# 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 = Ag2CuFe # 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 1.994988753e+02 1.994988753e+02 1.30 1.835801370e+02 1.835801370e+02 1.32 1.689191834e+02 1.689191834e+02 1.34 1.554089638e+02 1.554089638e+02 1.36 1.429534843e+02 1.429534843e+02 1.38 1.314668460e+02 1.314668460e+02 1.40 1.208716995e+02 1.208716995e+02 1.42 1.110977538e+02 1.110977538e+02 1.44 1.020805293e+02 1.020805293e+02 1.46 9.376043286e+01 9.376043286e+01 1.48 8.608233391e+01 8.608233391e+01 1.50 7.899558584e+01 7.899558584e+01 1.52 7.245403279e+01 7.245403279e+01 1.54 6.641559701e+01 6.641559701e+01 1.56 6.084156580e+01 6.084156580e+01 1.58 5.569600114e+01 5.569600114e+01 1.60 5.094553799e+01 5.094553799e+01 1.62 4.656194919e+01 4.656194919e+01 1.64 4.251790565e+01 4.251790565e+01 1.66 3.878710703e+01 3.878710703e+01 1.68 3.534527119e+01 3.534527119e+01 1.70 3.216997154e+01 3.216997154e+01 1.72 2.924054089e+01 2.924054089e+01 1.74 2.653796279e+01 2.653796279e+01 1.76 2.404473545e+01 2.404473545e+01 1.78 2.174475701e+01 2.174475701e+01 1.80 1.962326212e+01 1.962326212e+01 1.82 1.766678070e+01 1.766678070e+01 1.84 1.586306206e+01 1.586306206e+01 1.86 1.420093601e+01 1.420093601e+01 1.88 1.267012999e+01 1.267012999e+01 1.90 1.126108306e+01 1.126108306e+01 1.92 9.964792523e+00 9.964792523e+00 1.94 8.772715263e+00 8.772715263e+00 1.96 7.676733150e+00 7.676733150e+00 1.98 6.669175553e+00 6.669175553e+00 2.00 5.742877123e+00 5.742877123e+00 2.02 4.891241552e+00 4.891241552e+00 2.04 4.108283252e+00 4.108283252e+00 2.06 3.388627514e+00 3.388627514e+00 2.08 2.727465593e+00 2.727465593e+00 2.10 2.120478162e+00 2.120478162e+00 2.12 1.563748586e+00 1.563748586e+00 2.14 1.053684067e+00 1.053684067e+00 2.16 5.869542089e-01 5.869542089e-01 2.18 1.604492297e-01 1.604492297e-01 2.20 -2.287445994e-01 -2.287445994e-01 2.22 -5.833574302e-01 -5.833574302e-01 2.24 -9.059426562e-01 -9.059426562e-01 2.26 -1.198883994e+00 -1.198883994e+00 2.28 -1.464405961e+00 -1.464405961e+00 2.30 -1.704586425e+00 -1.704586425e+00 2.32 -1.921366289e+00 -1.921366289e+00 2.34 -2.116551623e+00 -2.116551623e+00 2.36 -2.291808555e+00 -2.291808555e+00 2.38 -2.448657031e+00 -2.448657031e+00 2.40 -2.588471373e+00 -2.588471373e+00 2.42 -2.712491879e+00 -2.712491879e+00 2.44 -2.821845872e+00 -2.821845872e+00 2.46 -2.917572807e+00 -2.917572807e+00 2.48 -3.000647775e+00 -3.000647775e+00 2.50 -3.072008553e+00 -3.072008553e+00 2.52 -3.132794014e+00 -3.132794014e+00 2.54 -3.183741123e+00 -3.183741123e+00 2.56 -3.225401325e+00 -3.225401325e+00 2.58 -3.258351658e+00 -3.258351658e+00 2.60 -3.283185698e+00 -3.283185698e+00 2.62 -3.300502226e+00 -3.300502226e+00 2.64 -3.310892148e+00 -3.310892148e+00 2.66 -3.314994512e+00 -3.314994512e+00 2.68 -3.313576003e+00 -3.313576003e+00 2.70 -3.306880828e+00 -3.306880828e+00 2.72 -3.295068509e+00 -3.295068509e+00 2.74 -3.278336373e+00 -3.278336373e+00 2.76 -3.256909358e+00 -3.256909358e+00 2.78 -3.231031183e+00 -3.231031183e+00 2.80 -3.200957912e+00 -3.200957912e+00 2.82 -3.166957577e+00 -3.166957577e+00 2.84 -3.129320019e+00 -3.129320019e+00 2.86 -3.088339568e+00 -3.088339568e+00 2.88 -3.044307783e+00 -3.044307783e+00 2.90 -2.997511152e+00 -2.997511152e+00 2.92 -2.948228145e+00 -2.948228145e+00 2.94 -2.896726545e+00 -2.896726545e+00 2.96 -2.843262003e+00 -2.843262003e+00 2.98 -2.788078325e+00 -2.788078325e+00 3.00 -2.731409261e+00 -2.731409261e+00 3.02 -2.673480950e+00 -2.673480950e+00 3.04 -2.614513810e+00 -2.614513810e+00 3.06 -2.554722803e+00 -2.554722803e+00 3.08 -2.494315593e+00 -2.494315593e+00 3.10 -2.433489032e+00 -2.433489032e+00 3.12 -2.372425176e+00 -2.372425176e+00 3.14 -2.311288374e+00 -2.311288374e+00 3.16 -2.250224631e+00 -2.250224631e+00 3.18 -2.189363703e+00 -2.189363703e+00 3.20 -2.128823382e+00 -2.128823382e+00 3.22 -2.068714808e+00 -2.068714808e+00 3.24 -2.009147416e+00 -2.009147416e+00 3.26 -1.950232354e+00 -1.950232354e+00 3.28 -1.892083691e+00 -1.892083691e+00 3.30 -1.834817326e+00 -1.834817326e+00 3.32 -1.778547960e+00 -1.778547960e+00 3.34 -1.723384855e+00 -1.723384855e+00 3.36 -1.669427210e+00 -1.669427210e+00 3.38 -1.616759942e+00 -1.616759942e+00 3.40 -1.565450480e+00 -1.565450480e+00 3.42 -1.515546902e+00 -1.515546902e+00 3.44 -1.467077496e+00 -1.467077496e+00 3.46 -1.420051597e+00 -1.420051597e+00 3.48 -1.374461399e+00 -1.374461399e+00 3.50 -1.330284406e+00 -1.330284406e+00 3.52 -1.287486173e+00 -1.287486173e+00 3.54 -1.246023072e+00 -1.246023072e+00 3.56 -1.205844893e+00 -1.205844893e+00 3.58 -1.166897168e+00 -1.166897168e+00 3.60 -1.129123194e+00 -1.129123194e+00 3.62 -1.092465774e+00 -1.092465774e+00 3.64 -1.056868728e+00 -1.056868728e+00 3.66 -1.022278233e+00 -1.022278233e+00 3.68 -9.886440570e-01 -9.886440570e-01 3.70 -9.559207017e-01 -9.559207017e-01 3.72 -9.240684523e-01 -9.240684523e-01 3.74 -8.930542705e-01 -8.930542705e-01 3.76 -8.628524306e-01 -8.628524306e-01 3.78 -8.334447669e-01 -8.334447669e-01 3.80 -8.048203974e-01 -8.048203974e-01 3.82 -7.769748280e-01 -7.769748280e-01 3.84 -7.499084230e-01 -7.499084230e-01 3.86 -7.236243355e-01 -7.236243355e-01 3.88 -6.981261075e-01 -6.981261075e-01 3.90 -6.734152336e-01 -6.734152336e-01 3.92 -6.494890014e-01 -6.494890014e-01 3.94 -6.263388855e-01 -6.263388855e-01 3.96 -6.039496477e-01 -6.039496477e-01 3.98 -5.822991922e-01 -5.822991922e-01 4.00 -5.613590796e-01 -5.613590796e-01 4.02 -5.410955383e-01 -5.410955383e-01 4.04 -5.214707780e-01 -5.214707780e-01 4.06 -5.024444260e-01 -5.024444260e-01 4.08 -4.839749509e-01 -4.839749509e-01 4.10 -4.660209880e-01 -4.660209880e-01 4.12 -4.485425464e-01 -4.485425464e-01 4.14 -4.315020630e-01 -4.315020630e-01 4.16 -4.148653658e-01 -4.148653658e-01 4.18 -3.986025274e-01 -3.986025274e-01 4.20 -3.826886337e-01 -3.826886337e-01 4.22 -3.671044503e-01 -3.671044503e-01 4.24 -3.518369598e-01 -3.518369598e-01 4.26 -3.368797212e-01 -3.368797212e-01 4.28 -3.222329961e-01 -3.222329961e-01 4.30 -3.079035867e-01 -3.079035867e-01 4.32 -2.939043464e-01 -2.939043464e-01 4.34 -2.802533460e-01 -2.802533460e-01 4.36 -2.669727132e-01 -2.669727132e-01 4.38 -2.540871943e-01 -2.540871943e-01 4.40 -2.416225192e-01 -2.416225192e-01 4.42 -2.296036717e-01 -2.296036717e-01 4.44 -2.180531825e-01 -2.180531825e-01 4.46 -2.069895620e-01 -2.069895620e-01 4.48 -1.964259840e-01 -1.964259840e-01 4.50 -1.863693132e-01 -1.863693132e-01 4.52 -1.768195381e-01 -1.768195381e-01 4.54 -1.677696373e-01 -1.677696373e-01 4.56 -1.592058654e-01 -1.592058654e-01 4.58 -1.511084027e-01 -1.511084027e-01 4.60 -1.434522882e-01 -1.434522882e-01 4.62 -1.362085429e-01 -1.362085429e-01 4.64 -1.293453731e-01 -1.293453731e-01 4.66 -1.228289765e-01 -1.228289765e-01 4.68 -1.166253447e-01 -1.166253447e-01 4.70 -1.107015383e-01 -1.107015383e-01 4.72 -1.050257605e-01 -1.050257605e-01 4.74 -9.956817434e-02 -9.956817434e-02 4.76 -9.430155537e-02 -9.430155537e-02 4.78 -8.920180241e-02 -8.920180241e-02 4.80 -8.424832811e-02 -8.424832811e-02 4.82 -7.942435499e-02 -7.942435499e-02 4.84 -7.471710745e-02 -7.471710745e-02 4.86 -7.011792366e-02 -7.011792366e-02 4.88 -6.562225918e-02 -6.562225918e-02 4.90 -6.122957517e-02 -6.122957517e-02 4.92 -5.694309334e-02 -5.694309334e-02 4.94 -5.276940505e-02 -5.276940505e-02 4.96 -4.871793039e-02 -4.871793039e-02 4.98 -4.480023719e-02 -4.480023719e-02 5.00 -4.102924582e-02 -4.102924582e-02 5.02 -3.741836208e-02 -3.741836208e-02 5.04 -3.398059380e-02 -3.398059380e-02 5.06 -3.072771342e-02 -3.072771342e-02 5.08 -2.766952830e-02 -2.766952830e-02 5.10 -2.481330905e-02 -2.481330905e-02 5.12 -2.216341017e-02 -2.216341017e-02 5.14 -1.972110246e-02 -1.972110246e-02 5.16 -1.748460405e-02 -1.748460405e-02 5.18 -1.544928627e-02 -1.544928627e-02 5.20 -1.360782364e-02 -1.360782364e-02 5.22 -1.195071463e-02 -1.195071463e-02 5.24 -1.046748288e-02 -1.046748288e-02 5.26 -9.146434839e-03 -9.146434839e-03 5.28 -7.975124840e-03 -7.975124840e-03 5.30 -6.940797923e-03 -6.940797923e-03 5.32 -6.030759728e-03 -6.030759728e-03 5.34 -5.232669553e-03 -5.232669553e-03 5.36 -4.534759239e-03 -4.534759239e-03 5.38 -3.925984909e-03 -3.925984909e-03 5.40 -3.396121013e-03 -3.396121013e-03 5.42 -2.935807043e-03 -2.935807043e-03 5.44 -2.536557113e-03 -2.536557113e-03 5.46 -2.190741716e-03 -2.190741716e-03 5.48 -1.891549747e-03 -1.891549747e-03 5.50 -1.632937508e-03 -1.632937508e-03 5.52 -1.409570026e-03 -1.409570026e-03 5.54 -1.216758832e-03 -1.216758832e-03 5.56 -1.050399225e-03 -1.050399225e-03 5.58 -9.069091885e-04 -9.069091885e-04 5.60 -7.831714112e-04 -7.831714112e-04 5.62 -6.764792939e-04 -6.764792939e-04 5.64 -5.844874306e-04 -5.844874306e-04 5.66 -5.051667269e-04 -5.051667269e-04 5.68 -4.367641184e-04 -4.367641184e-04 5.70 -3.777667027e-04 -3.777667027e-04 5.72 -3.268700116e-04 -3.268700116e-04 5.74 -2.829500957e-04 -2.829500957e-04 5.76 -2.450390768e-04 -2.450390768e-04 5.78 -2.123038164e-04 -2.123038164e-04 5.80 -1.840273638e-04 -1.840273638e-04 5.82 -1.595928619e-04 -1.595928619e-04 5.84 -1.384696180e-04 -1.384696180e-04 5.86 -1.202010685e-04 -1.202010685e-04 5.88 -1.043943972e-04 -1.043943972e-04 5.90 -9.071158990e-05 -9.071158990e-05 5.92 -7.886173463e-05 -7.886173463e-05 5.94 -6.859439973e-05 -6.859439973e-05 5.96 -5.969394175e-05 -5.969394175e-05 5.98 -5.197461550e-05 -5.197461550e-05 6.00 -4.527637430e-05 -4.527637430e-05