.793555591e+00 -2.793555591e+00 2.32 -3.189225195e+00 -3.189225195e+00 2.34 -3.552056005e+00 -3.552056005e+00 2.36 -3.884184923e+00 -3.884184923e+00 2.38 -4.187628217e+00 -4.187628217e+00 2.40 -4.464277564e+00 -4.464277564e+00 2.42 -4.715902090e+00 -4.715902090e+00 2.44 -4.944150189e+00 -4.944150189e+00 2.46 -5.150562667e+00 -5.150562667e+00 2.48 -5.336578530e+00 -5.336578530e+00 2.50 -5.503534569e+00 -5.503534569e+00 2.52 -5.652658884e+00 -5.652658884e+00 2.54 -5.785062485e+00 -5.785062485e+00 2.56 -5.901733998e+00 -5.901733998e+00 2.58 -6.003541987e+00 -6.003541987e+00 2.60 -6.091247556e+00 -6.091247556e+00 2.62 -6.165524279e+00 -6.165524279e+00 2.64 -6.226998333e+00 -6.226998333e+00 2.66 -6.276313539e+00 -6.276313539e+00 2.68 -6.314029680e+00 -6.314029680e+00 2.70 -6.340678255e+00 -6.340678255e+00 2.72 -6.356604798e+00 -6.356604798e+00 2.74 -6.362518680e+00 -6.362518680e+00 2.76 -6.359284147e+00 -6.359284147e+00 2.78 -6.347746474e+00 -6.347746474e+00 2.80 -6.328727132e+00 -6.328727132e+00 2.82 -6.302979249e+00 -6.302979249e+00 2.84 -6.271107090e+00 -6.271107090e+00 2.86 -6.233668751e+00 -6.233668751e+00 2.88 -6.190999925e+00 -6.190999925e+00 2.90 -6.143058190e+00 -6.143058190e+00 2.92 -6.089835763e+00 -6.089835763e+00 2.94 -6.031406960e+00 -6.031406960e+00 2.96 -5.967921506e+00 -5.967921506e+00 2.98 -5.899594034e+00 -5.899594034e+00 3.00 -5.826688866e+00 -5.826688866e+00 3.02 -5.749450685e+00 -5.749450685e+00 3.04 -5.668060788e+00 -5.668060788e+00 3.06 -5.582711983e+00 -5.582711983e+00 3.08 -5.493587787e+00 -5.493587787e+00 3.10 -5.400857503e+00 -5.400857503e+00 3.12 -5.304664140e+00 -5.304664140e+00 3.14 -5.205135486e+00 -5.205135486e+00 3.16 -5.102367858e+00 -5.102367858e+00 3.18 -4.996447173e+00 -4.996447173e+00 3.20 -4.887454796e+00 -4.887454796e+00 3.22 -4.775479058e+00 -4.775479058e+00 3.24 -4.660627992e+00 -4.660627992e+00 3.26 -4.543042400e+00 -4.543042400e+00 3.28 -4.422907927e+00 -4.422907927e+00 3.30 -4.300464587e+00 -4.300464587e+00 3.32 -4.176012443e+00 -4.176012443e+00 3.34 -4.049912966e+00 -4.049912966e+00 3.36 -3.922586513e+00 -3.922586513e+00 3.38 -3.794506968e+00 -3.794506968e+00 3.40 -3.666193316e+00 -3.666193316e+00 3.42 -3.538204727e+00 -3.538204727e+00 3.44 -3.411121964e+00 -3.411121964e+00 3.46 -3.285537509e+00 -3.285537509e+00 3.48 -3.162036340e+00 -3.162036340e+00 3.50 -3.041175741e+00 -3.041175741e+00 3.52 -2.923464615e+00 -2.923464615e+00 3.54 -2.809344535e+00 -2.809344535e+00 3.56 -2.699174664e+00 -2.699174664e+00 3.58 -2.593222098e+00 -2.593222098e+00 3.60 -2.491658347e+00 -2.491658347e+00 3.62 -2.394561814e+00 -2.394561814e+00 3.64 -2.301925452e+00 -2.301925452e+00 3.66 -2.213668326e+00 -2.213668326e+00 3.68 -2.129649701e+00 -2.129649701e+00 3.70 -2.049684291e+00 -2.049684291e+00 3.72 -1.973557553e+00 -1.973557553e+00 3.74 -1.901040118e+00 -1.901040118e+00 3.76 -1.831900697e+00 -1.831900697e+00 3.78 -1.765916954e+00 -1.765916954e+00 3.80 -1.702883943e+00 -1.702883943e+00 3.82 -1.642619759e+00 -1.642619759e+00 3.84 -1.584968183e+00 -1.584968183e+00 3.86 -1.529798262e+00 -1.529798262e+00 3.88 -1.477001084e+00 -1.477001084e+00 3.90 -1.426484356e+00 -1.426484356e+00 3.92 -1.378164271e+00 -1.378164271e+00 3.94 -1.331965202e+00 -1.331965202e+00 3.96 -1.287804021e+00 -1.287804021e+00 3.98 -1.245593456e+00 -1.245593456e+00 4.00 -1.205238593e+00 -1.205238593e+00 4.02 -1.166637278e+00 -1.166637278e+00 4.04 -1.129681990e+00 -1.129681990e+00 4.06 -1.094262533e+00 -1.094262533e+00 4.08 -1.060268919e+00 -1.060268919e+00 4.10 -1.027588680e+00 -1.027588680e+00 4.12 -9.961311634e-01 -9.961311634e-01 4.14 -9.657938887e-01 -9.657938887e-01 4.16 -9.364881125e-01 -9.364881125e-01 4.18 -9.081324601e-01 -9.081324601e-01 4.20 -8.806531396e-01 -8.806531396e-01 4.22 -8.539842100e-01 -8.539842100e-01 4.24 -8.280667140e-01 -8.280667140e-01 4.26 -8.028485280e-01 -8.028485280e-01 4.28 -7.782842581e-01 -7.782842581e-01 4.30 -7.543351991e-01 -7.543351991e-01 4.32 -7.309693677e-01 -7.309693677e-01 4.34 -7.081615796e-01 -7.081615796e-01 4.36 -6.858935183e-01 -6.858935183e-01 4.38 -6.641537138e-01 -6.641537138e-01 4.40 -6.429373455e-01 -6.429373455e-01 4.42 -6.222457799e-01 -6.222457799e-01 4.44 -6.020857828e-01 -6.020857828e-01 4.46 -5.824683791e-01 -5.824683791e-01 4.48 -5.634073936e-01 -5.634073936e-01 4.50 -5.449177612e-01 -5.449177612e-01 4.52 -5.270137489e-01 -5.270137489e-01 4.54 -5.097072615e-01 -5.097072615e-01 4.56 -4.930064007e-01 -4.930064007e-01 4.58 -4.769144167e-01 -4.769144167e-01 4.60 -4.614291321e-01 -4.614291321e-01 4.62 -4.465428504e-01 -4.465428504e-01 4.64 -4.322426986e-01 -4.322426986e-01 4.66 -4.185113050e-01 -4.185113050e-01 4.68 -4.053276916e-01 -4.053276916e-01 4.70 -3.926682591e-01 -3.926682591e-01 4.72 -3.805077595e-01 -3.805077595e-01 4.74 -3.688201796e-01 -3.688201796e-01 4.76 -3.575794879e-01 -3.575794879e-01 4.78 -3.467602218e-01 -3.467602218e-01 4.80 -3.363347416e-01 -3.363347416e-01 4.82 -3.262867639e-01 -3.262867639e-01 4.84 -3.165907467e-01 -3.165907467e-01 4.86 -3.072264922e-01 -3.072264922e-01 4.88 -2.981753061e-01 -2.981753061e-01 4.90 -2.894199397e-01 -2.894199397e-01 4.92 -2.809444968e-01 -2.809444968e-01 4.94 -2.727343211e-01 -2.727343211e-01 4.96 -2.647758754e-01 -2.647758754e-01 4.98 -2.570566194e-01 -2.570566194e-01 5.00 -2.495648919e-01 -2.495648919e-01 5.02 -2.422898023e-01 -2.422898023e-01 5.04 -2.352211315e-01 -2.352211315e-01 5.06 -2.283492462e-01 -2.283492462e-01 5.08 -2.216650259e-01 -2.216650259e-01 5.10 -2.151598035e-01 -2.151598035e-01 5.12 -2.088253212e-01 -2.088253212e-01 5.14 -2.026537011e-01 -2.026537011e-01 5.16 -1.966374308e-01 -1.966374308e-01 5.18 -1.907693663e-01 -1.907693663e-01 5.20 -1.850427505e-01 -1.850427505e-01 5.22 -1.794512486e-01 -1.794512486e-01 5.24 -1.739889994e-01 -1.739889994e-01 5.26 -1.686506812e-01 -1.686506812e-01 5.28 -1.634315892e-01 -1.634315892e-01 5.30 -1.583277192e-01 -1.583277192e-01 5.32 -1.533358521e-01 -1.533358521e-01 5.34 -1.484536305e-01 -1.484536305e-01 5.36 -1.436796149e-01 -1.436796149e-01 5.38 -1.390133117e-01 -1.390133117e-01 5.40 -1.344551577e-01 -1.344551577e-01 5.42 -1.300064549e-01 -1.300064549e-01 5.44 -1.256692481e-01 -1.256692481e-01 5.46 -1.214461457e-01 -1.214461457e-01 5.48 -1.173400906e-01 -1.173400906e-01 5.50 -1.133540945e-01 -1.133540945e-01 5.52 -1.094909563e-01 -1.094909563e-01 5.54 -1.057529876e-01 -1.057529876e-01 5.56 -1.021417688e-01 -1.021417688e-01 5.58 -9.865795703e-02 -9.865795703e-02 5.60 -9.530105822e-02 -9.530105822e-02 5.62 -9.206952505e-02 -9.206952505e-02 5.64 -8.896086853e-02 -8.896086853e-02 5.66 -8.597155398e-02 -8.597155398e-02 5.68 -8.309713053e-02 -8.309713053e-02 5.70 -8.033239084e-02 -8.033239084e-02 5.72 -7.767154357e-02 -7.767154357e-02 5.74 -7.510838387e-02 -7.510838387e-02 5.76 -7.263645085e-02 -7.263645085e-02 5.78 -7.024916496e-02 -7.024916496e-02 5.80 -6.793994162e-02 -6.793994162e-02 5.82 -6.570228088e-02 -6.570228088e-02 5.84 -6.352983470e-02 -6.352983470e-02 5.86 -6.141645523e-02 -6.141645523e-02 5.88 -5.935622814e-02 -5.935622814e-02 5.90 -5.734349537e-02 -5.734349537e-02 5.92 -5.537287149e-02 -5.537287149e-02 5.94 -5.343925771e-02 -5.343925771e-02 5.96 -5.153785683e-02 -5.153785683e-02 5.98 -4.966419210e-02 -4.966419210e-02 6.00 -4.781413378e-02 -4.781413378e-02