# 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 = Au2FePt # 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 3.445805017e+02 3.445805017e+02 1.30 3.194555208e+02 3.194555208e+02 1.32 2.961567441e+02 2.961567441e+02 1.34 2.745498780e+02 2.745498780e+02 1.36 2.545075602e+02 2.545075602e+02 1.38 2.359055868e+02 2.359055868e+02 1.40 2.186240720e+02 2.186240720e+02 1.42 2.025520563e+02 2.025520563e+02 1.44 1.875915193e+02 1.875915193e+02 1.46 1.736577445e+02 1.736577445e+02 1.48 1.606763048e+02 1.606763048e+02 1.50 1.485791515e+02 1.485791515e+02 1.52 1.373017708e+02 1.373017708e+02 1.54 1.267819954e+02 1.267819954e+02 1.56 1.169603157e+02 1.169603157e+02 1.58 1.077811219e+02 1.077811219e+02 1.60 9.919408985e+01 9.919408985e+01 1.62 9.115500447e+01 9.115500447e+01 1.64 8.362565137e+01 8.362565137e+01 1.66 7.657292121e+01 7.657292121e+01 1.68 6.996769932e+01 6.996769932e+01 1.70 6.378399982e+01 6.378399982e+01 1.72 5.799826257e+01 5.799826257e+01 1.74 5.259591326e+01 5.259591326e+01 1.76 4.759095800e+01 4.759095800e+01 1.78 4.300849687e+01 4.300849687e+01 1.80 3.881637942e+01 3.881637942e+01 1.82 3.497932189e+01 3.497932189e+01 1.84 3.146466828e+01 3.146466828e+01 1.86 2.824283851e+01 2.824283851e+01 1.88 2.528747576e+01 2.528747576e+01 1.90 2.257538844e+01 2.257538844e+01 1.92 2.008633171e+01 2.008633171e+01 1.94 1.780260280e+01 1.780260280e+01 1.96 1.570846264e+01 1.570846264e+01 1.98 1.378952114e+01 1.378952114e+01 2.00 1.203227916e+01 1.203227916e+01 2.02 1.042393202e+01 1.042393202e+01 2.04 8.952391491e+00 8.952391491e+00 2.06 7.606400267e+00 7.606400267e+00 2.08 6.375622789e+00 6.375622789e+00 2.10 5.250656756e+00 5.250656756e+00 2.12 4.222969040e+00 4.222969040e+00 2.14 3.284793077e+00 3.284793077e+00 2.16 2.429027360e+00 2.429027360e+00 2.18 1.649157434e+00 1.649157434e+00 2.20 9.392034421e-01 9.392034421e-01 2.22 2.936842363e-01 2.936842363e-01 2.24 -2.924119552e-01 -2.924119552e-01 2.26 -8.236568054e-01 -8.236568054e-01 2.28 -1.304214307e+00 -1.304214307e+00 2.30 -1.737877329e+00 -1.737877329e+00 2.32 -2.128107881e+00 -2.128107881e+00 2.34 -2.478079309e+00 -2.478079309e+00 2.36 -2.790717607e+00 -2.790717607e+00 2.38 -3.068738278e+00 -3.068738278e+00 2.40 -3.314675401e+00 -3.314675401e+00 2.42 -3.530901134e+00 -3.530901134e+00 2.44 -3.719637012e+00 -3.719637012e+00 2.46 -3.883249373e+00 -3.883249373e+00 2.48 -4.025008634e+00 -4.025008634e+00 2.50 -4.146508760e+00 -4.146508760e+00 2.52 -4.249095750e+00 -4.249095750e+00 2.54 -4.334131423e+00 -4.334131423e+00 2.56 -4.403000726e+00 -4.403000726e+00 2.58 -4.457101895e+00 -4.457101895e+00 2.60 -4.497818015e+00 -4.497818015e+00 2.62 -4.526476068e+00 -4.526476068e+00 2.64 -4.544303893e+00 -4.544303893e+00 2.66 -4.552395668e+00 -4.552395668e+00 2.68 -4.551693223e+00 -4.551693223e+00 2.70 -4.543018765e+00 -4.543018765e+00 2.72 -4.527151753e+00 -4.527151753e+00 2.74 -4.504499683e+00 -4.504499683e+00 2.76 -4.475388289e+00 -4.475388289e+00 2.78 -4.440123334e+00 -4.440123334e+00 2.80 -4.399004631e+00 -4.399004631e+00 2.82 -4.352332854e+00 -4.352332854e+00 2.84 -4.300426189e+00 -4.300426189e+00 2.86 -4.243628566e+00 -4.243628566e+00 2.88 -4.182309753e+00 -4.182309753e+00 2.90 -4.116869187e+00 -4.116869187e+00 2.92 -4.047751534e+00 -4.047751534e+00 2.94 -3.975447870e+00 -3.975447870e+00 2.96 -3.900474807e+00 -3.900474807e+00 2.98 -3.823301338e+00 -3.823301338e+00 3.00 -3.744394931e+00 -3.744394931e+00 3.02 -3.664222434e+00 -3.664222434e+00 3.04 -3.583221243e+00 -3.583221243e+00 3.06 -3.501775997e+00 -3.501775997e+00 3.08 -3.420204326e+00 -3.420204326e+00 3.10 -3.338752768e+00 -3.338752768e+00 3.12 -3.257601613e+00 -3.257601613e+00 3.14 -3.176883328e+00 -3.176883328e+00 3.16 -3.096758908e+00 -3.096758908e+00 3.18 -3.017378011e+00 -3.017378011e+00 3.20 -2.938848132e+00 -2.938848132e+00 3.22 -2.861255863e+00 -2.861255863e+00 3.24 -2.784682105e+00 -2.784682105e+00 3.26 -2.709210960e+00 -2.709210960e+00 3.28 -2.634933240e+00 -2.634933240e+00 3.30 -2.561945792e+00 -2.561945792e+00 3.32 -2.490347950e+00 -2.490347950e+00 3.34 -2.420236443e+00 -2.420236443e+00 3.36 -2.351699928e+00 -2.351699928e+00 3.38 -2.284814134e+00 -2.284814134e+00 3.40 -2.219638242e+00 -2.219638242e+00 3.42 -2.156212851e+00 -2.156212851e+00 3.44 -2.094559500e+00 -2.094559500e+00 3.46 -2.034681585e+00 -2.034681585e+00 3.48 -1.976566255e+00 -1.976566255e+00 3.50 -1.920186926e+00 -1.920186926e+00 3.52 -1.865506009e+00 -1.865506009e+00 3.54 -1.812477575e+00 -1.812477575e+00 3.56 -1.761049732e+00 -1.761049732e+00 3.58 -1.711166617e+00 -1.711166617e+00 3.60 -1.662769957e+00 -1.662769957e+00 3.62 -1.615800222e+00 -1.615800222e+00 3.64 -1.570197426e+00 -1.570197426e+00 3.66 -1.525901646e+00 -1.525901646e+00 3.68 -1.482853350e+00 -1.482853350e+00 3.70 -1.440993585e+00 -1.440993585e+00 3.72 -1.400264107e+00 -1.400264107e+00 3.74 -1.360607488e+00 -1.360607488e+00 3.76 -1.321967234e+00 -1.321967234e+00 3.78 -1.284287917e+00 -1.284287917e+00 3.80 -1.247515337e+00 -1.247515337e+00 3.82 -1.211596680e+00 -1.211596680e+00 3.84 -1.176480675e+00 -1.176480675e+00 3.86 -1.142117734e+00 -1.142117734e+00 3.88 -1.108460066e+00 -1.108460066e+00 3.90 -1.075461775e+00 -1.075461775e+00 3.92 -1.043078971e+00 -1.043078971e+00 3.94 -1.011269939e+00 -1.011269939e+00 3.96 -9.799953835e-01 -9.799953835e-01 3.98 -9.492188565e-01 -9.492188565e-01 4.00 -9.189073635e-01 -9.189073635e-01 4.02 -8.890322127e-01 -8.890322127e-01 4.04 -8.595700943e-01 -8.595700943e-01 4.06 -8.305043527e-01 -8.305043527e-01 4.08 -8.018263580e-01 -8.018263580e-01 4.10 -7.735368239e-01 -7.735368239e-01 4.12 -7.456469048e-01 -7.456469048e-01 4.14 -7.181787768e-01 -7.181787768e-01 4.16 -6.911655849e-01 -6.911655849e-01 4.18 -6.646505160e-01 -6.646505160e-01 4.20 -6.386849617e-01 -6.386849617e-01 4.22 -6.133258255e-01 -6.133258255e-01 4.24 -5.886321718e-01 -5.886321718e-01 4.26 -5.646615244e-01 -5.646615244e-01 4.28 -5.414661800e-01 -5.414661800e-01 4.30 -5.190898973e-01 -5.190898973e-01 4.32 -4.975652509e-01 -4.975652509e-01 4.34 -4.769118342e-01 -4.769118342e-01 4.36 -4.571353773e-01 -4.571353773e-01 4.38 -4.382277369e-01 -4.382277369e-01 4.40 -4.201676456e-01 -4.201676456e-01 4.42 -4.029220552e-01 -4.029220552e-01 4.44 -3.864478967e-01 -3.864478967e-01 4.46 -3.706940827e-01 -3.706940827e-01 4.48 -3.556035945e-01 -3.556035945e-01 4.50 -3.411155310e-01 -3.411155310e-01 4.52 -3.271670265e-01 -3.271670265e-01 4.54 -3.136949841e-01 -3.136949841e-01 4.56 -3.006376052e-01 -3.006376052e-01 4.58 -2.879357228e-01 -2.879357228e-01 4.60 -2.755339661e-01 -2.755339661e-01 4.62 -2.633817930e-01 -2.633817930e-01 4.64 -2.514344261e-01 -2.514344261e-01 4.66 -2.396537179e-01 -2.396537179e-01 4.68 -2.280089549e-01 -2.280089549e-01 4.70 -2.164775856e-01 -2.164775856e-01 4.72 -2.050458380e-01 -2.050458380e-01 4.74 -1.937091680e-01 -1.937091680e-01 4.76 -1.824724666e-01 -1.824724666e-01 4.78 -1.713499502e-01 -1.713499502e-01 4.80 -1.603646655e-01 -1.603646655e-01 4.82 -1.495475761e-01 -1.495475761e-01 4.84 -1.389362052e-01 -1.389362052e-01 4.86 -1.285729084e-01 -1.285729084e-01 4.88 -1.185028446e-01 -1.185028446e-01 4.90 -1.087717872e-01 -1.087717872e-01 4.92 -9.942392743e-02 -9.942392743e-02 4.94 -9.049982968e-02 -9.049982968e-02 4.96 -8.203467608e-02 -8.203467608e-02 4.98 -7.405690525e-02 -7.405690525e-02 5.00 -6.658730274e-02 -6.658730274e-02 5.02 -5.963855611e-02 -5.963855611e-02 5.04 -5.321524702e-02 -5.321524702e-02 5.06 -4.731422360e-02 -4.731422360e-02 5.08 -4.192527736e-02 -4.192527736e-02 5.10 -3.703203747e-02 -3.703203747e-02 5.12 -3.261301612e-02 -3.261301612e-02 5.14 -2.864271066e-02 -2.864271066e-02 5.16 -2.509263786e-02 -2.509263786e-02 5.18 -2.193209470e-02 -2.193209470e-02 5.20 -1.913012801e-02 -1.913012801e-02 5.22 -1.665591146e-02 -1.665591146e-02 5.24 -1.447866407e-02 -1.447866407e-02 5.26 -1.256862426e-02 -1.256862426e-02 5.28 -1.089760221e-02 -1.089760221e-02 5.30 -9.439253896e-03 -9.439253896e-03 5.32 -8.169244965e-03 -8.169244965e-03 5.34 -7.065323643e-03 -7.065323643e-03 5.36 -6.107321207e-03 -6.107321207e-03 5.38 -5.277097288e-03 -5.277097288e-03 5.40 -4.558445275e-03 -4.558445275e-03 5.42 -3.936970878e-03 -3.936970878e-03 5.44 -3.399954587e-03 -3.399954587e-03 5.46 -2.936206510e-03 -2.936206510e-03 5.48 -2.535920100e-03 -2.535920100e-03 5.50 -2.190529479e-03 -2.190529479e-03 5.52 -1.892573641e-03 -1.892573641e-03 5.54 -1.635569625e-03 -1.635569625e-03 5.56 -1.413895830e-03 -1.413895830e-03 5.58 -1.222685957e-03 -1.222685957e-03 5.60 -1.057733573e-03 -1.057733573e-03 5.62 -9.154069288e-04 -9.154069288e-04 5.64 -7.925734545e-04 -7.925734545e-04 5.66 -6.865332114e-04 -6.865332114e-04 5.68 -5.949605211e-04 -5.949605211e-04 5.70 -5.158529703e-04 -5.158529703e-04 5.72 -4.474870119e-04 -4.474870119e-04 5.74 -3.883794162e-04 -3.883794162e-04 5.76 -3.372538820e-04 -3.372538820e-04 5.78 -2.930121727e-04 -2.930121727e-04 5.80 -2.547092051e-04 -2.547092051e-04 5.82 -2.215315788e-04 -2.215315788e-04 5.84 -1.927790893e-04 -1.927790893e-04 5.86 -1.678488263e-04 -1.678488263e-04 5.88 -1.462215023e-04 -1.462215023e-04 5.90 -1.274497069e-04 -1.274497069e-04 5.92 -1.111478178e-04 -1.111478178e-04 5.94 -9.698333780e-05 -9.698333780e-05 5.96 -8.466945671e-05 -8.466945671e-05 5.98 -7.395866581e-05 -7.395866581e-05 6.00 -6.463727537e-05 -6.463727537e-05