# 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 = Cu2FeNi # 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 1.174740676e+02 1.174740676e+02 1.30 1.073642628e+02 1.073642628e+02 1.32 9.808882515e+01 9.808882515e+01 1.34 8.956794765e+01 8.956794765e+01 1.36 8.173319570e+01 8.173319570e+01 1.38 7.452706365e+01 7.452706365e+01 1.40 6.790035397e+01 6.790035397e+01 1.42 6.180957243e+01 6.180957243e+01 1.44 5.621498181e+01 5.621498181e+01 1.46 5.107917227e+01 5.107917227e+01 1.48 4.636622702e+01 4.636622702e+01 1.50 4.204169754e+01 4.204169754e+01 1.52 3.807325030e+01 3.807325030e+01 1.54 3.443129901e+01 3.443129901e+01 1.56 3.108893367e+01 3.108893367e+01 1.58 2.802168386e+01 2.802168386e+01 1.60 2.520710740e+01 2.520710740e+01 1.62 2.262496455e+01 2.262496455e+01 1.64 2.025737095e+01 2.025737095e+01 1.66 1.808835231e+01 1.808835231e+01 1.68 1.610316136e+01 1.610316136e+01 1.70 1.428756534e+01 1.428756534e+01 1.72 1.262740148e+01 1.262740148e+01 1.74 1.110856509e+01 1.110856509e+01 1.76 9.717416972e+00 9.717416972e+00 1.78 8.441401145e+00 8.441401145e+00 1.80 7.269571489e+00 7.269571489e+00 1.82 6.192803802e+00 6.192803802e+00 1.84 5.203640849e+00 5.203640849e+00 1.86 4.295878242e+00 4.295878242e+00 1.88 3.464079900e+00 3.464079900e+00 1.90 2.703187441e+00 2.703187441e+00 1.92 2.008298778e+00 2.008298778e+00 1.94 1.374607394e+00 1.374607394e+00 1.96 7.974476538e-01 7.974476538e-01 1.98 2.723793184e-01 2.723793184e-01 2.00 -2.047422095e-01 -2.047422095e-01 2.02 -6.377332489e-01 -6.377332489e-01 2.04 -1.030081522e+00 -1.030081522e+00 2.06 -1.384961688e+00 -1.384961688e+00 2.08 -1.705255434e+00 -1.705255434e+00 2.10 -1.993574064e+00 -1.993574064e+00 2.12 -2.252286249e+00 -2.252286249e+00 2.14 -2.483553257e+00 -2.483553257e+00 2.16 -2.689371284e+00 -2.689371284e+00 2.18 -2.871617323e+00 -2.871617323e+00 2.20 -3.032092269e+00 -3.032092269e+00 2.22 -3.172554255e+00 -3.172554255e+00 2.24 -3.294738003e+00 -3.294738003e+00 2.26 -3.400361503e+00 -3.400361503e+00 2.28 -3.491124608e+00 -3.491124608e+00 2.30 -3.568701191e+00 -3.568701191e+00 2.32 -3.634715679e+00 -3.634715679e+00 2.34 -3.690700347e+00 -3.690700347e+00 2.36 -3.738034801e+00 -3.738034801e+00 2.38 -3.777880527e+00 -3.777880527e+00 2.40 -3.811141233e+00 -3.811141233e+00 2.42 -3.838466173e+00 -3.838466173e+00 2.44 -3.860261586e+00 -3.860261586e+00 2.46 -3.876799392e+00 -3.876799392e+00 2.48 -3.888470755e+00 -3.888470755e+00 2.50 -3.894803941e+00 -3.894803941e+00 2.52 -3.895417862e+00 -3.895417862e+00 2.54 -3.890087711e+00 -3.890087711e+00 2.56 -3.878717390e+00 -3.878717390e+00 2.58 -3.861314624e+00 -3.861314624e+00 2.60 -3.837936513e+00 -3.837936513e+00 2.62 -3.808661236e+00 -3.808661236e+00 2.64 -3.773691978e+00 -3.773691978e+00 2.66 -3.733313279e+00 -3.733313279e+00 2.68 -3.687885986e+00 -3.687885986e+00 2.70 -3.637846199e+00 -3.637846199e+00 2.72 -3.583696806e+00 -3.583696806e+00 2.74 -3.525988402e+00 -3.525988402e+00 2.76 -3.465290309e+00 -3.465290309e+00 2.78 -3.402156879e+00 -3.402156879e+00 2.80 -3.337096812e+00 -3.337096812e+00 2.82 -3.270552428e+00 -3.270552428e+00 2.84 -3.202892016e+00 -3.202892016e+00 2.86 -3.134413833e+00 -3.134413833e+00 2.88 -3.065357251e+00 -3.065357251e+00 2.90 -2.995916033e+00 -2.995916033e+00 2.92 -2.926250089e+00 -2.926250089e+00 2.94 -2.856494080e+00 -2.856494080e+00 2.96 -2.786762903e+00 -2.786762903e+00 2.98 -2.717154917e+00 -2.717154917e+00 3.00 -2.647753960e+00 -2.647753960e+00 3.02 -2.578630981e+00 -2.578630981e+00 3.04 -2.509845797e+00 -2.509845797e+00 3.06 -2.441449215e+00 -2.441449215e+00 3.08 -2.373485607e+00 -2.373485607e+00 3.10 -2.305995887e+00 -2.305995887e+00 3.12 -2.239020834e+00 -2.239020834e+00 3.14 -2.172604576e+00 -2.172604576e+00 3.16 -2.106798039e+00 -2.106798039e+00 3.18 -2.041662064e+00 -2.041662064e+00 3.20 -1.977269802e+00 -1.977269802e+00 3.22 -1.913708024e+00 -1.913708024e+00 3.24 -1.851076954e+00 -1.851076954e+00 3.26 -1.789488399e+00 -1.789488399e+00 3.28 -1.729062122e+00 -1.729062122e+00 3.30 -1.669920675e+00 -1.669920675e+00 3.32 -1.612183170e+00 -1.612183170e+00 3.34 -1.555958679e+00 -1.555958679e+00 3.36 -1.501340016e+00 -1.501340016e+00 3.38 -1.448398646e+00 -1.448398646e+00 3.40 -1.397181224e+00 -1.397181224e+00 3.42 -1.347708054e+00 -1.347708054e+00 3.44 -1.299973412e+00 -1.299973412e+00 3.46 -1.253947494e+00 -1.253947494e+00 3.48 -1.209579549e+00 -1.209579549e+00 3.50 -1.166801740e+00 -1.166801740e+00 3.52 -1.125533279e+00 -1.125533279e+00 3.54 -1.085684496e+00 -1.085684496e+00 3.56 -1.047160590e+00 -1.047160590e+00 3.58 -1.009864955e+00 -1.009864955e+00 3.60 -9.737020497e-01 -9.737020497e-01 3.62 -9.385798735e-01 -9.385798735e-01 3.64 -9.044121458e-01 -9.044121458e-01 3.66 -8.711203133e-01 -8.711203133e-01 3.68 -8.386354829e-01 -8.386354829e-01 3.70 -8.069003368e-01 -8.069003368e-01 3.72 -7.758710024e-01 -7.758710024e-01 3.74 -7.455187528e-01 -7.455187528e-01 3.76 -7.158313094e-01 -7.158313094e-01 3.78 -6.868134353e-01 -6.868134353e-01 3.80 -6.584864773e-01 -6.584864773e-01 3.82 -6.308865668e-01 -6.308865668e-01 3.84 -6.040613413e-01 -6.040613413e-01 3.86 -5.780652794e-01 -5.780652794e-01 3.88 -5.529540234e-01 -5.529540234e-01 3.90 -5.287783038e-01 -5.287783038e-01 3.92 -5.055782201e-01 -5.055782201e-01 3.94 -4.833786090e-01 -4.833786090e-01 3.96 -4.621860451e-01 -4.621860451e-01 3.98 -4.419877264e-01 -4.419877264e-01 4.00 -4.227521691e-01 -4.227521691e-01 4.02 -4.044313687e-01 -4.044313687e-01 4.04 -3.869639322e-01 -3.869639322e-01 4.06 -3.702786547e-01 -3.702786547e-01 4.08 -3.542980914e-01 -3.542980914e-01 4.10 -3.389418092e-01 -3.389418092e-01 4.12 -3.241291530e-01 -3.241291530e-01 4.14 -3.097814885e-01 -3.097814885e-01 4.16 -2.958239822e-01 -2.958239822e-01 4.18 -2.821870284e-01 -2.821870284e-01 4.20 -2.688074549e-01 -2.688074549e-01 4.22 -2.556296282e-01 -2.556296282e-01 4.24 -2.426065487e-01 -2.426065487e-01 4.26 -2.297009862e-01 -2.297009862e-01 4.28 -2.168866499e-01 -2.168866499e-01 4.30 -2.041493340e-01 -2.041493340e-01 4.32 -1.914879222e-01 -1.914879222e-01 4.34 -1.789150889e-01 -1.789150889e-01 4.36 -1.664575049e-01 -1.664575049e-01 4.38 -1.541553574e-01 -1.541553574e-01 4.40 -1.420610295e-01 -1.420610295e-01 4.42 -1.302368642e-01 -1.302368642e-01 4.44 -1.187520506e-01 -1.187520506e-01 4.46 -1.076788040e-01 -1.076788040e-01 4.48 -9.708813512e-02 -9.708813512e-02 4.50 -8.704559716e-02 -8.704559716e-02 4.52 -7.760742780e-02 -7.760742780e-02 4.54 -6.881746581e-02 -6.881746581e-02 4.56 -6.070511428e-02 -6.070511428e-02 4.58 -5.328448294e-02 -5.328448294e-02 4.60 -4.655467875e-02 -4.655467875e-02 4.62 -4.050108144e-02 -4.050108144e-02 4.64 -3.509717466e-02 -3.509717466e-02 4.66 -3.030714787e-02 -3.030714787e-02 4.68 -2.608892873e-02 -2.608892873e-02 4.70 -2.239613103e-02 -2.239613103e-02 4.72 -1.917977145e-02 -1.917977145e-02 4.74 -1.639132652e-02 -1.639132652e-02 4.76 -1.398405361e-02 -1.398405361e-02 4.78 -1.191337640e-02 -1.191337640e-02 4.80 -1.013772590e-02 -1.013772590e-02 4.82 -8.619028278e-03 -8.619028278e-03 4.84 -7.322917125e-03 -7.322917125e-03 4.86 -6.218743129e-03 -6.218743129e-03 4.88 -5.279442078e-03 -5.279442078e-03 4.90 -4.481311516e-03 -4.481311516e-03 4.92 -3.803734711e-03 -3.803734711e-03 4.94 -3.228880590e-03 -3.228880590e-03 4.96 -2.741399929e-03 -2.741399929e-03 4.98 -2.328131386e-03 -2.328131386e-03 5.00 -1.977825884e-03 -1.977825884e-03 5.02 -1.680894064e-03 -1.680894064e-03 5.04 -1.429178892e-03 -1.429178892e-03 5.06 -1.215753637e-03 -1.215753637e-03 5.08 -1.034744323e-03 -1.034744323e-03 5.10 -8.811749855e-04 -8.811749855e-04 5.12 -7.508337408e-04 -7.508337408e-04 5.14 -6.401575025e-04 -6.401575025e-04 5.16 -5.461331978e-04 -5.461331978e-04 5.18 -4.662134286e-04 -4.662134286e-04 5.20 -3.982446782e-04 -3.982446782e-04 5.22 -3.404063436e-04 -3.404063436e-04 5.24 -2.911590586e-04 -2.911590586e-04 5.26 -2.492009602e-04 -2.492009602e-04 5.28 -2.134307179e-04 -2.134307179e-04 5.30 -1.829163106e-04 -1.829163106e-04 5.32 -1.568686738e-04 -1.568686738e-04 5.34 -1.346194672e-04 -1.346194672e-04 5.36 -1.156023247e-04 -1.156023247e-04 5.38 -9.933704299e-05 -9.933704299e-05 5.40 -8.541624840e-05 -8.541624840e-05 5.42 -7.349415282e-05 -7.349415282e-05 5.44 -6.327706951e-05 -6.327706951e-05 5.46 -5.451541133e-05 -5.451541133e-05 5.48 -4.699693752e-05 -4.699693752e-05 5.50 -4.054105207e-05 -4.054105207e-05 5.52 -3.499398786e-05 -3.499398786e-05 5.54 -3.022473713e-05 -3.022473713e-05 5.56 -2.612161088e-05 -2.612161088e-05 5.58 -2.258932838e-05 -2.258932838e-05 5.60 -1.954655398e-05 -1.954655398e-05 5.62 -1.692381108e-05 -1.692381108e-05 5.64 -1.466171458e-05 -1.466171458e-05 5.66 -1.270947229e-05 -1.270947229e-05 5.68 -1.102361351e-05 -1.102361351e-05 5.70 -9.566909831e-06 -9.566909831e-06 5.72 -8.307458376e-06 -8.307458376e-06 5.74 -7.217902603e-06 -7.217902603e-06 5.76 -6.274769620e-06 -6.274769620e-06 5.78 -5.457906199e-06 -5.457906199e-06 5.80 -4.749998515e-06 -4.749998515e-06 5.82 -4.136162896e-06 -4.136162896e-06 5.84 -3.603596873e-06 -3.603596873e-06 5.86 -3.141281457e-06 -3.141281457e-06 5.88 -2.739726953e-06 -2.739726953e-06 5.90 -2.390755820e-06 -2.390755820e-06 5.92 -2.087317048e-06 -2.087317048e-06 5.94 -1.823327389e-06 -1.823327389e-06 5.96 -1.593535462e-06 -1.593535462e-06 5.98 -1.393405378e-06 -1.393405378e-06 6.00 -1.219017003e-06 -1.219017003e-06