# 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 = CoPb2Zr # 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 3.975576348e+02 3.975576348e+02 1.30 3.715392579e+02 3.715392579e+02 1.32 3.473328911e+02 3.473328911e+02 1.34 3.247950733e+02 3.247950733e+02 1.36 3.037940757e+02 3.037940757e+02 1.38 2.842100008e+02 2.842100008e+02 1.40 2.659348072e+02 2.659348072e+02 1.42 2.488719917e+02 2.488719917e+02 1.44 2.329353219e+02 2.329353219e+02 1.46 2.180463765e+02 2.180463765e+02 1.48 2.041319356e+02 2.041319356e+02 1.50 1.911226685e+02 1.911226685e+02 1.52 1.789533577e+02 1.789533577e+02 1.54 1.675636006e+02 1.675636006e+02 1.56 1.568980760e+02 1.568980760e+02 1.58 1.469061114e+02 1.469061114e+02 1.60 1.375410798e+02 1.375410798e+02 1.62 1.287600098e+02 1.287600098e+02 1.64 1.205234732e+02 1.205234732e+02 1.66 1.127954416e+02 1.127954416e+02 1.68 1.055429488e+02 1.055429488e+02 1.70 9.873551702e+01 9.873551702e+01 1.72 9.234455331e+01 9.234455331e+01 1.74 8.634294797e+01 8.634294797e+01 1.76 8.070498182e+01 8.070498182e+01 1.78 7.540643409e+01 7.540643409e+01 1.80 7.042501127e+01 7.042501127e+01 1.82 6.574027899e+01 6.574027899e+01 1.84 6.133316565e+01 6.133316565e+01 1.86 5.719046504e+01 5.719046504e+01 1.88 5.330522247e+01 5.330522247e+01 1.90 4.966183323e+01 4.966183323e+01 1.92 4.624515032e+01 4.624515032e+01 1.94 4.304081606e+01 4.304081606e+01 1.96 4.003528735e+01 4.003528735e+01 1.98 3.721587052e+01 3.721587052e+01 2.00 3.457071347e+01 3.457071347e+01 2.02 3.208874949e+01 3.208874949e+01 2.04 2.975964424e+01 2.975964424e+01 2.06 2.757377911e+01 2.757377911e+01 2.08 2.552225577e+01 2.552225577e+01 2.10 2.359689605e+01 2.359689605e+01 2.12 2.179018580e+01 2.179018580e+01 2.14 2.009518796e+01 2.009518796e+01 2.16 1.850543394e+01 1.850543394e+01 2.18 1.701483000e+01 1.701483000e+01 2.20 1.561760118e+01 1.561760118e+01 2.22 1.430825978e+01 1.430825978e+01 2.24 1.308159554e+01 1.308159554e+01 2.26 1.193267645e+01 1.193267645e+01 2.28 1.085684682e+01 1.085684682e+01 2.30 9.849733133e+00 9.849733133e+00 2.32 8.907228893e+00 8.907228893e+00 2.34 8.025468381e+00 8.025468381e+00 2.36 7.200801096e+00 7.200801096e+00 2.38 6.429762000e+00 6.429762000e+00 2.40 5.709049528e+00 5.709049528e+00 2.42 5.035511299e+00 5.035511299e+00 2.44 4.406147957e+00 4.406147957e+00 2.46 3.818123459e+00 3.818123459e+00 2.48 3.268785662e+00 3.268785662e+00 2.50 2.755684278e+00 2.755684278e+00 2.52 2.276577313e+00 2.276577313e+00 2.54 1.829421188e+00 1.829421188e+00 2.56 1.412340438e+00 1.412340438e+00 2.58 1.023551905e+00 1.023551905e+00 2.60 6.614892151e-01 6.614892151e-01 2.62 3.246918286e-01 3.246918286e-01 2.64 1.175877550e-02 1.175877550e-02 2.66 -2.786544643e-01 -2.786544643e-01 2.68 -5.478415190e-01 -5.478415190e-01 2.70 -7.970452657e-01 -7.970452657e-01 2.72 -1.027457367e+00 -1.027457367e+00 2.74 -1.240173190e+00 -1.240173190e+00 2.76 -1.436134887e+00 -1.436134887e+00 2.78 -1.616257737e+00 -1.616257737e+00 2.80 -1.781437901e+00 -1.781437901e+00 2.82 -1.932478613e+00 -1.932478613e+00 2.84 -2.070152035e+00 -2.070152035e+00 2.86 -2.195197081e+00 -2.195197081e+00 2.88 -2.308319003e+00 -2.308319003e+00 2.90 -2.410190571e+00 -2.410190571e+00 2.92 -2.501454229e+00 -2.501454229e+00 2.94 -2.582724759e+00 -2.582724759e+00 2.96 -2.654588475e+00 -2.654588475e+00 2.98 -2.717574307e+00 -2.717574307e+00 3.00 -2.772176814e+00 -2.772176814e+00 3.02 -2.818881452e+00 -2.818881452e+00 3.04 -2.858161963e+00 -2.858161963e+00 3.06 -2.890488249e+00 -2.890488249e+00 3.08 -2.916310181e+00 -2.916310181e+00 3.10 -2.936066918e+00 -2.936066918e+00 3.12 -2.950181789e+00 -2.950181789e+00 3.14 -2.959071145e+00 -2.959071145e+00 3.16 -2.963131733e+00 -2.963131733e+00 3.18 -2.962750077e+00 -2.962750077e+00 3.20 -2.958298725e+00 -2.958298725e+00 3.22 -2.950133999e+00 -2.950133999e+00 3.24 -2.938593463e+00 -2.938593463e+00 3.26 -2.923994016e+00 -2.923994016e+00 3.28 -2.906631116e+00 -2.906631116e+00 3.30 -2.886778985e+00 -2.886778985e+00 3.32 -2.864691225e+00 -2.864691225e+00 3.34 -2.840601219e+00 -2.840601219e+00 3.36 -2.814722084e+00 -2.814722084e+00 3.38 -2.787246428e+00 -2.787246428e+00 3.40 -2.758345244e+00 -2.758345244e+00 3.42 -2.728173421e+00 -2.728173421e+00 3.44 -2.696863688e+00 -2.696863688e+00 3.46 -2.664534081e+00 -2.664534081e+00 3.48 -2.631332273e+00 -2.631332273e+00 3.50 -2.597356183e+00 -2.597356183e+00 3.52 -2.562640248e+00 -2.562640248e+00 3.54 -2.527221720e+00 -2.527221720e+00 3.56 -2.491139963e+00 -2.491139963e+00 3.58 -2.454435866e+00 -2.454435866e+00 3.60 -2.417151481e+00 -2.417151481e+00 3.62 -2.379329929e+00 -2.379329929e+00 3.64 -2.341015589e+00 -2.341015589e+00 3.66 -2.302253560e+00 -2.302253560e+00 3.68 -2.263081642e+00 -2.263081642e+00 3.70 -2.223535477e+00 -2.223535477e+00 3.72 -2.183657776e+00 -2.183657776e+00 3.74 -2.143498660e+00 -2.143498660e+00 3.76 -2.103115846e+00 -2.103115846e+00 3.78 -2.062574578e+00 -2.062574578e+00 3.80 -2.021947192e+00 -2.021947192e+00 3.82 -1.981312223e+00 -1.981312223e+00 3.84 -1.940752927e+00 -1.940752927e+00 3.86 -1.900355136e+00 -1.900355136e+00 3.88 -1.860204473e+00 -1.860204473e+00 3.90 -1.820383096e+00 -1.820383096e+00 3.92 -1.780964568e+00 -1.780964568e+00 3.94 -1.742018205e+00 -1.742018205e+00 3.96 -1.703595230e+00 -1.703595230e+00 3.98 -1.665735877e+00 -1.665735877e+00 4.00 -1.628467318e+00 -1.628467318e+00 4.02 -1.591804820e+00 -1.591804820e+00 4.04 -1.555753624e+00 -1.555753624e+00 4.06 -1.520311188e+00 -1.520311188e+00 4.08 -1.485469451e+00 -1.485469451e+00 4.10 -1.451211106e+00 -1.451211106e+00 4.12 -1.417535620e+00 -1.417535620e+00 4.14 -1.384422475e+00 -1.384422475e+00 4.16 -1.351859072e+00 -1.351859072e+00 4.18 -1.319834454e+00 -1.319834454e+00 4.20 -1.288339884e+00 -1.288339884e+00 4.22 -1.257369192e+00 -1.257369192e+00 4.24 -1.226918884e+00 -1.226918884e+00 4.26 -1.196988010e+00 -1.196988010e+00 4.28 -1.167577769e+00 -1.167577769e+00 4.30 -1.138690906e+00 -1.138690906e+00 4.32 -1.110330936e+00 -1.110330936e+00 4.34 -1.082501311e+00 -1.082501311e+00 4.36 -1.055204646e+00 -1.055204646e+00 4.38 -1.028442091e+00 -1.028442091e+00 4.40 -1.002212949e+00 -1.002212949e+00 4.42 -9.765145385e-01 -9.765145385e-01 4.44 -9.513422918e-01 -9.513422918e-01 4.46 -9.266900143e-01 -9.266900143e-01 4.48 -9.025502363e-01 -9.025502363e-01 4.50 -8.789145785e-01 -8.789145785e-01 4.52 -8.557740773e-01 -8.557740773e-01 4.54 -8.331194375e-01 -8.331194375e-01 4.56 -8.109412017e-01 -8.109412017e-01 4.58 -7.892298444e-01 -7.892298444e-01 4.60 -7.679758076e-01 -7.679758076e-01 4.62 -7.471695000e-01 -7.471695000e-01 4.64 -7.268012826e-01 -7.268012826e-01 4.66 -7.068614596e-01 -7.068614596e-01 4.68 -6.873402910e-01 -6.873402910e-01 4.70 -6.682280381e-01 -6.682280381e-01 4.72 -6.495150491e-01 -6.495150491e-01 4.74 -6.311918876e-01 -6.311918876e-01 4.76 -6.132495014e-01 -6.132495014e-01 4.78 -5.956794257e-01 -5.956794257e-01 4.80 -5.784696028e-01 -5.784696028e-01 4.82 -5.616229545e-01 -5.616229545e-01 4.84 -5.451288565e-01 -5.451288565e-01 4.86 -5.289833623e-01 -5.289833623e-01 4.88 -5.131840003e-01 -5.131840003e-01 4.90 -4.977297435e-01 -4.977297435e-01 4.92 -4.826208524e-01 -4.826208524e-01 4.94 -4.678585859e-01 -4.678585859e-01 4.96 -4.534447941e-01 -4.534447941e-01 4.98 -4.393814270e-01 -4.393814270e-01 5.00 -4.256700110e-01 -4.256700110e-01 5.02 -4.123111550e-01 -4.123111550e-01 5.04 -3.993041455e-01 -3.993041455e-01 5.06 -3.866466810e-01 -3.866466810e-01 5.08 -3.743347723e-01 -3.743347723e-01 5.10 -3.623628120e-01 -3.623628120e-01 5.12 -3.507237924e-01 -3.507237924e-01 5.14 -3.394096337e-01 -3.394096337e-01 5.16 -3.284115739e-01 -3.284115739e-01 5.18 -3.177205728e-01 -3.177205728e-01 5.20 -3.073276859e-01 -3.073276859e-01 5.22 -2.972243777e-01 -2.972243777e-01 5.24 -2.874027547e-01 -2.874027547e-01 5.26 -2.778557112e-01 -2.778557112e-01 5.28 -2.685769920e-01 -2.685769920e-01 5.30 -2.595611832e-01 -2.595611832e-01 5.32 -2.508036484e-01 -2.508036484e-01 5.34 -2.423004264e-01 -2.423004264e-01 5.36 -2.340481073e-01 -2.340481073e-01 5.38 -2.260436977e-01 -2.260436977e-01 5.40 -2.182844838e-01 -2.182844838e-01 5.42 -2.107678925e-01 -2.107678925e-01 5.44 -2.034913507e-01 -2.034913507e-01 5.46 -1.964521420e-01 -1.964521420e-01 5.48 -1.896472567e-01 -1.896472567e-01 5.50 -1.830732425e-01 -1.830732425e-01 5.52 -1.767260592e-01 -1.767260592e-01 5.54 -1.706009497e-01 -1.706009497e-01 5.56 -1.646923388e-01 -1.646923388e-01 5.58 -1.589937719e-01 -1.589937719e-01 5.60 -1.534979011e-01 -1.534979011e-01 5.62 -1.481965217e-01 -1.481965217e-01 5.64 -1.430806577e-01 -1.430806577e-01 5.66 -1.381406869e-01 -1.381406869e-01 5.68 -1.333664970e-01 -1.333664970e-01 5.70 -1.287476583e-01 -1.287476583e-01 5.72 -1.242736008e-01 -1.242736008e-01 5.74 -1.199337875e-01 -1.199337875e-01 5.76 -1.157178736e-01 -1.157178736e-01 5.78 -1.116158484e-01 -1.116158484e-01 5.80 -1.076181579e-01 -1.076181579e-01 5.82 -1.037158072e-01 -1.037158072e-01 5.84 -9.990044516e-02 -9.990044516e-02 5.86 -9.616443216e-02 -9.616443216e-02 5.88 -9.250089463e-02 -9.250089463e-02 5.90 -8.890376677e-02 -8.890376677e-02 5.92 -8.536782158e-02 -8.536782158e-02 5.94 -8.188869148e-02 -8.188869148e-02 5.96 -7.846287892e-02 -7.846287892e-02 5.98 -7.508775628e-02 -7.508775628e-02 6.00 -7.176155357e-02 -7.176155357e-02