# 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 = Fe2PdW # 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 3.012293189e+02 3.012293189e+02 1.30 2.765493200e+02 2.765493200e+02 1.32 2.538360083e+02 2.538360083e+02 1.34 2.329333792e+02 2.329333792e+02 1.36 2.136991637e+02 2.136991637e+02 1.38 1.959996144e+02 1.959996144e+02 1.40 1.797076624e+02 1.797076624e+02 1.42 1.647042978e+02 1.647042978e+02 1.44 1.508810511e+02 1.508810511e+02 1.46 1.381412281e+02 1.381412281e+02 1.48 1.263990662e+02 1.263990662e+02 1.50 1.155775789e+02 1.155775789e+02 1.52 1.056062906e+02 1.056062906e+02 1.54 9.641959965e+01 9.641959965e+01 1.56 8.795590694e+01 8.795590694e+01 1.58 8.015733013e+01 8.015733013e+01 1.60 7.296978939e+01 7.296978939e+01 1.62 6.634329609e+01 6.634329609e+01 1.64 6.023226899e+01 6.023226899e+01 1.66 5.459568740e+01 5.459568740e+01 1.68 4.939694982e+01 4.939694982e+01 1.70 4.460344533e+01 4.460344533e+01 1.72 4.018642314e+01 4.018642314e+01 1.74 3.611896007e+01 3.611896007e+01 1.76 3.238004072e+01 3.238004072e+01 1.78 2.896093586e+01 2.896093586e+01 1.80 2.583585861e+01 2.583585861e+01 1.82 2.297869481e+01 2.297869481e+01 1.84 2.036521946e+01 2.036521946e+01 1.86 1.797348677e+01 1.797348677e+01 1.88 1.578400757e+01 1.578400757e+01 1.90 1.377967857e+01 1.377967857e+01 1.92 1.194550433e+01 1.194550433e+01 1.94 1.026820178e+01 1.026820178e+01 1.96 8.735785534e+00 8.735785534e+00 1.98 7.337211831e+00 7.337211831e+00 2.00 6.062125746e+00 6.062125746e+00 2.02 4.900721852e+00 4.900721852e+00 2.04 3.843697462e+00 3.843697462e+00 2.06 2.882259946e+00 2.882259946e+00 2.08 2.008151833e+00 2.008151833e+00 2.10 1.213673776e+00 1.213673776e+00 2.12 4.917026361e-01 4.917026361e-01 2.14 -1.642912262e-01 -1.642912262e-01 2.16 -7.602276757e-01 -7.602276757e-01 2.18 -1.301409359e+00 -1.301409359e+00 2.20 -1.792533731e+00 -1.792533731e+00 2.22 -2.237730579e+00 -2.237730579e+00 2.24 -2.640509558e+00 -2.640509558e+00 2.26 -3.004129591e+00 -3.004129591e+00 2.28 -3.331615707e+00 -3.331615707e+00 2.30 -3.625660456e+00 -3.625660456e+00 2.32 -3.888704331e+00 -3.888704331e+00 2.34 -4.122998215e+00 -4.122998215e+00 2.36 -4.330564827e+00 -4.330564827e+00 2.38 -4.512950037e+00 -4.512950037e+00 2.40 -4.671632707e+00 -4.671632707e+00 2.42 -4.808142669e+00 -4.808142669e+00 2.44 -4.924025353e+00 -4.924025353e+00 2.46 -5.020814227e+00 -5.020814227e+00 2.48 -5.100008045e+00 -5.100008045e+00 2.50 -5.163049962e+00 -5.163049962e+00 2.52 -5.211306977e+00 -5.211306977e+00 2.54 -5.246050896e+00 -5.246050896e+00 2.56 -5.268444090e+00 -5.268444090e+00 2.58 -5.279533042e+00 -5.279533042e+00 2.60 -5.280250284e+00 -5.280250284e+00 2.62 -5.271422669e+00 -5.271422669e+00 2.64 -5.253835367e+00 -5.253835367e+00 2.66 -5.228562210e+00 -5.228562210e+00 2.68 -5.196038387e+00 -5.196038387e+00 2.70 -5.156529529e+00 -5.156529529e+00 2.72 -5.110289016e+00 -5.110289016e+00 2.74 -5.057558886e+00 -5.057558886e+00 2.76 -4.998573689e+00 -4.998573689e+00 2.78 -4.933566269e+00 -4.933566269e+00 2.80 -4.862863244e+00 -4.862863244e+00 2.82 -4.786813380e+00 -4.786813380e+00 2.84 -4.705769710e+00 -4.705769710e+00 2.86 -4.620101245e+00 -4.620101245e+00 2.88 -4.530203118e+00 -4.530203118e+00 2.90 -4.436419629e+00 -4.436419629e+00 2.92 -4.338885758e+00 -4.338885758e+00 2.94 -4.237799785e+00 -4.237799785e+00 2.96 -4.133466102e+00 -4.133466102e+00 2.98 -4.026264465e+00 -4.026264465e+00 3.00 -3.916617139e+00 -3.916617139e+00 3.02 -3.804957515e+00 -3.804957515e+00 3.04 -3.691703277e+00 -3.691703277e+00 3.06 -3.577236274e+00 -3.577236274e+00 3.08 -3.461890190e+00 -3.461890190e+00 3.10 -3.345946213e+00 -3.345946213e+00 3.12 -3.229636064e+00 -3.229636064e+00 3.14 -3.113151097e+00 -3.113151097e+00 3.16 -2.996655608e+00 -2.996655608e+00 3.18 -2.880302148e+00 -2.880302148e+00 3.20 -2.764246529e+00 -2.764246529e+00 3.22 -2.648660472e+00 -2.648660472e+00 3.24 -2.533740332e+00 -2.533740332e+00 3.26 -2.419711084e+00 -2.419711084e+00 3.28 -2.306825595e+00 -2.306825595e+00 3.30 -2.195359993e+00 -2.195359993e+00 3.32 -2.085606520e+00 -2.085606520e+00 3.34 -1.977865500e+00 -1.977865500e+00 3.36 -1.872437881e+00 -1.872437881e+00 3.38 -1.769619286e+00 -1.769619286e+00 3.40 -1.669695804e+00 -1.669695804e+00 3.42 -1.572941078e+00 -1.572941078e+00 3.44 -1.479613777e+00 -1.479613777e+00 3.46 -1.389954474e+00 -1.389954474e+00 3.48 -1.304181230e+00 -1.304181230e+00 3.50 -1.222483710e+00 -1.222483710e+00 3.52 -1.145016263e+00 -1.145016263e+00 3.54 -1.071890861e+00 -1.071890861e+00 3.56 -1.003171018e+00 -1.003171018e+00 3.58 -9.388677488e-01 -9.388677488e-01 3.60 -8.789382710e-01 -8.789382710e-01 3.62 -8.232877379e-01 -8.232877379e-01 3.64 -7.717738001e-01 -7.717738001e-01 3.66 -7.242134319e-01 -7.242134319e-01 3.68 -6.803912650e-01 -6.803912650e-01 3.70 -6.400685659e-01 -6.400685659e-01 3.72 -6.029920745e-01 -6.029920745e-01 3.74 -5.689021518e-01 -5.689021518e-01 3.76 -5.375397044e-01 -5.375397044e-01 3.78 -5.086522840e-01 -5.086522840e-01 3.80 -4.819982785e-01 -4.819982785e-01 3.82 -4.573499710e-01 -4.573499710e-01 3.84 -4.344956076e-01 -4.344956076e-01 3.86 -4.132405492e-01 -4.132405492e-01 3.88 -3.934077271e-01 -3.934077271e-01 3.90 -3.748376015e-01 -3.748376015e-01 3.92 -3.573877977e-01 -3.573877977e-01 3.94 -3.409325562e-01 -3.409325562e-01 3.96 -3.253620913e-01 -3.253620913e-01 3.98 -3.105819159e-01 -3.105819159e-01 4.00 -2.965121405e-01 -2.965121405e-01 4.02 -2.830867226e-01 -2.830867226e-01 4.04 -2.702526119e-01 -2.702526119e-01 4.06 -2.579687164e-01 -2.579687164e-01 4.08 -2.462046231e-01 -2.462046231e-01 4.10 -2.349390262e-01 -2.349390262e-01 4.12 -2.241578675e-01 -2.241578675e-01 4.14 -2.138522432e-01 -2.138522432e-01 4.16 -2.040162096e-01 -2.040162096e-01 4.18 -1.946446461e-01 -1.946446461e-01 4.20 -1.857313622e-01 -1.857313622e-01 4.22 -1.772676061e-01 -1.772676061e-01 4.24 -1.692410819e-01 -1.692410819e-01 4.26 -1.616355049e-01 -1.616355049e-01 4.28 -1.544306546e-01 -1.544306546e-01 4.30 -1.476028268e-01 -1.476028268e-01 4.32 -1.411255305e-01 -1.411255305e-01 4.34 -1.349701398e-01 -1.349701398e-01 4.36 -1.291073740e-01 -1.291073740e-01 4.38 -1.235077312e-01 -1.235077312e-01 4.40 -1.181420755e-01 -1.181420755e-01 4.42 -1.129822391e-01 -1.129822391e-01 4.44 -1.080014826e-01 -1.080014826e-01 4.46 -1.031748419e-01 -1.031748419e-01 4.48 -9.847939068e-02 -9.847939068e-02 4.50 -9.389445342e-02 -9.389445342e-02 4.52 -8.940179655e-02 -8.940179655e-02 4.54 -8.498581814e-02 -8.498581814e-02 4.56 -8.063374821e-02 -8.063374821e-02 4.58 -7.633586064e-02 -7.633586064e-02 4.60 -7.208568653e-02 -7.208568653e-02 4.62 -6.788020825e-02 -6.788020825e-02 4.64 -6.372000377e-02 -6.372000377e-02 4.66 -5.960930389e-02 -5.960930389e-02 4.68 -5.555592285e-02 -5.555592285e-02 4.70 -5.157102615e-02 -5.157102615e-02 4.72 -4.766871024e-02 -4.766871024e-02 4.74 -4.386538679e-02 -4.386538679e-02 4.76 -4.017898761e-02 -4.017898761e-02 4.78 -3.662803182e-02 -3.662803182e-02 4.80 -3.323062047e-02 -3.323062047e-02 4.82 -3.000344171e-02 -3.000344171e-02 4.84 -2.696086350e-02 -2.696086350e-02 4.86 -2.411420449e-02 -2.411420449e-02 4.88 -2.147123300e-02 -2.147123300e-02 4.90 -1.903592280e-02 -1.903592280e-02 4.92 -1.680846466e-02 -1.680846466e-02 4.94 -1.478498739e-02 -1.478498739e-02 4.96 -1.295899478e-02 -1.295899478e-02 4.98 -1.132185766e-02 -1.132185766e-02 5.00 -9.862782585e-03 -9.862782585e-03 5.02 -8.569469844e-03 -8.569469844e-03 5.04 -7.428722863e-03 -7.428722863e-03 5.06 -6.426979546e-03 -6.426979546e-03 5.08 -5.550750242e-03 -5.550750242e-03 5.10 -4.786958710e-03 -4.786958710e-03 5.12 -4.123190936e-03 -4.123190936e-03 5.14 -3.547862000e-03 -3.547862000e-03 5.16 -3.050313955e-03 -3.050313955e-03 5.18 -2.620858409e-03 -2.620858409e-03 5.20 -2.250776850e-03 -2.250776850e-03 5.22 -1.932290348e-03 -1.932290348e-03 5.24 -1.658508426e-03 -1.658508426e-03 5.26 -1.423365005e-03 -1.423365005e-03 5.28 -1.221547546e-03 -1.221547546e-03 5.30 -1.048423957e-03 -1.048423957e-03 5.32 -8.999704855e-04 -8.999704855e-04 5.34 -7.727027996e-04 -7.727027996e-04 5.36 -6.636116289e-04 -6.636116289e-04 5.38 -5.701037068e-04 -5.701037068e-04 5.40 -4.899483346e-04 -4.899483346e-04 5.42 -4.212295612e-04 -4.212295612e-04 5.44 -3.623037699e-04 -3.623037699e-04 5.46 -3.117623353e-04 -3.117623353e-04 5.48 -2.683989400e-04 -2.683989400e-04 5.50 -2.311811115e-04 -2.311811115e-04 5.52 -1.992255349e-04 -1.992255349e-04 5.54 -1.717767134e-04 -1.717767134e-04 5.56 -1.481885737e-04 -1.481885737e-04 5.58 -1.279086469e-04 -1.279086469e-04 5.60 -1.104644889e-04 -1.104644889e-04 5.62 -9.545204330e-05 -9.545204330e-05 5.64 -8.252567894e-05 -8.252567894e-05 5.66 -7.138967106e-05 -7.138967106e-05 5.68 -6.179092203e-05 -6.179092203e-05 5.70 -5.351274486e-05 -5.351274486e-05 5.72 -4.636955667e-05 -4.636955667e-05 5.74 -4.020235015e-05 -4.020235015e-05 5.76 -3.487482960e-05 -3.487482960e-05 5.78 -3.027011427e-05 -3.027011427e-05 5.80 -2.628792558e-05 -2.628792558e-05 5.82 -2.284218704e-05 -2.284218704e-05 5.84 -1.985897586e-05 -1.985897586e-05 5.86 -1.727477438e-05 -1.727477438e-05 5.88 -1.503497708e-05 -1.503497708e-05 5.90 -1.309261524e-05 -1.309261524e-05 5.92 -1.140726735e-05 -1.140726735e-05 5.94 -9.944127669e-06 -9.944127669e-06 5.96 -8.673209781e-06 -8.673209781e-06 5.98 -7.568665185e-06 -7.568665185e-06 6.00 -6.608200125e-06 -6.608200125e-06