# 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 = Al2PbW # 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 2.527925542e+02 2.527925542e+02 1.30 2.355615288e+02 2.355615288e+02 1.32 2.195287939e+02 2.195287939e+02 1.34 2.046129630e+02 2.046129630e+02 1.36 1.907411552e+02 1.907411552e+02 1.38 1.778442007e+02 1.778442007e+02 1.40 1.658536465e+02 1.658536465e+02 1.42 1.547012812e+02 1.547012812e+02 1.44 1.443204288e+02 1.443204288e+02 1.46 1.346477920e+02 1.346477920e+02 1.48 1.256250058e+02 1.256250058e+02 1.50 1.171994666e+02 1.171994666e+02 1.52 1.093243635e+02 1.093243635e+02 1.54 1.019581111e+02 1.019581111e+02 1.56 9.506353813e+01 9.506353813e+01 1.58 8.860710167e+01 8.860710167e+01 1.60 8.255826926e+01 8.255826926e+01 1.62 7.688912237e+01 7.688912237e+01 1.64 7.157414717e+01 7.157414717e+01 1.66 6.659013213e+01 6.659013213e+01 1.68 6.191603242e+01 6.191603242e+01 1.70 5.753295776e+01 5.753295776e+01 1.72 5.342388242e+01 5.342388242e+01 1.74 4.957248489e+01 4.957248489e+01 1.76 4.596433407e+01 4.596433407e+01 1.78 4.259031716e+01 4.259031716e+01 1.80 3.943633176e+01 3.943633176e+01 1.82 3.648965826e+01 3.648965826e+01 1.84 3.373957547e+01 3.373957547e+01 1.86 3.117316315e+01 3.117316315e+01 1.88 2.877830950e+01 2.877830950e+01 1.90 2.654371065e+01 2.654371065e+01 1.92 2.445878314e+01 2.445878314e+01 1.94 2.251357986e+01 2.251357986e+01 1.96 2.069873444e+01 2.069873444e+01 1.98 1.900543333e+01 1.900543333e+01 2.00 1.742539339e+01 1.742539339e+01 2.02 1.595083130e+01 1.595083130e+01 2.04 1.457441853e+01 1.457441853e+01 2.06 1.328923064e+01 1.328923064e+01 2.08 1.208870094e+01 1.208870094e+01 2.10 1.096659802e+01 1.096659802e+01 2.12 9.917031105e+00 9.917031105e+00 2.14 8.934487642e+00 8.934487642e+00 2.16 8.013889357e+00 8.013889357e+00 2.18 7.150646678e+00 7.150646678e+00 2.20 6.340687867e+00 6.340687867e+00 2.22 5.580454728e+00 5.580454728e+00 2.24 4.866860006e+00 4.866860006e+00 2.26 4.197218165e+00 4.197218165e+00 2.28 3.569160438e+00 3.569160438e+00 2.30 2.980560281e+00 2.980560281e+00 2.32 2.429482092e+00 2.429482092e+00 2.34 1.914160011e+00 1.914160011e+00 2.36 1.432793137e+00 1.432793137e+00 2.38 9.836565398e-01 9.836565398e-01 2.40 5.651030099e-01 5.651030099e-01 2.42 1.755518375e-01 1.755518375e-01 2.44 -1.865215689e-01 -1.865215689e-01 2.46 -5.225946922e-01 -5.225946922e-01 2.48 -8.341058953e-01 -8.341058953e-01 2.50 -1.122423995e+00 -1.122423995e+00 2.52 -1.388716769e+00 -1.388716769e+00 2.54 -1.634100352e+00 -1.634100352e+00 2.56 -1.859703200e+00 -1.859703200e+00 2.58 -2.066670914e+00 -2.066670914e+00 2.60 -2.256169371e+00 -2.256169371e+00 2.62 -2.429377323e+00 -2.429377323e+00 2.64 -2.587465464e+00 -2.587465464e+00 2.66 -2.731559795e+00 -2.731559795e+00 2.68 -2.862706005e+00 -2.862706005e+00 2.70 -2.981840915e+00 -2.981840915e+00 2.72 -3.089780390e+00 -3.089780390e+00 2.74 -3.187223398e+00 -3.187223398e+00 2.76 -3.274766916e+00 -3.274766916e+00 2.78 -3.352924735e+00 -3.352924735e+00 2.80 -3.422145502e+00 -3.422145502e+00 2.82 -3.482825831e+00 -3.482825831e+00 2.84 -3.535320676e+00 -3.535320676e+00 2.86 -3.579950534e+00 -3.579950534e+00 2.88 -3.617008046e+00 -3.617008046e+00 2.90 -3.646785440e+00 -3.646785440e+00 2.92 -3.670583648e+00 -3.670583648e+00 2.94 -3.688890562e+00 -3.688890562e+00 2.96 -3.701528219e+00 -3.701528219e+00 2.98 -3.708403433e+00 -3.708403433e+00 3.00 -3.709510403e+00 -3.709510403e+00 3.02 -3.704931451e+00 -3.704931451e+00 3.04 -3.694832634e+00 -3.694832634e+00 3.06 -3.679457994e+00 -3.679457994e+00 3.08 -3.659115040e+00 -3.659115040e+00 3.10 -3.634179124e+00 -3.634179124e+00 3.12 -3.605041976e+00 -3.605041976e+00 3.14 -3.572081458e+00 -3.572081458e+00 3.16 -3.535646128e+00 -3.535646128e+00 3.18 -3.496079088e+00 -3.496079088e+00 3.20 -3.453604460e+00 -3.453604460e+00 3.22 -3.408398211e+00 -3.408398211e+00 3.24 -3.360614687e+00 -3.360614687e+00 3.26 -3.310389568e+00 -3.310389568e+00 3.28 -3.257845663e+00 -3.257845663e+00 3.30 -3.203100585e+00 -3.203100585e+00 3.32 -3.146275353e+00 -3.146275353e+00 3.34 -3.087501134e+00 -3.087501134e+00 3.36 -3.026925073e+00 -3.026925073e+00 3.38 -2.964723809e+00 -2.964723809e+00 3.40 -2.901108097e+00 -2.901108097e+00 3.42 -2.836324548e+00 -2.836324548e+00 3.44 -2.770652508e+00 -2.770652508e+00 3.46 -2.704399122e+00 -2.704399122e+00 3.48 -2.637890427e+00 -2.637890427e+00 3.50 -2.571460234e+00 -2.571460234e+00 3.52 -2.505437731e+00 -2.505437731e+00 3.54 -2.440135080e+00 -2.440135080e+00 3.56 -2.375836260e+00 -2.375836260e+00 3.58 -2.312788199e+00 -2.312788199e+00 3.60 -2.251194869e+00 -2.251194869e+00 3.62 -2.191214553e+00 -2.191214553e+00 3.64 -2.132960135e+00 -2.132960135e+00 3.66 -2.076501872e+00 -2.076501872e+00 3.68 -2.021871959e+00 -2.021871959e+00 3.70 -1.969070125e+00 -1.969070125e+00 3.72 -1.918069543e+00 -1.918069543e+00 3.74 -1.868822515e+00 -1.868822515e+00 3.76 -1.821265559e+00 -1.821265559e+00 3.78 -1.775323731e+00 -1.775323731e+00 3.80 -1.730914167e+00 -1.730914167e+00 3.82 -1.687948938e+00 -1.687948938e+00 3.84 -1.646337344e+00 -1.646337344e+00 3.86 -1.605987785e+00 -1.605987785e+00 3.88 -1.566809300e+00 -1.566809300e+00 3.90 -1.528712827e+00 -1.528712827e+00 3.92 -1.491611737e+00 -1.491611737e+00 3.94 -1.455424567e+00 -1.455424567e+00 3.96 -1.420072449e+00 -1.420072449e+00 3.98 -1.385481617e+00 -1.385481617e+00 4.00 -1.351582994e+00 -1.351582994e+00 4.02 -1.318312258e+00 -1.318312258e+00 4.04 -1.285609882e+00 -1.285609882e+00 4.06 -1.253421235e+00 -1.253421235e+00 4.08 -1.221696812e+00 -1.221696812e+00 4.10 -1.190391552e+00 -1.190391552e+00 4.12 -1.159470084e+00 -1.159470084e+00 4.14 -1.128900393e+00 -1.128900393e+00 4.16 -1.098659957e+00 -1.098659957e+00 4.18 -1.068735577e+00 -1.068735577e+00 4.20 -1.039124492e+00 -1.039124492e+00 4.22 -1.009835251e+00 -1.009835251e+00 4.24 -9.808881054e-01 -9.808881054e-01 4.26 -9.523147186e-01 -9.523147186e-01 4.28 -9.241570186e-01 -9.241570186e-01 4.30 -8.964651154e-01 -8.964651154e-01 4.32 -8.692943440e-01 -8.692943440e-01 4.34 -8.427016350e-01 -8.427016350e-01 4.36 -8.167415452e-01 -8.167415452e-01 4.38 -7.914623579e-01 -7.914623579e-01 4.40 -7.669026692e-01 -7.669026692e-01 4.42 -7.430888028e-01 -7.430888028e-01 4.44 -7.200332667e-01 -7.200332667e-01 4.46 -6.977343026e-01 -6.977343026e-01 4.48 -6.761764328e-01 -6.761764328e-01 4.50 -6.553317992e-01 -6.553317992e-01 4.52 -6.351620304e-01 -6.351620304e-01 4.54 -6.156203726e-01 -6.156203726e-01 4.56 -5.966538587e-01 -5.966538587e-01 4.58 -5.782053462e-01 -5.782053462e-01 4.60 -5.602153298e-01 -5.602153298e-01 4.62 -5.426234893e-01 -5.426234893e-01 4.64 -5.253699876e-01 -5.253699876e-01 4.66 -5.083965625e-01 -5.083965625e-01 4.68 -4.916474774e-01 -4.916474774e-01 4.70 -4.750703987e-01 -4.750703987e-01 4.72 -4.586172636e-01 -4.586172636e-01 4.74 -4.422451897e-01 -4.422451897e-01 4.76 -4.259174580e-01 -4.259174580e-01 4.78 -4.096045758e-01 -4.096045758e-01 4.80 -3.932846845e-01 -3.932846845e-01 4.82 -3.769476571e-01 -3.769476571e-01 4.84 -3.605915148e-01 -3.605915148e-01 4.86 -3.442265214e-01 -3.442265214e-01 4.88 -3.278748872e-01 -3.278748872e-01 4.90 -3.115708684e-01 -3.115708684e-01 4.92 -2.953602943e-01 -2.953602943e-01 4.94 -2.792994363e-01 -2.792994363e-01 4.96 -2.634531917e-01 -2.634531917e-01 4.98 -2.478926272e-01 -2.478926272e-01 5.00 -2.326920090e-01 -2.326920090e-01 5.02 -2.179255205e-01 -2.179255205e-01 5.04 -2.036639204e-01 -2.036639204e-01 5.06 -1.899714130e-01 -1.899714130e-01 5.08 -1.769029861e-01 -1.769029861e-01 5.10 -1.645024155e-01 -1.645024155e-01 5.12 -1.528010541e-01 -1.528010541e-01 5.14 -1.418174361e-01 -1.418174361e-01 5.16 -1.315576362e-01 -1.315576362e-01 5.18 -1.220162582e-01 -1.220162582e-01 5.20 -1.131778858e-01 -1.131778858e-01 5.22 -1.050188105e-01 -1.050188105e-01 5.24 -9.750885927e-02 -9.750885927e-02 5.26 -9.061319394e-02 -9.061319394e-02 5.28 -8.429395722e-02 -8.429395722e-02 5.30 -7.851169350e-02 -7.851169350e-02 5.32 -7.322651996e-02 -7.322651996e-02 5.34 -6.839904768e-02 -6.839904768e-02 5.36 -6.399105895e-02 -6.399105895e-02 5.38 -5.996543461e-02 -5.996543461e-02 5.40 -5.628769168e-02 -5.628769168e-02 5.42 -5.292580892e-02 -5.292580892e-02 5.44 -4.984975921e-02 -4.984975921e-02 5.46 -4.703146704e-02 -4.703146704e-02 5.48 -4.444524206e-02 -4.444524206e-02 5.50 -4.206749889e-02 -4.206749889e-02 5.52 -3.987661516e-02 -3.987661516e-02 5.54 -3.785285526e-02 -3.785285526e-02 5.56 -3.597827441e-02 -3.597827441e-02 5.58 -3.423661115e-02 -3.423661115e-02 5.60 -3.261317399e-02 -3.261317399e-02 5.62 -3.109472615e-02 -3.109472615e-02 5.64 -2.966937035e-02 -2.966937035e-02 5.66 -2.832643904e-02 -2.832643904e-02 5.68 -2.705638945e-02 -2.705638945e-02 5.70 -2.585070553e-02 -2.585070553e-02 5.72 -2.470180792e-02 -2.470180792e-02 5.74 -2.360297269e-02 -2.360297269e-02 5.76 -2.254825923e-02 -2.254825923e-02 5.78 -2.153244734e-02 -2.153244734e-02 5.80 -2.055098336e-02 -2.055098336e-02 5.82 -1.959993466e-02 -1.959993466e-02 5.84 -1.867595171e-02 -1.867595171e-02 5.86 -1.777623666e-02 -1.777623666e-02 5.88 -1.689851677e-02 -1.689851677e-02 5.90 -1.604102137e-02 -1.604102137e-02 5.92 -1.520246013e-02 -1.520246013e-02 5.94 -1.438198371e-02 -1.438198371e-02 5.96 -1.357909707e-02 -1.357909707e-02 5.98 -1.279381414e-02 -1.279381414e-02 6.00 -1.202653647e-02 -1.202653647e-02