# 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 = Co2CuFe # 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 1.349661823e+02 1.349661823e+02 1.30 1.232707179e+02 1.232707179e+02 1.32 1.125447360e+02 1.125447360e+02 1.34 1.027007458e+02 1.027007458e+02 1.36 9.366182979e+01 9.366182979e+01 1.38 8.536061575e+01 8.536061575e+01 1.40 7.773730789e+01 7.773730789e+01 1.42 7.073781983e+01 7.073781983e+01 1.44 6.431222452e+01 6.431222452e+01 1.46 5.841387009e+01 5.841387009e+01 1.48 5.299943979e+01 5.299943979e+01 1.50 4.802941802e+01 4.802941802e+01 1.52 4.346809982e+01 4.346809982e+01 1.54 3.928300612e+01 3.928300612e+01 1.56 3.544420569e+01 3.544420569e+01 1.58 3.192390289e+01 3.192390289e+01 1.60 2.869661523e+01 2.869661523e+01 1.62 2.574009472e+01 2.574009472e+01 1.64 2.303230840e+01 2.303230840e+01 1.66 2.055268812e+01 2.055268812e+01 1.68 1.828217472e+01 1.828217472e+01 1.70 1.620322709e+01 1.620322709e+01 1.72 1.429978440e+01 1.429978440e+01 1.74 1.255711995e+01 1.255711995e+01 1.76 1.096171186e+01 1.096171186e+01 1.78 9.501239969e+00 9.501239969e+00 1.80 8.164654705e+00 8.164654705e+00 1.82 6.942174768e+00 6.942174768e+00 1.84 5.825137371e+00 5.825137371e+00 1.86 4.805744254e+00 4.805744254e+00 1.88 3.876795107e+00 3.876795107e+00 1.90 3.031473630e+00 3.031473630e+00 1.92 2.263216112e+00 2.263216112e+00 1.94 1.565673693e+00 1.565673693e+00 1.96 9.327594630e-01 9.327594630e-01 1.98 3.587459370e-01 3.587459370e-01 2.00 -1.616330029e-01 -1.616330029e-01 2.02 -6.331143300e-01 -6.331143300e-01 2.04 -1.059895383e+00 -1.059895383e+00 2.06 -1.445680123e+00 -1.445680123e+00 2.08 -1.793757955e+00 -1.793757955e+00 2.10 -2.107085868e+00 -2.107085868e+00 2.12 -2.388356850e+00 -2.388356850e+00 2.14 -2.640050211e+00 -2.640050211e+00 2.16 -2.864464817e+00 -2.864464817e+00 2.18 -3.063738502e+00 -3.063738502e+00 2.20 -3.239859493e+00 -3.239859493e+00 2.22 -3.394676669e+00 -3.394676669e+00 2.24 -3.529912937e+00 -3.529912937e+00 2.26 -3.647181800e+00 -3.647181800e+00 2.28 -3.748004292e+00 -3.748004292e+00 2.30 -3.833821598e+00 -3.833821598e+00 2.32 -3.905997956e+00 -3.905997956e+00 2.34 -3.965880443e+00 -3.965880443e+00 2.36 -4.014657646e+00 -4.014657646e+00 2.38 -4.053242191e+00 -4.053242191e+00 2.40 -4.082453297e+00 -4.082453297e+00 2.42 -4.103019444e+00 -4.103019444e+00 2.44 -4.115593223e+00 -4.115593223e+00 2.46 -4.120773564e+00 -4.120773564e+00 2.48 -4.119198637e+00 -4.119198637e+00 2.50 -4.111426034e+00 -4.111426034e+00 2.52 -4.097505746e+00 -4.097505746e+00 2.54 -4.077562656e+00 -4.077562656e+00 2.56 -4.051821475e+00 -4.051821475e+00 2.58 -4.020588294e+00 -4.020588294e+00 2.60 -3.984228868e+00 -3.984228868e+00 2.62 -3.943151120e+00 -3.943151120e+00 2.64 -3.897798512e+00 -3.897798512e+00 2.66 -3.848491822e+00 -3.848491822e+00 2.68 -3.795484484e+00 -3.795484484e+00 2.70 -3.739034923e+00 -3.739034923e+00 2.72 -3.679408683e+00 -3.679408683e+00 2.74 -3.616880382e+00 -3.616880382e+00 2.76 -3.551732823e+00 -3.551732823e+00 2.78 -3.484252957e+00 -3.484252957e+00 2.80 -3.414726573e+00 -3.414726573e+00 2.82 -3.343433750e+00 -3.343433750e+00 2.84 -3.270645918e+00 -3.270645918e+00 2.86 -3.196624146e+00 -3.196624146e+00 2.88 -3.121617798e+00 -3.121617798e+00 2.90 -3.045863117e+00 -3.045863117e+00 2.92 -2.969582002e+00 -2.969582002e+00 2.94 -2.892981719e+00 -2.892981719e+00 2.96 -2.816256159e+00 -2.816256159e+00 2.98 -2.739588486e+00 -2.739588486e+00 3.00 -2.663154157e+00 -2.663154157e+00 3.02 -2.587122583e+00 -2.587122583e+00 3.04 -2.511655946e+00 -2.511655946e+00 3.06 -2.436904773e+00 -2.436904773e+00 3.08 -2.363001598e+00 -2.363001598e+00 3.10 -2.290055315e+00 -2.290055315e+00 3.12 -2.218148882e+00 -2.218148882e+00 3.14 -2.147341787e+00 -2.147341787e+00 3.16 -2.077676793e+00 -2.077676793e+00 3.18 -2.009189073e+00 -2.009189073e+00 3.20 -1.941915336e+00 -1.941915336e+00 3.22 -1.875900997e+00 -1.875900997e+00 3.24 -1.811204199e+00 -1.811204199e+00 3.26 -1.747896411e+00 -1.747896411e+00 3.28 -1.686059901e+00 -1.686059901e+00 3.30 -1.625782844e+00 -1.625782844e+00 3.32 -1.567153028e+00 -1.567153028e+00 3.34 -1.510251184e+00 -1.510251184e+00 3.36 -1.455144882e+00 -1.455144882e+00 3.38 -1.401883733e+00 -1.401883733e+00 3.40 -1.350496347e+00 -1.350496347e+00 3.42 -1.300989178e+00 -1.300989178e+00 3.44 -1.253347115e+00 -1.253347115e+00 3.46 -1.207535466e+00 -1.207535466e+00 3.48 -1.163502883e+00 -1.163502883e+00 3.50 -1.121184772e+00 -1.121184772e+00 3.52 -1.080506786e+00 -1.080506786e+00 3.54 -1.041388125e+00 -1.041388125e+00 3.56 -1.003744448e+00 -1.003744448e+00 3.58 -9.674903560e-01 -9.674903560e-01 3.60 -9.325414345e-01 -9.325414345e-01 3.62 -8.988159301e-01 -8.988159301e-01 3.64 -8.662361560e-01 -8.662361560e-01 3.66 -8.347297072e-01 -8.347297072e-01 3.68 -8.042305595e-01 -8.042305595e-01 3.70 -7.746800796e-01 -7.746800796e-01 3.72 -7.460279293e-01 -7.460279293e-01 3.74 -7.182327918e-01 -7.182327918e-01 3.76 -6.912628042e-01 -6.912628042e-01 3.78 -6.650955520e-01 -6.650955520e-01 3.80 -6.397174892e-01 -6.397174892e-01 3.82 -6.151226962e-01 -6.151226962e-01 3.84 -5.913109766e-01 -5.913109766e-01 3.86 -5.682854141e-01 -5.682854141e-01 3.88 -5.460496289e-01 -5.460496289e-01 3.90 -5.246050516e-01 -5.246050516e-01 3.92 -5.039485523e-01 -5.039485523e-01 3.94 -4.840707051e-01 -4.840707051e-01 3.96 -4.649548481e-01 -4.649548481e-01 3.98 -4.465769655e-01 -4.465769655e-01 4.00 -4.289062863e-01 -4.289062863e-01 4.02 -4.119064166e-01 -4.119064166e-01 4.04 -3.955367946e-01 -3.955367946e-01 4.06 -3.797542759e-01 -3.797542759e-01 4.08 -3.645147078e-01 -3.645147078e-01 4.10 -3.497744055e-01 -3.497744055e-01 4.12 -3.354914938e-01 -3.354914938e-01 4.14 -3.216271072e-01 -3.216271072e-01 4.16 -3.081464547e-01 -3.081464547e-01 4.18 -2.950197433e-01 -2.950197433e-01 4.20 -2.822229374e-01 -2.822229374e-01 4.22 -2.697383067e-01 -2.697383067e-01 4.24 -2.575547000e-01 -2.575547000e-01 4.26 -2.456674824e-01 -2.456674824e-01 4.28 -2.340780997e-01 -2.340780997e-01 4.30 -2.227932770e-01 -2.227932770e-01 4.32 -2.118239151e-01 -2.118239151e-01 4.34 -2.011837952e-01 -2.011837952e-01 4.36 -1.908882286e-01 -1.908882286e-01 4.38 -1.809527719e-01 -1.809527719e-01 4.40 -1.713920955e-01 -1.713920955e-01 4.42 -1.622190359e-01 -1.622190359e-01 4.44 -1.534438231e-01 -1.534438231e-01 4.46 -1.450734520e-01 -1.450734520e-01 4.48 -1.371111770e-01 -1.371111770e-01 4.50 -1.295561257e-01 -1.295561257e-01 4.52 -1.224030548e-01 -1.224030548e-01 4.54 -1.156422823e-01 -1.156422823e-01 4.56 -1.092598182e-01 -1.092598182e-01 4.58 -1.032377092e-01 -1.032377092e-01 4.60 -9.755457452e-02 -9.755457452e-02 4.62 -9.218629371e-02 -9.218629371e-02 4.64 -8.710650985e-02 -8.710650985e-02 4.66 -8.228805922e-02 -8.228805922e-02 4.68 -7.770370417e-02 -7.770370417e-02 4.70 -7.332657912e-02 -7.332657912e-02 4.72 -6.913097439e-02 -6.913097439e-02 4.74 -6.509303809e-02 -6.509303809e-02 4.76 -6.119139980e-02 -6.119139980e-02 4.78 -5.740772047e-02 -5.740772047e-02 4.80 -5.372716731e-02 -5.372716731e-02 4.82 -5.013880276e-02 -5.013880276e-02 4.84 -4.663586295e-02 -4.663586295e-02 4.86 -4.321589288e-02 -4.321589288e-02 4.88 -3.988069653e-02 -3.988069653e-02 4.90 -3.663606414e-02 -3.663606414e-02 4.92 -3.349125176e-02 -3.349125176e-02 4.94 -3.045821316e-02 -3.045821316e-02 4.96 -2.755061816e-02 -2.755061816e-02 4.98 -2.478272366e-02 -2.478272366e-02 5.00 -2.216819954e-02 -2.216819954e-02 5.02 -1.971902489e-02 -1.971902489e-02 5.04 -1.744456233e-02 -1.744456233e-02 5.06 -1.535089870e-02 -1.535089870e-02 5.08 -1.344020806e-02 -1.344020806e-02 5.10 -1.171111356e-02 -1.171111356e-02 5.12 -1.015939974e-02 -1.015939974e-02 5.14 -8.777786471e-03 -8.777786471e-03 5.16 -7.556563902e-03 -7.556563902e-03 5.18 -6.484285288e-03 -6.484285288e-03 5.20 -5.548438745e-03 -5.548438745e-03 5.22 -4.736047761e-03 -4.736047761e-03 5.24 -4.034171072e-03 -4.034171072e-03 5.26 -3.430290701e-03 -3.430290701e-03 5.28 -2.912590662e-03 -2.912590662e-03 5.30 -2.470137784e-03 -2.470137784e-03 5.32 -2.092980729e-03 -2.092980729e-03 5.34 -1.772184693e-03 -1.772184693e-03 5.36 -1.499818478e-03 -1.499818478e-03 5.38 -1.268908554e-03 -1.268908554e-03 5.40 -1.073372155e-03 -1.073372155e-03 5.42 -9.079388105e-04 -9.079388105e-04 5.44 -7.680672693e-04 -7.680672693e-04 5.46 -6.498627497e-04 -6.498627497e-04 5.48 -5.499977694e-04 -5.499977694e-04 5.50 -4.656385528e-04 -4.656385528e-04 5.52 -3.943780703e-04 -3.943780703e-04 5.54 -3.341761069e-04 -3.341761069e-04 5.56 -2.833063051e-04 -2.833063051e-04 5.58 -2.403098482e-04 -2.403098482e-04 5.60 -2.039552804e-04 -2.039552804e-04 5.62 -1.732038832e-04 -1.732038832e-04 5.64 -1.471799970e-04 -1.471799970e-04 5.66 -1.251456945e-04 -1.251456945e-04 5.68 -1.064792430e-04 -1.064792430e-04 5.70 -9.065684151e-05 -9.065684151e-05 5.72 -7.723717104e-05 -7.723717104e-05 5.74 -6.584834786e-05 -6.584834786e-05 5.76 -5.617692273e-05 -5.617692273e-05 5.78 -4.795861534e-05 -4.795861534e-05 5.80 -4.097051700e-05 -4.097051700e-05 5.82 -3.502453298e-05 -3.502453298e-05 5.84 -2.996186958e-05 -2.996186958e-05 5.86 -2.564840078e-05 -2.564840078e-05 5.88 -2.197077440e-05 -2.197077440e-05 5.90 -1.883313982e-05 -1.883313982e-05 5.92 -1.615439763e-05 -1.615439763e-05 5.94 -1.386588747e-05 -1.386588747e-05 5.96 -1.190944370e-05 -1.190944370e-05 5.98 -1.023575991e-05 -1.023575991e-05 6.00 -8.803012500e-06 -8.803012500e-06