# 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 = CuFePt2 # 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 2.627315379e+02 2.627315379e+02 1.30 2.434707359e+02 2.434707359e+02 1.32 2.255363115e+02 2.255363115e+02 1.34 2.088463680e+02 2.088463680e+02 1.36 1.933212091e+02 1.933212091e+02 1.38 1.788790870e+02 1.788790870e+02 1.40 1.654378542e+02 1.654378542e+02 1.42 1.529189954e+02 1.529189954e+02 1.44 1.412490930e+02 1.412490930e+02 1.46 1.303603441e+02 1.303603441e+02 1.48 1.201927969e+02 1.201927969e+02 1.50 1.106954941e+02 1.106954941e+02 1.52 1.018235323e+02 1.018235323e+02 1.54 9.353324123e+01 9.353324123e+01 1.56 8.577950143e+01 8.577950143e+01 1.58 7.851618937e+01 7.851618937e+01 1.60 7.169808692e+01 7.169808692e+01 1.62 6.528285276e+01 6.528285276e+01 1.64 5.923287858e+01 5.923287858e+01 1.66 5.351714589e+01 5.351714589e+01 1.68 4.811264559e+01 4.811264559e+01 1.70 4.302777501e+01 4.302777501e+01 1.72 3.836471661e+01 3.836471661e+01 1.74 3.411619960e+01 3.411619960e+01 1.76 3.025664572e+01 3.025664572e+01 1.78 2.675754697e+01 2.675754697e+01 1.80 2.358818298e+01 2.358818298e+01 1.82 2.071776300e+01 2.071776300e+01 1.84 1.811759904e+01 1.811759904e+01 1.86 1.576234296e+01 1.576234296e+01 1.88 1.362998263e+01 1.362998263e+01 1.90 1.170089159e+01 1.170089159e+01 1.92 9.956646223e+00 9.956646223e+00 1.94 8.379351905e+00 8.379351905e+00 1.96 6.951768741e+00 6.951768741e+00 1.98 5.657939595e+00 5.657939595e+00 2.00 4.483779423e+00 4.483779423e+00 2.02 3.417287289e+00 3.417287289e+00 2.04 2.448382047e+00 2.448382047e+00 2.06 1.568543478e+00 1.568543478e+00 2.08 7.704277562e-01 7.704277562e-01 2.10 4.754144041e-02 4.754144041e-02 2.12 -6.060018112e-01 -6.060018112e-01 2.14 -1.195639142e+00 -1.195639142e+00 2.16 -1.726436989e+00 -1.726436989e+00 2.18 -2.203108762e+00 -2.203108762e+00 2.20 -2.630000892e+00 -2.630000892e+00 2.22 -3.011075206e+00 -3.011075206e+00 2.24 -3.349904872e+00 -3.349904872e+00 2.26 -3.649690568e+00 -3.649690568e+00 2.28 -3.913297168e+00 -3.913297168e+00 2.30 -4.143306912e+00 -4.143306912e+00 2.32 -4.342080558e+00 -4.342080558e+00 2.34 -4.511815737e+00 -4.511815737e+00 2.36 -4.654594980e+00 -4.654594980e+00 2.38 -4.772422666e+00 -4.772422666e+00 2.40 -4.867422607e+00 -4.867422607e+00 2.42 -4.944090513e+00 -4.944090513e+00 2.44 -5.004441517e+00 -5.004441517e+00 2.46 -5.049531617e+00 -5.049531617e+00 2.48 -5.080586921e+00 -5.080586921e+00 2.50 -5.098976363e+00 -5.098976363e+00 2.52 -5.106166888e+00 -5.106166888e+00 2.54 -5.103656705e+00 -5.103656705e+00 2.56 -5.092888742e+00 -5.092888742e+00 2.58 -5.075158454e+00 -5.075158454e+00 2.60 -5.051539241e+00 -5.051539241e+00 2.62 -5.022846229e+00 -5.022846229e+00 2.64 -4.989645139e+00 -4.989645139e+00 2.66 -4.952296311e+00 -4.952296311e+00 2.68 -4.911014583e+00 -4.911014583e+00 2.70 -4.865959655e+00 -4.865959655e+00 2.72 -4.817415547e+00 -4.817415547e+00 2.74 -4.765270821e+00 -4.765270821e+00 2.76 -4.709377097e+00 -4.709377097e+00 2.78 -4.649628156e+00 -4.649628156e+00 2.80 -4.585955098e+00 -4.585955098e+00 2.82 -4.518329886e+00 -4.518329886e+00 2.84 -4.446772446e+00 -4.446772446e+00 2.86 -4.371364245e+00 -4.371364245e+00 2.88 -4.292276377e+00 -4.292276377e+00 2.90 -4.209790802e+00 -4.209790802e+00 2.92 -4.124296002e+00 -4.124296002e+00 2.94 -4.036290411e+00 -4.036290411e+00 2.96 -3.946364583e+00 -3.946364583e+00 2.98 -3.855133546e+00 -3.855133546e+00 3.00 -3.763228980e+00 -3.763228980e+00 3.02 -3.671264446e+00 -3.671264446e+00 3.04 -3.579781616e+00 -3.579781616e+00 3.06 -3.489210334e+00 -3.489210334e+00 3.08 -3.399849541e+00 -3.399849541e+00 3.10 -3.311869918e+00 -3.311869918e+00 3.12 -3.225333440e+00 -3.225333440e+00 3.14 -3.140222400e+00 -3.140222400e+00 3.16 -3.056493341e+00 -3.056493341e+00 3.18 -2.974254788e+00 -2.974254788e+00 3.20 -2.893648982e+00 -2.893648982e+00 3.22 -2.814772856e+00 -2.814772856e+00 3.24 -2.737697113e+00 -2.737697113e+00 3.26 -2.662477095e+00 -2.662477095e+00 3.28 -2.589157294e+00 -2.589157294e+00 3.30 -2.517771940e+00 -2.517771940e+00 3.32 -2.448343646e+00 -2.448343646e+00 3.34 -2.380881619e+00 -2.380881619e+00 3.36 -2.315380385e+00 -2.315380385e+00 3.38 -2.251819535e+00 -2.251819535e+00 3.40 -2.190164574e+00 -2.190164574e+00 3.42 -2.130368700e+00 -2.130368700e+00 3.44 -2.072375173e+00 -2.072375173e+00 3.46 -2.016119933e+00 -2.016119933e+00 3.48 -1.961534124e+00 -1.961534124e+00 3.50 -1.908546327e+00 -1.908546327e+00 3.52 -1.857084352e+00 -1.857084352e+00 3.54 -1.807076596e+00 -1.807076596e+00 3.56 -1.758452982e+00 -1.758452982e+00 3.58 -1.711145572e+00 -1.711145572e+00 3.60 -1.665088960e+00 -1.665088960e+00 3.62 -1.620220537e+00 -1.620220537e+00 3.64 -1.576480742e+00 -1.576480742e+00 3.66 -1.533813347e+00 -1.533813347e+00 3.68 -1.492165853e+00 -1.492165853e+00 3.70 -1.451489994e+00 -1.451489994e+00 3.72 -1.411742326e+00 -1.411742326e+00 3.74 -1.372884842e+00 -1.372884842e+00 3.76 -1.334885504e+00 -1.334885504e+00 3.78 -1.297718558e+00 -1.297718558e+00 3.80 -1.261364485e+00 -1.261364485e+00 3.82 -1.225809501e+00 -1.225809501e+00 3.84 -1.191044549e+00 -1.191044549e+00 3.86 -1.157063844e+00 -1.157063844e+00 3.88 -1.123863138e+00 -1.123863138e+00 3.90 -1.091437942e+00 -1.091437942e+00 3.92 -1.059781981e+00 -1.059781981e+00 3.94 -1.028886135e+00 -1.028886135e+00 3.96 -9.987380097e-01 -9.987380097e-01 3.98 -9.693222147e-01 -9.693222147e-01 4.00 -9.406212405e-01 -9.406212405e-01 4.02 -9.126167936e-01 -9.126167936e-01 4.04 -8.852913549e-01 -8.852913549e-01 4.06 -8.586297218e-01 -8.586297218e-01 4.08 -8.326202991e-01 -8.326202991e-01 4.10 -8.072559368e-01 -8.072559368e-01 4.12 nan -7.825342022e-01 4.14 -7.584569175e-01 -7.584569175e-01 4.16 -7.350290997e-01 -7.350290997e-01 4.18 -7.122573087e-01 -7.122573087e-01 4.20 -6.901476369e-01 -6.901476369e-01 4.22 -6.687035965e-01 -6.687035965e-01 4.24 -6.479241862e-01 -6.479241862e-01 4.26 -6.278023901e-01 -6.278023901e-01 4.28 -6.083242822e-01 -6.083242822e-01 4.30 -5.894687928e-01 -5.894687928e-01 4.32 -5.712080849e-01 -5.712080849e-01 4.34 -5.535083947e-01 -5.535083947e-01 4.36 -5.363311445e-01 -5.363311445e-01 4.38 -5.196341367e-01 -5.196341367e-01 4.40 -5.033726689e-01 -5.033726689e-01 4.42 -4.875004702e-01 -4.875004702e-01 4.44 -4.719704194e-01 -4.719704194e-01 4.46 -4.567350591e-01 -4.567350591e-01 4.48 -4.417469616e-01 -4.417469616e-01 4.50 -4.269590234e-01 -4.269590234e-01 4.52 -4.123247709e-01 -4.123247709e-01 4.54 -3.977987574e-01 -3.977987574e-01 4.56 -3.833371134e-01 -3.833371134e-01 4.58 -3.688982884e-01 -3.688982884e-01 4.60 -3.544440468e-01 -3.544440468e-01 4.62 -3.399406718e-01 -3.399406718e-01 4.64 -3.253603564e-01 -3.253603564e-01 4.66 -3.106828833e-01 -3.106828833e-01 4.68 -2.958986008e-01 -2.958986008e-01 4.70 -2.810063295e-01 -2.810063295e-01 4.72 -2.660169698e-01 -2.660169698e-01 4.74 -2.509553923e-01 -2.509553923e-01 4.76 -2.358607988e-01 -2.358607988e-01 4.78 -2.207864880e-01 -2.207864880e-01 4.80 -2.057988485e-01 -2.057988485e-01 4.82 -1.909754767e-01 -1.909754767e-01 4.84 -1.764024072e-01 -1.764024072e-01 4.86 -1.621705846e-01 -1.621705846e-01 4.88 -1.483717914e-01 -1.483717914e-01 4.90 -1.350943584e-01 -1.350943584e-01 4.92 -1.224190236e-01 -1.224190236e-01 4.94 -1.104153049e-01 -1.104153049e-01 4.96 -9.913868908e-02 -9.913868908e-02 4.98 -8.862883931e-02 -8.862883931e-02 5.00 -7.890889326e-02 -7.890889326e-02 5.02 -6.998580239e-02 -6.998580239e-02 5.04 -6.185155715e-02 -6.185155715e-02 5.06 -5.448507681e-02 -5.448507681e-02 5.08 -4.785451498e-02 -4.785451498e-02 5.10 -4.191974074e-02 -4.191974074e-02 5.12 -3.663479007e-02 -3.663479007e-02 5.14 -3.195013205e-02 -3.195013205e-02 5.16 -2.781464806e-02 -2.781464806e-02 5.18 -2.417727138e-02 -2.417727138e-02 5.20 -2.098826947e-02 -2.098826947e-02 5.22 -1.820019946e-02 -1.820019946e-02 5.24 -1.576856060e-02 -1.576856060e-02 5.26 -1.365204855e-02 -1.365204855e-02 5.28 -1.181258266e-02 -1.181258266e-02 5.30 -1.021650988e-02 -1.021650988e-02 5.32 -8.833530050e-03 -8.833530050e-03 5.34 -7.636507759e-03 -7.636507759e-03 5.36 -6.601328147e-03 -6.601328147e-03 5.38 -5.706694108e-03 -5.706694108e-03 5.40 -4.933892596e-03 -4.933892596e-03 5.42 -4.266549462e-03 -4.266549462e-03 5.44 -3.690385946e-03 -3.690385946e-03 5.46 -3.192985282e-03 -3.192985282e-03 5.48 -2.763574515e-03 -2.763574515e-03 5.50 -2.392824211e-03 -2.392824211e-03 5.52 -2.072667130e-03 -2.072667130e-03 5.54 -1.796135802e-03 -1.796135802e-03 5.56 -1.557218260e-03 -1.557218260e-03 5.58 -1.350730754e-03 -1.350730754e-03 5.60 -1.172206062e-03 -1.172206062e-03 5.62 -1.017795914e-03 -1.017795914e-03 5.64 -8.841860400e-04 -8.841860400e-04 5.66 -7.685224410e-04 -7.685224410e-04 5.68 -6.683475362e-04 -6.683475362e-04 5.70 -5.815449806e-04 -5.815449806e-04 5.72 -5.062920446e-04 -5.062920446e-04 5.74 -4.410185734e-04 -4.410185734e-04 5.76 -3.843716498e-04 -3.843716498e-04 5.78 -3.351851925e-04 -3.351851925e-04 5.80 -2.924538166e-04 -2.924538166e-04 5.82 -2.553103653e-04 -2.553103653e-04 5.84 -2.230066062e-04 -2.230066062e-04 5.86 -1.948966459e-04 -1.948966459e-04 5.88 -1.704226833e-04 -1.704226833e-04 5.90 -1.491027709e-04 -1.491027709e-04 5.92 -1.305202988e-04 -1.305202988e-04 5.94 -1.143149596e-04 -1.143149596e-04 5.96 -1.001749821e-04 -1.001749821e-04 5.98 -8.783045485e-05 -8.783045485e-05 6.00 -7.704758426e-05 -7.704758426e-05