# 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 = CuFe2Ni # 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 1.398454020e+02 1.398454020e+02 1.30 1.274485798e+02 1.274485798e+02 1.32 1.161021132e+02 1.161021132e+02 1.34 1.057045042e+02 1.057045042e+02 1.36 9.616869565e+01 9.616869565e+01 1.38 8.742106272e+01 8.742106272e+01 1.40 7.939823027e+01 7.939823027e+01 1.42 7.204395458e+01 7.204395458e+01 1.44 6.530699345e+01 6.530699345e+01 1.46 5.913980111e+01 5.913980111e+01 1.48 5.349776762e+01 5.349776762e+01 1.50 4.833891809e+01 4.833891809e+01 1.52 4.362399390e+01 4.362399390e+01 1.54 3.931659915e+01 3.931659915e+01 1.56 3.538306550e+01 3.538306550e+01 1.58 3.179197178e+01 3.179197178e+01 1.60 2.851406918e+01 2.851406918e+01 1.62 2.552256888e+01 2.552256888e+01 1.64 2.279299732e+01 2.279299732e+01 1.66 2.030315653e+01 2.030315653e+01 1.68 1.803263077e+01 1.803263077e+01 1.70 1.596230842e+01 1.596230842e+01 1.72 1.407407767e+01 1.407407767e+01 1.74 1.235080734e+01 1.235080734e+01 1.76 1.077660561e+01 1.077660561e+01 1.78 9.337200288e+00 9.337200288e+00 1.80 8.020214439e+00 8.020214439e+00 1.82 6.815182107e+00 6.815182107e+00 1.84 5.713293687e+00 5.713293687e+00 1.86 4.706977189e+00 4.706977189e+00 1.88 3.789461865e+00 3.789461865e+00 1.90 2.954435042e+00 2.954435042e+00 1.92 2.195833134e+00 2.195833134e+00 1.94 1.507753543e+00 1.507753543e+00 1.96 8.844523498e-01 8.844523498e-01 1.98 3.203911631e-01 3.203911631e-01 2.00 -1.896961773e-01 -1.896961773e-01 2.02 -6.507349955e-01 -6.507349955e-01 2.04 -1.067248310e+00 -1.067248310e+00 2.06 -1.443310278e+00 -1.443310278e+00 2.08 -1.782524786e+00 -1.782524786e+00 2.10 -2.088037427e+00 -2.088037427e+00 2.12 -2.362580828e+00 -2.362580828e+00 2.14 -2.608544201e+00 -2.608544201e+00 2.16 -2.828053443e+00 -2.828053443e+00 2.18 -3.023048763e+00 -3.023048763e+00 2.20 -3.195350149e+00 -3.195350149e+00 2.22 -3.346704835e+00 -3.346704835e+00 2.24 -3.478815109e+00 -3.478815109e+00 2.26 -3.593349261e+00 -3.593349261e+00 2.28 -3.691941244e+00 -3.691941244e+00 2.30 -3.776182960e+00 -3.776182960e+00 2.32 -3.847607911e+00 -3.847607911e+00 2.34 -3.907661837e+00 -3.907661837e+00 2.36 -3.957658041e+00 -3.957658041e+00 2.38 -3.998737699e+00 -3.998737699e+00 2.40 -4.031841823e+00 -4.031841823e+00 2.42 -4.057711293e+00 -4.057711293e+00 2.44 -4.076923374e+00 -4.076923374e+00 2.46 -4.089998562e+00 -4.089998562e+00 2.48 -4.097399099e+00 -4.097399099e+00 2.50 -4.098953745e+00 -4.098953745e+00 2.52 -4.094544574e+00 -4.094544574e+00 2.54 -4.084166019e+00 -4.084166019e+00 2.56 -4.067907634e+00 -4.067907634e+00 2.58 -4.045916360e+00 -4.045916360e+00 2.60 -4.018176075e+00 -4.018176075e+00 2.62 -3.984648397e+00 -3.984648397e+00 2.64 -3.945409684e+00 -3.945409684e+00 2.66 -3.900616564e+00 -3.900616564e+00 2.68 -3.850498547e+00 -3.850498547e+00 2.70 -3.795354109e+00 -3.795354109e+00 2.72 -3.735545662e+00 -3.735545662e+00 2.74 -3.671490043e+00 -3.671490043e+00 2.76 -3.603643424e+00 -3.603643424e+00 2.78 -3.532482341e+00 -3.532482341e+00 2.80 -3.458484624e+00 -3.458484624e+00 2.82 -3.382114008e+00 -3.382114008e+00 2.84 -3.303810259e+00 -3.303810259e+00 2.86 -3.223984030e+00 -3.223984030e+00 2.88 -3.143014068e+00 -3.143014068e+00 2.90 -3.061244425e+00 -3.061244425e+00 2.92 -2.978980669e+00 -2.978980669e+00 2.94 -2.896485572e+00 -2.896485572e+00 2.96 -2.813975608e+00 -2.813975608e+00 2.98 -2.731619663e+00 -2.731619663e+00 3.00 -2.649540754e+00 -2.649540754e+00 3.02 -2.567820884e+00 -2.567820884e+00 3.04 -2.486508568e+00 -2.486508568e+00 3.06 -2.405628287e+00 -2.405628287e+00 3.08 -2.325191088e+00 -2.325191088e+00 3.10 -2.245205628e+00 -2.245205628e+00 3.12 -2.165689052e+00 -2.165689052e+00 3.14 -2.086677186e+00 -2.086677186e+00 3.16 -2.008233459e+00 -2.008233459e+00 3.18 -1.930455942e+00 -1.930455942e+00 3.20 -1.853481816e+00 -1.853481816e+00 3.22 -1.777488540e+00 -1.777488540e+00 3.24 -1.702691173e+00 -1.702691173e+00 3.26 -1.629335561e+00 -1.629335561e+00 3.28 -1.557687599e+00 -1.557687599e+00 3.30 -1.488019343e+00 -1.488019343e+00 3.32 -1.420593308e+00 -1.420593308e+00 3.34 -1.355646685e+00 -1.355646685e+00 3.36 -1.293377273e+00 -1.293377273e+00 3.38 -1.233932728e+00 -1.233932728e+00 3.40 -1.177404148e+00 -1.177404148e+00 3.42 -1.123824361e+00 -1.123824361e+00 3.44 -1.073170583e+00 -1.073170583e+00 3.46 -1.025370564e+00 -1.025370564e+00 3.48 -9.803110776e-01 -9.803110776e-01 3.50 -9.378475327e-01 -9.378475327e-01 3.52 -8.978136445e-01 -8.978136445e-01 3.54 -8.600303665e-01 -8.600303665e-01 3.56 -8.243135948e-01 -8.243135948e-01 3.58 -7.904804318e-01 -7.904804318e-01 3.60 -7.583540270e-01 -7.583540270e-01 3.62 -7.277671567e-01 -7.277671567e-01 3.64 -6.985647869e-01 -6.985647869e-01 3.66 -6.706058836e-01 -6.706058836e-01 3.68 -6.437647086e-01 -6.437647086e-01 3.70 -6.179317826e-01 -6.179317826e-01 3.72 -5.930146136e-01 -5.930146136e-01 3.74 -5.689382001e-01 -5.689382001e-01 3.76 -5.456452253e-01 -5.456452253e-01 3.78 -5.230957846e-01 -5.230957846e-01 3.80 -5.012664530e-01 -5.012664530e-01 3.82 -4.801485147e-01 -4.801485147e-01 3.84 -4.597452645e-01 -4.597452645e-01 3.86 -4.400684334e-01 -4.400684334e-01 3.88 -4.211339685e-01 -4.211339685e-01 3.90 -4.029575635e-01 -4.029575635e-01 3.92 -3.855504328e-01 -3.855504328e-01 3.94 -3.689158205e-01 -3.689158205e-01 3.96 -3.530466197e-01 -3.530466197e-01 3.98 -3.379242861e-01 -3.379242861e-01 4.00 -3.235190059e-01 -3.235190059e-01 4.02 -3.097908968e-01 -3.097908968e-01 4.04 -2.966919109e-01 -2.966919109e-01 4.06 -2.841679205e-01 -2.841679205e-01 4.08 -2.721609826e-01 -2.721609826e-01 4.10 -2.606121979e-01 -2.606121979e-01 4.12 -2.494628227e-01 -2.494628227e-01 4.14 -2.386555236e-01 -2.386555236e-01 4.16 -2.281356012e-01 -2.281356012e-01 4.18 -2.178519479e-01 -2.178519479e-01 4.20 -2.077578470e-01 -2.077578470e-01 4.22 -1.978117113e-01 -1.978117113e-01 4.24 -1.879778364e-01 -1.879778364e-01 4.26 -1.782272113e-01 -1.782272113e-01 4.28 -1.685383953e-01 -1.685383953e-01 4.30 -1.588984229e-01 -1.588984229e-01 4.32 -1.493036644e-01 -1.493036644e-01 4.34 -1.397605242e-01 -1.397605242e-01 4.36 -1.302858367e-01 -1.302858367e-01 4.38 -1.209068061e-01 -1.209068061e-01 4.40 -1.116603518e-01 -1.116603518e-01 4.42 -1.025917679e-01 -1.025917679e-01 4.44 -9.375267791e-02 -9.375267791e-02 4.46 -8.519836466e-02 -8.519836466e-02 4.48 -7.698465690e-02 -7.698465690e-02 4.50 -6.916464066e-02 -6.916464066e-02 4.52 -6.178551340e-02 -6.178551340e-02 4.54 -5.488589668e-02 -5.488589668e-02 4.56 -4.849386668e-02 -4.849386668e-02 4.58 -4.262586207e-02 -4.262586207e-02 4.60 -3.728650758e-02 -3.728650758e-02 4.62 -3.246927395e-02 -3.246927395e-02 4.64 -2.815780625e-02 -2.815780625e-02 4.66 -2.432768787e-02 -2.432768787e-02 4.68 -2.094843158e-02 -2.094843158e-02 4.70 -1.798547464e-02 -1.798547464e-02 4.72 -1.540175167e-02 -1.540175167e-02 4.74 -1.315917157e-02 -1.315917157e-02 4.76 -1.122161032e-02 -1.122161032e-02 4.78 -9.554257505e-03 -9.554257505e-03 4.80 -8.124295432e-03 -8.124295432e-03 4.82 -6.901428050e-03 -6.901428050e-03 4.84 -5.858152472e-03 -5.858152472e-03 4.86 -4.969838597e-03 -4.969838597e-03 4.88 -4.214672661e-03 -4.214672661e-03 4.90 -3.573510799e-03 -3.573510799e-03 4.92 -3.029678327e-03 -3.029678327e-03 4.94 -2.568741364e-03 -2.568741364e-03 4.96 -2.178269771e-03 -2.178269771e-03 4.98 -1.847604281e-03 -1.847604281e-03 5.00 -1.567636010e-03 -1.567636010e-03 5.02 -1.330603119e-03 -1.330603119e-03 5.04 -1.129906900e-03 -1.129906900e-03 5.06 -9.599479096e-04 -9.599479096e-04 5.08 -8.159816652e-04 -8.159816652e-04 5.10 -6.939927180e-04 -6.939927180e-04 5.12 -5.905855930e-04 -5.905855930e-04 5.14 -5.028908877e-04 -5.028908877e-04 5.16 -4.284848140e-04 -4.284848140e-04 5.18 -3.653205280e-04 -3.653205280e-04 5.20 -3.116697036e-04 -3.116697036e-04 5.22 -2.660729490e-04 -2.660729490e-04 5.24 -2.272978133e-04 -2.272978133e-04 5.26 -1.943032781e-04 -1.943032781e-04 5.28 -1.662097709e-04 -1.662097709e-04 5.30 -1.422738655e-04 -1.422738655e-04 5.32 -1.218669516e-04 -1.218669516e-04 5.34 -1.044572609e-04 -1.044572609e-04 5.36 -8.959472508e-05 -8.959472508e-05 5.38 -7.689822268e-05 -7.689822268e-05 5.40 -6.604483741e-05 -6.604483741e-05 5.42 -5.676081069e-05 -5.676081069e-05 5.44 -4.881391960e-05 -4.881391960e-05 5.46 -4.200705413e-05 -4.200705413e-05 5.48 -3.617280327e-05 -3.617280327e-05 5.50 -3.116888982e-05 -3.116888982e-05 5.52 -2.687431919e-05 -2.687431919e-05 5.54 -2.318612906e-05 -2.318612906e-05 5.56 -2.001664475e-05 -2.001664475e-05 5.58 -1.729116038e-05 -1.729116038e-05 5.60 -1.494597869e-05 -1.494597869e-05 5.62 -1.292675310e-05 -1.292675310e-05 5.64 -1.118708465e-05 -1.118708465e-05 5.66 -9.687333689e-06 -9.687333689e-06 5.68 -8.393613149e-06 -8.393613149e-06 5.70 -7.276934817e-06 -7.276934817e-06 5.72 -6.312485092e-06 -6.312485092e-06 5.74 -5.479010114e-06 -5.479010114e-06 5.76 -4.758293428e-06 -4.758293428e-06 5.78 -4.134711968e-06 -4.134711968e-06 5.80 -3.594858390e-06 -3.594858390e-06 5.82 -3.127219608e-06 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