# 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 = AgCoPt2 # 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 3.004717331e+02 3.004717331e+02 1.30 2.793908753e+02 2.793908753e+02 1.32 2.597414150e+02 2.597414150e+02 1.34 2.414182771e+02 2.414182771e+02 1.36 2.243261289e+02 2.243261289e+02 1.38 2.083758775e+02 2.083758775e+02 1.40 1.934844118e+02 1.934844118e+02 1.42 1.795763033e+02 1.795763033e+02 1.44 1.665831879e+02 1.665831879e+02 1.46 1.544419930e+02 1.544419930e+02 1.48 1.430946470e+02 1.430946470e+02 1.50 1.324877064e+02 1.324877064e+02 1.52 1.225702990e+02 1.225702990e+02 1.54 1.132919714e+02 1.132919714e+02 1.56 1.046023304e+02 1.046023304e+02 1.58 9.645228796e+01 9.645228796e+01 1.60 8.879561312e+01 8.879561312e+01 1.62 8.159012858e+01 8.159012858e+01 1.64 7.479870886e+01 7.479870886e+01 1.66 6.839015409e+01 6.839015409e+01 1.68 6.233951344e+01 6.233951344e+01 1.70 5.662742971e+01 5.662742971e+01 1.72 5.125490558e+01 5.125490558e+01 1.74 4.630932518e+01 4.630932518e+01 1.76 4.177824343e+01 4.177824343e+01 1.78 3.762789534e+01 3.762789534e+01 1.80 3.382492129e+01 3.382492129e+01 1.82 3.033823800e+01 3.033823800e+01 1.84 2.714052747e+01 2.714052747e+01 1.86 2.420866704e+01 2.420866704e+01 1.88 2.152305990e+01 2.152305990e+01 1.90 1.906626796e+01 1.906626796e+01 1.92 1.682162321e+01 1.682162321e+01 1.94 1.477246964e+01 1.477246964e+01 1.96 1.290225125e+01 1.290225125e+01 1.98 1.119510775e+01 1.119510775e+01 2.00 9.636441079e+00 9.636441079e+00 2.02 8.213153462e+00 8.213153462e+00 2.04 6.913589262e+00 6.913589262e+00 2.06 5.727347225e+00 5.727347225e+00 2.08 4.645079587e+00 4.645079587e+00 2.10 3.658313030e+00 3.658313030e+00 2.12 2.759296101e+00 2.759296101e+00 2.14 1.940883749e+00 1.940883749e+00 2.16 1.196472809e+00 1.196472809e+00 2.18 5.199867668e-01 5.199867668e-01 2.20 -9.411247089e-02 -9.411247089e-02 2.22 -6.508147329e-01 -6.508147329e-01 2.24 -1.154572392e+00 -1.154572392e+00 2.26 -1.609335147e+00 -1.609335147e+00 2.28 -2.018602746e+00 -2.018602746e+00 2.30 -2.385488073e+00 -2.385488073e+00 2.32 -2.712785369e+00 -2.712785369e+00 2.34 -3.003040455e+00 -3.003040455e+00 2.36 -3.258620635e+00 -3.258620635e+00 2.38 -3.481781164e+00 -3.481781164e+00 2.40 -3.674723903e+00 -3.674723903e+00 2.42 -3.839642718e+00 -3.839642718e+00 2.44 -3.978750833e+00 -3.978750833e+00 2.46 -4.095739688e+00 -4.095739688e+00 2.48 -4.194428246e+00 -4.194428246e+00 2.50 -4.276239012e+00 -4.276239012e+00 2.52 -4.342686414e+00 -4.342686414e+00 2.54 -4.395345548e+00 -4.395345548e+00 2.56 -4.435784303e+00 -4.435784303e+00 2.58 -4.465486763e+00 -4.465486763e+00 2.60 -4.485782411e+00 -4.485782411e+00 2.62 -4.497831932e+00 -4.497831932e+00 2.64 -4.502522057e+00 -4.502522057e+00 2.66 -4.500492680e+00 -4.500492680e+00 2.68 -4.492209438e+00 -4.492209438e+00 2.70 -4.478001225e+00 -4.478001225e+00 2.72 -4.458099986e+00 -4.458099986e+00 2.74 -4.432676066e+00 -4.432676066e+00 2.76 -4.401865853e+00 -4.401865853e+00 2.78 -4.365791463e+00 -4.365791463e+00 2.80 -4.324562624e+00 -4.324562624e+00 2.82 -4.278272117e+00 -4.278272117e+00 2.84 -4.227039987e+00 -4.227039987e+00 2.86 -4.171031506e+00 -4.171031506e+00 2.88 -4.110473199e+00 -4.110473199e+00 2.90 -4.045671053e+00 -4.045671053e+00 2.92 -3.977026971e+00 -3.977026971e+00 2.94 -3.905047700e+00 -3.905047700e+00 2.96 -3.830340144e+00 -3.830340144e+00 2.98 -3.753601771e+00 -3.753601771e+00 3.00 -3.675623245e+00 -3.675623245e+00 3.02 -3.597071465e+00 -3.597071465e+00 3.04 -3.518537852e+00 -3.518537852e+00 3.06 -3.440517813e+00 -3.440517813e+00 3.08 -3.363384685e+00 -3.363384685e+00 3.10 -3.287383274e+00 -3.287383274e+00 3.12 -3.212640141e+00 -3.212640141e+00 3.14 -3.139184926e+00 -3.139184926e+00 3.16 -3.066976328e+00 -3.066976328e+00 3.18 -2.995928041e+00 -2.995928041e+00 3.20 -2.925933532e+00 -2.925933532e+00 3.22 -2.856881051e+00 -2.856881051e+00 3.24 -2.788663715e+00 -2.788663715e+00 3.26 -2.721229237e+00 -2.721229237e+00 3.28 -2.654622699e+00 -2.654622699e+00 3.30 -2.588891049e+00 -2.588891049e+00 3.32 -2.524075292e+00 -2.524075292e+00 3.34 -2.460214936e+00 -2.460214936e+00 3.36 -2.397350300e+00 -2.397350300e+00 3.38 -2.335523279e+00 -2.335523279e+00 3.40 -2.274776999e+00 -2.274776999e+00 3.42 -2.215154769e+00 -2.215154769e+00 3.44 -2.156698589e+00 -2.156698589e+00 3.46 -2.099447523e+00 -2.099447523e+00 3.48 -2.043436105e+00 -2.043436105e+00 3.50 -1.988692929e+00 -1.988692929e+00 3.52 -1.935239491e+00 -1.935239491e+00 3.54 -1.883089348e+00 -1.883089348e+00 3.56 -1.832247566e+00 -1.832247566e+00 3.58 -1.782710477e+00 -1.782710477e+00 3.60 -1.734465700e+00 -1.734465700e+00 3.62 -1.687492427e+00 -1.687492427e+00 3.64 -1.641761960e+00 -1.641761960e+00 3.66 -1.597238467e+00 -1.597238467e+00 3.68 -1.553879968e+00 -1.553879968e+00 3.70 -1.511639496e+00 -1.511639496e+00 3.72 -1.470466404e+00 -1.470466404e+00 3.74 -1.430307760e+00 -1.430307760e+00 3.76 -1.391109752e+00 -1.391109752e+00 3.78 -1.352819027e+00 -1.352819027e+00 3.80 -1.315383905e+00 -1.315383905e+00 3.82 -1.278755390e+00 -1.278755390e+00 3.84 -1.242887952e+00 -1.242887952e+00 3.86 -1.207740068e+00 -1.207740068e+00 3.88 -1.173274531e+00 -1.173274531e+00 3.90 -1.139458566e+00 -1.139458566e+00 3.92 -1.106263824e+00 -1.106263824e+00 3.94 -1.073666309e+00 -1.073666309e+00 3.96 -1.041646311e+00 -1.041646311e+00 3.98 -1.010188418e+00 -1.010188418e+00 4.00 -9.792816343e-01 -9.792816343e-01 4.02 -9.489196160e-01 -9.489196160e-01 4.04 -9.191009971e-01 -9.191009971e-01 4.06 -8.898297319e-01 -8.898297319e-01 4.08 -8.611153496e-01 -8.611153496e-01 4.10 -8.329729866e-01 -8.329729866e-01 4.12 -8.054231027e-01 -8.054231027e-01 4.14 -7.784906838e-01 -7.784906838e-01 4.16 -7.522040168e-01 -7.522040168e-01 4.18 -7.265929707e-01 -7.265929707e-01 4.20 -7.016869450e-01 -7.016869450e-01 4.22 -6.775126700e-01 -6.775126700e-01 4.24 -6.540920840e-01 -6.540920840e-01 4.26 -6.314404967e-01 -6.314404967e-01 4.28 -6.095651958e-01 -6.095651958e-01 4.30 -5.884645726e-01 -5.884645726e-01 4.32 -5.681277656e-01 -5.681277656e-01 4.34 -5.485347651e-01 -5.485347651e-01 4.36 -5.296568940e-01 -5.296568940e-01 4.38 -5.114575767e-01 -5.114575767e-01 4.40 -4.938933164e-01 -4.938933164e-01 4.42 -4.769148132e-01 -4.769148132e-01 4.44 -4.604681651e-01 -4.604681651e-01 4.46 -4.444961002e-01 -4.444961002e-01 4.48 -4.289392013e-01 -4.289392013e-01 4.50 -4.137370923e-01 -4.137370923e-01 4.52 -3.988295761e-01 -3.988295761e-01 4.54 -3.841577285e-01 -3.841577285e-01 4.56 -3.696649665e-01 -3.696649665e-01 4.58 -3.552981242e-01 -3.552981242e-01 4.60 -3.410085673e-01 -3.410085673e-01 4.62 -3.267533755e-01 -3.267533755e-01 4.64 -3.124966065e-01 -3.124966065e-01 4.66 -2.982106313e-01 -2.982106313e-01 4.68 -2.838775041e-01 -2.838775041e-01 4.70 -2.694902891e-01 -2.694902891e-01 4.72 -2.550542384e-01 -2.550542384e-01 4.74 -2.405876777e-01 -2.405876777e-01 4.76 -2.261224431e-01 -2.261224431e-01 4.78 -2.117037124e-01 -2.117037124e-01 4.80 -1.973890981e-01 -1.973890981e-01 4.82 -1.832469400e-01 -1.832469400e-01 4.84 -1.693537795e-01 -1.693537795e-01 4.86 -1.557911546e-01 -1.557911546e-01 4.88 -1.426418945e-01 -1.426418945e-01 4.90 -1.299862056e-01 -1.299862056e-01 4.92 -1.178978749e-01 -1.178978749e-01 4.94 -1.064409140e-01 -1.064409140e-01 4.96 -9.566691759e-02 -9.566691759e-02 4.98 -8.561331949e-02 -8.561331949e-02 5.00 -7.630262295e-02 -7.630262295e-02 5.02 -6.774256869e-02 -6.774256869e-02 5.04 -5.992711233e-02 -5.992711233e-02 5.06 -5.283804916e-02 -5.283804916e-02 5.08 -4.644701605e-02 -4.644701605e-02 5.10 -4.071769783e-02 -4.071769783e-02 5.12 -3.560804557e-02 -3.560804557e-02 5.14 -3.107247456e-02 -3.107247456e-02 5.16 -2.706460473e-02 -2.706460473e-02 5.18 -2.353616103e-02 -2.353616103e-02 5.20 -2.043969191e-02 -2.043969191e-02 5.22 -1.772997235e-02 -1.772997235e-02 5.24 -1.536456729e-02 -1.536456729e-02 5.26 -1.330406913e-02 -1.330406913e-02 5.28 -1.151213475e-02 -1.151213475e-02 5.30 -9.956426131e-03 -9.956426131e-03 5.32 -8.607775911e-03 -8.607775911e-03 5.34 -7.440023092e-03 -7.440023092e-03 5.36 -6.429876707e-03 -6.429876707e-03 5.38 -5.556727994e-03 -5.556727994e-03 5.40 -4.802434503e-03 -4.802434503e-03 5.42 -4.151092944e-03 -4.151092944e-03 5.44 -3.588812424e-03 -3.588812424e-03 5.46 -3.103495851e-03 -3.103495851e-03 5.48 -2.684634360e-03 -2.684634360e-03 5.50 -2.323117526e-03 -2.323117526e-03 5.52 -2.011060629e-03 -2.011060629e-03 5.54 -1.741649163e-03 -1.741649163e-03 5.56 -1.509000132e-03 -1.509000132e-03 5.58 -1.308039195e-03 -1.308039195e-03 5.60 -1.134392497e-03 -1.134392497e-03 5.62 -9.842918942e-04 -9.842918942e-04 5.64 -8.544922415e-04 -8.544922415e-04 5.66 -7.421994467e-04 -7.421994467e-04 5.68 -6.450080622e-04 -6.450080622e-04 5.70 -5.608472695e-04 -5.608472695e-04 5.72 -4.879342148e-04 -4.879342148e-04 5.74 -4.247337563e-04 -4.247337563e-04 5.76 -3.699237828e-04 -3.699237828e-04 5.78 -3.223653624e-04 -3.223653624e-04 5.80 -2.810770682e-04 -2.810770682e-04 5.82 -2.452129079e-04 -2.452129079e-04 5.84 -2.140433600e-04 -2.140433600e-04 5.86 -1.869390840e-04 -1.869390840e-04 5.88 -1.633569289e-04 -1.633569289e-04 5.90 -1.428279176e-04 -1.428279176e-04 5.92 -1.249469267e-04 -1.249469267e-04 5.94 -1.093638229e-04 -1.093638229e-04 5.96 -9.577584711e-05 -9.577584711e-05 5.98 -8.392107201e-05 -8.392107201e-05 6.00 -7.357277743e-05 -7.357277743e-05